----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:47:48]------------------------- 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: [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.305600129999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.455182859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.790841580000001 Atomic positions (fractional): *1 Zr 0.88097517039044 0.75000000000000 0.75077971462647 91.224 2 Zr 0.38097517039044 0.75000000000000 0.74922028537353 91.224 3 Zr 0.11902482960956 0.25000000000000 0.24922028537353 91.224 4 Zr 0.61902482960956 0.25000000000000 0.25077971462647 91.224 *5 O 0.21600351004631 0.75000000000000 0.40333113365191 15.999 6 O 0.71600351004631 0.75000000000000 0.09666886634809 15.999 *7 O 0.47387319610836 0.75000000000000 0.25980784592579 15.999 8 O 0.97387319610836 0.75000000000000 0.24019215407421 15.999 9 O 0.52612680389164 0.25000000000000 0.74019215407421 15.999 10 O 0.02612680389164 0.25000000000000 0.75980784592579 15.999 11 O 0.78399648995369 0.25000000000000 0.59666886634809 15.999 12 O 0.28399648995369 0.25000000000000 0.90333113365191 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.305600129999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.455182859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.790841580000001 Atomic positions (fractional): *1 Zr 0.88097517039044 0.75000000000000 0.75077971462647 91.224 > 1 2 Zr 0.38097517039044 0.75000000000000 0.74922028537353 91.224 > 2 3 Zr 0.11902482960956 0.25000000000000 0.24922028537353 91.224 > 3 4 Zr 0.61902482960956 0.25000000000000 0.25077971462647 91.224 > 4 *5 O 0.21600351004631 0.75000000000000 0.40333113365191 15.999 > 5 6 O 0.71600351004631 0.75000000000000 0.09666886634809 15.999 > 6 *7 O 0.47387319610836 0.75000000000000 0.25980784592579 15.999 > 7 8 O 0.97387319610836 0.75000000000000 0.24019215407421 15.999 > 8 9 O 0.52612680389164 0.25000000000000 0.74019215407421 15.999 > 9 10 O 0.02612680389164 0.25000000000000 0.75980784592579 15.999 > 10 11 O 0.78399648995369 0.25000000000000 0.59666886634809 15.999 > 11 12 O 0.28399648995369 0.25000000000000 0.90333113365191 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.305600129999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.365548579999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.372524740000003 Atomic positions (fractional): *1 Zr 0.88097517039044 0.25000000000000 0.25025990487549 91.224 > 1 2 Zr 0.88097517039044 0.58333333333333 0.25025990487549 91.224 > 1 3 Zr 0.88097517039044 0.91666666666667 0.25025990487549 91.224 > 1 4 Zr 0.88097517039044 0.25000000000000 0.58359323820882 91.224 > 1 5 Zr 0.88097517039044 0.58333333333333 0.58359323820882 91.224 > 1 6 Zr 0.88097517039044 0.91666666666667 0.58359323820882 91.224 > 1 7 Zr 0.88097517039044 0.25000000000000 0.91692657154216 91.224 > 1 8 Zr 0.88097517039044 0.58333333333333 0.91692657154216 91.224 > 1 9 Zr 0.88097517039044 0.91666666666667 0.91692657154216 91.224 > 1 10 Zr 0.38097517039044 0.25000000000000 0.24974009512451 91.224 > 2 11 Zr 0.38097517039044 0.58333333333333 0.24974009512451 91.224 > 2 12 Zr 0.38097517039044 0.91666666666667 0.24974009512451 91.224 > 2 13 Zr 0.38097517039044 0.25000000000000 0.58307342845784 91.224 > 2 14 Zr 0.38097517039044 0.58333333333333 0.58307342845784 91.224 > 2 15 Zr 0.38097517039044 0.91666666666667 0.58307342845784 91.224 > 2 16 Zr 0.38097517039044 0.25000000000000 0.91640676179118 91.224 > 2 17 Zr 0.38097517039044 0.58333333333333 0.91640676179118 91.224 > 2 18 Zr 0.38097517039044 0.91666666666667 0.91640676179118 91.224 > 2 19 Zr 0.11902482960956 0.08333333333333 0.08307342845784 91.224 > 3 20 Zr 0.11902482960956 0.41666666666667 0.08307342845784 91.224 > 3 21 Zr 0.11902482960956 0.75000000000000 0.08307342845784 91.224 > 3 22 Zr 0.11902482960956 0.08333333333333 0.41640676179118 91.224 > 3 23 Zr 0.11902482960956 0.41666666666667 0.41640676179118 91.224 > 3 24 Zr 0.11902482960956 0.75000000000000 0.41640676179118 91.224 > 3 25 Zr 0.11902482960956 0.08333333333333 0.74974009512451 91.224 > 3 26 Zr 0.11902482960956 0.41666666666667 0.74974009512451 91.224 > 3 27 Zr 0.11902482960956 0.75000000000000 0.74974009512451 91.224 > 3 28 Zr 0.61902482960956 0.08333333333333 0.08359323820882 91.224 > 4 29 Zr 0.61902482960956 0.41666666666667 0.08359323820882 91.224 > 4 30 Zr 0.61902482960956 0.75000000000000 0.08359323820882 91.224 > 4 31 Zr 0.61902482960956 0.08333333333333 0.41692657154216 91.224 > 4 32 Zr 0.61902482960956 0.41666666666667 0.41692657154216 91.224 > 4 33 Zr 0.61902482960956 0.75000000000000 0.41692657154216 91.224 > 4 34 Zr 0.61902482960956 0.08333333333333 0.75025990487549 91.224 > 4 35 Zr 0.61902482960956 0.41666666666667 0.75025990487549 91.224 > 4 36 Zr 0.61902482960956 0.75000000000000 0.75025990487549 91.224 > 4 *37 O 0.21600351004631 0.25000000000000 0.13444371121730 15.999 > 5 38 O 0.21600351004631 0.58333333333333 0.13444371121730 15.999 > 5 39 O 0.21600351004631 0.91666666666667 0.13444371121730 15.999 > 5 40 O 0.21600351004631 0.25000000000000 0.46777704455064 15.999 > 5 41 O 0.21600351004631 0.58333333333333 0.46777704455064 15.999 > 5 42 O 0.21600351004631 0.91666666666667 0.46777704455064 15.999 > 5 43 O 0.21600351004631 0.25000000000000 0.80111037788397 15.999 > 5 44 O 0.21600351004631 0.58333333333333 0.80111037788397 15.999 > 5 45 O 0.21600351004631 0.91666666666667 0.80111037788397 15.999 > 5 46 O 0.71600351004631 0.25000000000000 0.03222295544936 15.999 > 6 47 O 0.71600351004631 0.58333333333333 0.03222295544936 15.999 > 6 48 O 0.71600351004631 0.91666666666667 0.03222295544936 15.999 > 6 49 O 0.71600351004631 0.25000000000000 0.36555628878270 15.999 > 6 50 O 0.71600351004631 0.58333333333333 0.36555628878270 15.999 > 6 51 O 0.71600351004631 0.91666666666667 0.36555628878270 15.999 > 6 52 O 0.71600351004631 0.25000000000000 0.69888962211603 15.999 > 6 53 O 0.71600351004631 0.58333333333333 0.69888962211603 15.999 > 6 54 O 0.71600351004631 0.91666666666667 0.69888962211603 15.999 > 6 *55 O 0.47387319610836 0.25000000000000 0.08660261530860 15.999 > 7 56 O 0.47387319610836 0.58333333333333 0.08660261530860 15.999 > 7 57 O 0.47387319610836 0.91666666666667 0.08660261530860 15.999 > 7 58 O 0.47387319610836 0.25000000000000 0.41993594864193 15.999 > 7 59 O 0.47387319610836 0.58333333333333 0.41993594864193 15.999 > 7 60 O 0.47387319610836 0.91666666666667 0.41993594864193 15.999 > 7 61 O 0.47387319610836 0.25000000000000 0.75326928197526 15.999 > 7 62 O 0.47387319610836 0.58333333333333 0.75326928197526 15.999 > 7 63 O 0.47387319610836 0.91666666666667 0.75326928197526 15.999 > 7 64 O 0.97387319610836 0.25000000000000 0.08006405135807 15.999 > 8 65 O 0.97387319610836 0.58333333333333 0.08006405135807 15.999 > 8 66 O 0.97387319610836 0.91666666666667 0.08006405135807 15.999 > 8 67 O 0.97387319610836 0.25000000000000 0.41339738469140 15.999 > 8 68 O 0.97387319610836 0.58333333333333 0.41339738469140 15.999 > 8 69 O 0.97387319610836 0.91666666666667 0.41339738469140 15.999 > 8 70 O 0.97387319610836 0.25000000000000 0.74673071802474 15.999 > 8 71 O 0.97387319610836 0.58333333333333 0.74673071802474 15.999 > 8 72 O 0.97387319610836 0.91666666666667 0.74673071802474 15.999 > 8 73 O 0.52612680389164 0.08333333333333 0.24673071802474 15.999 > 9 74 O 0.52612680389164 0.41666666666667 0.24673071802474 15.999 > 9 75 O 0.52612680389164 0.75000000000000 0.24673071802474 15.999 > 9 76 O 0.52612680389164 0.08333333333333 0.58006405135807 15.999 > 9 77 O 0.52612680389164 0.41666666666667 0.58006405135807 15.999 > 9 78 O 0.52612680389164 0.75000000000000 0.58006405135807 15.999 > 9 79 O 0.52612680389164 0.08333333333333 0.91339738469140 15.999 > 9 80 O 0.52612680389164 0.41666666666667 0.91339738469140 15.999 > 9 81 O 0.52612680389164 0.75000000000000 0.91339738469140 15.999 > 9 82 O 0.02612680389164 0.08333333333333 0.25326928197526 15.999 > 10 83 O 0.02612680389164 0.41666666666667 0.25326928197526 15.999 > 10 84 O 0.02612680389164 0.75000000000000 0.25326928197526 15.999 > 10 85 O 0.02612680389164 0.08333333333333 0.58660261530860 15.999 > 10 86 O 0.02612680389164 0.41666666666667 0.58660261530860 15.999 > 10 87 O 0.02612680389164 0.75000000000000 0.58660261530860 15.999 > 10 88 O 0.02612680389164 0.08333333333333 0.91993594864193 15.999 > 10 89 O 0.02612680389164 0.41666666666667 0.91993594864193 15.999 > 10 90 O 0.02612680389164 0.75000000000000 0.91993594864193 15.999 > 10 91 O 0.78399648995369 0.08333333333333 0.19888962211603 15.999 > 11 92 O 0.78399648995369 0.41666666666667 0.19888962211603 15.999 > 11 93 O 0.78399648995369 0.75000000000000 0.19888962211603 15.999 > 11 94 O 0.78399648995369 0.08333333333333 0.53222295544936 15.999 > 11 95 O 0.78399648995369 0.41666666666667 0.53222295544936 15.999 > 11 96 O 0.78399648995369 0.75000000000000 0.53222295544936 15.999 > 11 97 O 0.78399648995369 0.08333333333333 0.86555628878270 15.999 > 11 98 O 0.78399648995369 0.41666666666667 0.86555628878270 15.999 > 11 99 O 0.78399648995369 0.75000000000000 0.86555628878270 15.999 > 11 100 O 0.28399648995369 0.08333333333333 0.30111037788397 15.999 > 12 101 O 0.28399648995369 0.41666666666667 0.30111037788397 15.999 > 12 102 O 0.28399648995369 0.75000000000000 0.30111037788397 15.999 > 12 103 O 0.28399648995369 0.08333333333333 0.63444371121730 15.999 > 12 104 O 0.28399648995369 0.41666666666667 0.63444371121730 15.999 > 12 105 O 0.28399648995369 0.75000000000000 0.63444371121730 15.999 > 12 106 O 0.28399648995369 0.08333333333333 0.96777704455064 15.999 > 12 107 O 0.28399648995369 0.41666666666667 0.96777704455064 15.999 > 12 108 O 0.28399648995369 0.75000000000000 0.96777704455064 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3406226 0.0000000 0.0000000 0.0000000 5.6369187 0.0000000 0.0000000 0.0000000 5.5200597 -------------------------- Born effective charges -------------------------- 1 Zr 5.1843377 0.0000000 -0.1004850 0.0000000 5.6176329 0.0000000 -0.3391655 0.0000000 5.3443645 2 Zr 5.1843377 0.0000000 0.1004850 0.0000000 5.6176329 0.0000000 0.3391655 0.0000000 5.3443645 3 Zr 5.1843377 0.0000000 -0.1004850 0.0000000 5.6176329 0.0000000 -0.3391655 0.0000000 5.3443645 4 Zr 5.1843377 0.0000000 0.1004850 0.0000000 5.6176329 0.0000000 0.3391655 0.0000000 5.3443645 5 O -2.7440623 0.0000000 -0.8617083 0.0000000 -3.3862643 0.0000000 -0.9330008 0.0000000 -2.0811380 6 O -2.7440623 0.0000000 0.8617083 0.0000000 -3.3862643 0.0000000 0.9330008 0.0000000 -2.0811380 7 O -2.4402754 0.0000000 0.0791115 0.0000000 -2.2313686 0.0000000 0.0524983 0.0000000 -3.2632264 8 O -2.4402754 0.0000000 -0.0791115 0.0000000 -2.2313686 0.0000000 -0.0524983 0.0000000 -3.2632264 9 O -2.4402754 0.0000000 0.0791115 0.0000000 -2.2313686 0.0000000 0.0524983 0.0000000 -3.2632264 10 O -2.4402754 0.0000000 -0.0791115 0.0000000 -2.2313686 0.0000000 -0.0524983 0.0000000 -3.2632264 11 O -2.7440623 0.0000000 -0.8617083 0.0000000 -3.3862643 0.0000000 -0.9330008 0.0000000 -2.0811380 12 O -2.7440623 0.0000000 0.8617083 0.0000000 -3.3862643 0.0000000 0.9330008 0.0000000 -2.0811380 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 6246/6246 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 828 Number of blocks in projector: 828 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (828, 813), data: False |-- (108, 108), data: True |-- (108, 108), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (216, 210), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.791 Solver_block: 200 / 240 - Time: 0.772 Solver_block: 240 / 240 - Time: 0.374 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.951 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 6246/6246 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 828 Number of blocks in projector: 828 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (828, 813), data: False |-- (108, 108), data: True |-- (108, 108), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (216, 210), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:48:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:48:01]------------------------- 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): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.305600129999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.455182859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.790841580000001 Atomic positions (fractional): 1 Zr 0.88097517039044 0.75000000000000 0.75077971462647 91.224 2 Zr 0.38097517039044 0.75000000000000 0.74922028537353 91.224 3 Zr 0.11902482960956 0.25000000000000 0.24922028537353 91.224 4 Zr 0.61902482960956 0.25000000000000 0.25077971462647 91.224 5 O 0.21600351004631 0.75000000000000 0.40333113365191 15.999 6 O 0.71600351004631 0.75000000000000 0.09666886634809 15.999 7 O 0.47387319610836 0.75000000000000 0.25980784592579 15.999 8 O 0.97387319610836 0.75000000000000 0.24019215407421 15.999 9 O 0.52612680389164 0.25000000000000 0.74019215407421 15.999 10 O 0.02612680389164 0.25000000000000 0.75980784592579 15.999 11 O 0.78399648995369 0.25000000000000 0.59666886634809 15.999 12 O 0.28399648995369 0.25000000000000 0.90333113365191 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.305600129999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.365548579999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.372524740000003 Atomic positions (fractional): 1 Zr 0.88097517039044 0.25000000000000 0.25025990487549 91.224 > 1 2 Zr 0.88097517039044 0.58333333333333 0.25025990487549 91.224 > 1 3 Zr 0.88097517039044 0.91666666666667 0.25025990487549 91.224 > 1 4 Zr 0.88097517039044 0.25000000000000 0.58359323820882 91.224 > 1 5 Zr 0.88097517039044 0.58333333333333 0.58359323820882 91.224 > 1 6 Zr 0.88097517039044 0.91666666666667 0.58359323820882 91.224 > 1 7 Zr 0.88097517039044 0.25000000000000 0.91692657154216 91.224 > 1 8 Zr 0.88097517039044 0.58333333333333 0.91692657154216 91.224 > 1 9 Zr 0.88097517039044 0.91666666666667 0.91692657154216 91.224 > 1 10 Zr 0.38097517039044 0.25000000000000 0.24974009512451 91.224 > 10 11 Zr 0.38097517039044 0.58333333333333 0.24974009512451 91.224 > 10 12 Zr 0.38097517039044 0.91666666666667 0.24974009512451 91.224 > 10 13 Zr 0.38097517039044 0.25000000000000 0.58307342845784 91.224 > 10 14 Zr 0.38097517039044 0.58333333333333 0.58307342845784 91.224 > 10 15 Zr 0.38097517039044 0.91666666666667 0.58307342845784 91.224 > 10 16 Zr 0.38097517039044 0.25000000000000 0.91640676179118 91.224 > 10 17 Zr 0.38097517039044 0.58333333333333 0.91640676179118 91.224 > 10 18 Zr 0.38097517039044 0.91666666666667 0.91640676179118 91.224 > 10 19 Zr 0.11902482960956 0.08333333333333 0.08307342845784 91.224 > 19 20 Zr 0.11902482960956 0.41666666666667 0.08307342845784 91.224 > 19 21 Zr 0.11902482960956 0.75000000000000 0.08307342845784 91.224 > 19 22 Zr 0.11902482960956 0.08333333333333 0.41640676179118 91.224 > 19 23 Zr 0.11902482960956 0.41666666666667 0.41640676179118 91.224 > 19 24 Zr 0.11902482960956 0.75000000000000 0.41640676179118 91.224 > 19 25 Zr 0.11902482960956 0.08333333333333 0.74974009512451 91.224 > 19 26 Zr 0.11902482960956 0.41666666666667 0.74974009512451 91.224 > 19 27 Zr 0.11902482960956 0.75000000000000 0.74974009512451 91.224 > 19 28 Zr 0.61902482960956 0.08333333333333 0.08359323820882 91.224 > 28 29 Zr 0.61902482960956 0.41666666666667 0.08359323820882 91.224 > 28 30 Zr 0.61902482960956 0.75000000000000 0.08359323820882 91.224 > 28 31 Zr 0.61902482960956 0.08333333333333 0.41692657154216 91.224 > 28 32 Zr 0.61902482960956 0.41666666666667 0.41692657154216 91.224 > 28 33 Zr 0.61902482960956 0.75000000000000 0.41692657154216 91.224 > 28 34 Zr 0.61902482960956 0.08333333333333 0.75025990487549 91.224 > 28 35 Zr 0.61902482960956 0.41666666666667 0.75025990487549 91.224 > 28 36 Zr 0.61902482960956 0.75000000000000 0.75025990487549 91.224 > 28 37 O 0.21600351004631 0.25000000000000 0.13444371121730 15.999 > 37 38 O 0.21600351004631 0.58333333333333 0.13444371121730 15.999 > 37 39 O 0.21600351004631 0.91666666666667 0.13444371121730 15.999 > 37 40 O 0.21600351004631 0.25000000000000 0.46777704455064 15.999 > 37 41 O 0.21600351004631 0.58333333333333 0.46777704455064 15.999 > 37 42 O 0.21600351004631 0.91666666666667 0.46777704455064 15.999 > 37 43 O 0.21600351004631 0.25000000000000 0.80111037788397 15.999 > 37 44 O 0.21600351004631 0.58333333333333 0.80111037788397 15.999 > 37 45 O 0.21600351004631 0.91666666666667 0.80111037788397 15.999 > 37 46 O 0.71600351004631 0.25000000000000 0.03222295544936 15.999 > 46 47 O 0.71600351004631 0.58333333333333 0.03222295544936 15.999 > 46 48 O 0.71600351004631 0.91666666666667 0.03222295544936 15.999 > 46 49 O 0.71600351004631 0.25000000000000 0.36555628878270 15.999 > 46 50 O 0.71600351004631 0.58333333333333 0.36555628878270 15.999 > 46 51 O 0.71600351004631 0.91666666666667 0.36555628878270 15.999 > 46 52 O 0.71600351004631 0.25000000000000 0.69888962211603 15.999 > 46 53 O 0.71600351004631 0.58333333333333 0.69888962211603 15.999 > 46 54 O 0.71600351004631 0.91666666666667 0.69888962211603 15.999 > 46 55 O 0.47387319610836 0.25000000000000 0.08660261530860 15.999 > 55 56 O 0.47387319610836 0.58333333333333 0.08660261530860 15.999 > 55 57 O 0.47387319610836 0.91666666666667 0.08660261530860 15.999 > 55 58 O 0.47387319610836 0.25000000000000 0.41993594864193 15.999 > 55 59 O 0.47387319610836 0.58333333333333 0.41993594864193 15.999 > 55 60 O 0.47387319610836 0.91666666666667 0.41993594864193 15.999 > 55 61 O 0.47387319610836 0.25000000000000 0.75326928197526 15.999 > 55 62 O 0.47387319610836 0.58333333333333 0.75326928197526 15.999 > 55 63 O 0.47387319610836 0.91666666666667 0.75326928197526 15.999 > 55 64 O 0.97387319610836 0.25000000000000 0.08006405135807 15.999 > 64 65 O 0.97387319610836 0.58333333333333 0.08006405135807 15.999 > 64 66 O 0.97387319610836 0.91666666666667 0.08006405135807 15.999 > 64 67 O 0.97387319610836 0.25000000000000 0.41339738469140 15.999 > 64 68 O 0.97387319610836 0.58333333333333 0.41339738469140 15.999 > 64 69 O 0.97387319610836 0.91666666666667 0.41339738469140 15.999 > 64 70 O 0.97387319610836 0.25000000000000 0.74673071802474 15.999 > 64 71 O 0.97387319610836 0.58333333333333 0.74673071802474 15.999 > 64 72 O 0.97387319610836 0.91666666666667 0.74673071802474 15.999 > 64 73 O 0.52612680389164 0.08333333333333 0.24673071802474 15.999 > 73 74 O 0.52612680389164 0.41666666666667 0.24673071802474 15.999 > 73 75 O 0.52612680389164 0.75000000000000 0.24673071802474 15.999 > 73 76 O 0.52612680389164 0.08333333333333 0.58006405135807 15.999 > 73 77 O 0.52612680389164 0.41666666666667 0.58006405135807 15.999 > 73 78 O 0.52612680389164 0.75000000000000 0.58006405135807 15.999 > 73 79 O 0.52612680389164 0.08333333333333 0.91339738469140 15.999 > 73 80 O 0.52612680389164 0.41666666666667 0.91339738469140 15.999 > 73 81 O 0.52612680389164 0.75000000000000 0.91339738469140 15.999 > 73 82 O 0.02612680389164 0.08333333333333 0.25326928197526 15.999 > 82 83 O 0.02612680389164 0.41666666666667 0.25326928197526 15.999 > 82 84 O 0.02612680389164 0.75000000000000 0.25326928197526 15.999 > 82 85 O 0.02612680389164 0.08333333333333 0.58660261530860 15.999 > 82 86 O 0.02612680389164 0.41666666666667 0.58660261530860 15.999 > 82 87 O 0.02612680389164 0.75000000000000 0.58660261530860 15.999 > 82 88 O 0.02612680389164 0.08333333333333 0.91993594864193 15.999 > 82 89 O 0.02612680389164 0.41666666666667 0.91993594864193 15.999 > 82 90 O 0.02612680389164 0.75000000000000 0.91993594864193 15.999 > 82 91 O 0.78399648995369 0.08333333333333 0.19888962211603 15.999 > 91 92 O 0.78399648995369 0.41666666666667 0.19888962211603 15.999 > 91 93 O 0.78399648995369 0.75000000000000 0.19888962211603 15.999 > 91 94 O 0.78399648995369 0.08333333333333 0.53222295544936 15.999 > 91 95 O 0.78399648995369 0.41666666666667 0.53222295544936 15.999 > 91 96 O 0.78399648995369 0.75000000000000 0.53222295544936 15.999 > 91 97 O 0.78399648995369 0.08333333333333 0.86555628878270 15.999 > 91 98 O 0.78399648995369 0.41666666666667 0.86555628878270 15.999 > 91 99 O 0.78399648995369 0.75000000000000 0.86555628878270 15.999 > 91 100 O 0.28399648995369 0.08333333333333 0.30111037788397 15.999 > 100 101 O 0.28399648995369 0.41666666666667 0.30111037788397 15.999 > 100 102 O 0.28399648995369 0.75000000000000 0.30111037788397 15.999 > 100 103 O 0.28399648995369 0.08333333333333 0.63444371121730 15.999 > 100 104 O 0.28399648995369 0.41666666666667 0.63444371121730 15.999 > 100 105 O 0.28399648995369 0.75000000000000 0.63444371121730 15.999 > 100 106 O 0.28399648995369 0.08333333333333 0.96777704455064 15.999 > 100 107 O 0.28399648995369 0.41666666666667 0.96777704455064 15.999 > 100 108 O 0.28399648995369 0.75000000000000 0.96777704455064 15.999 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3406226 0.0000000 0.0000000 0.0000000 5.6369187 0.0000000 0.0000000 0.0000000 5.5200597 -------------------------- Born effective charges -------------------------- 1 Zr 5.1843377 0.0000000 -0.1004850 0.0000000 5.6176329 0.0000000 -0.3391655 0.0000000 5.3443645 2 Zr 5.1843377 0.0000000 0.1004850 0.0000000 5.6176329 0.0000000 0.3391655 0.0000000 5.3443645 3 Zr 5.1843377 0.0000000 -0.1004850 0.0000000 5.6176329 0.0000000 -0.3391655 0.0000000 5.3443645 4 Zr 5.1843377 0.0000000 0.1004850 0.0000000 5.6176329 0.0000000 0.3391655 0.0000000 5.3443645 5 O -2.7440623 0.0000000 -0.8617083 0.0000000 -3.3862643 0.0000000 -0.9330008 0.0000000 -2.0811380 6 O -2.7440623 0.0000000 0.8617083 0.0000000 -3.3862643 0.0000000 0.9330008 0.0000000 -2.0811380 7 O -2.4402754 0.0000000 0.0791115 0.0000000 -2.2313686 0.0000000 0.0524983 0.0000000 -3.2632264 8 O -2.4402754 0.0000000 -0.0791115 0.0000000 -2.2313686 0.0000000 -0.0524983 0.0000000 -3.2632264 9 O -2.4402754 0.0000000 0.0791115 0.0000000 -2.2313686 0.0000000 0.0524983 0.0000000 -3.2632264 10 O -2.4402754 0.0000000 -0.0791115 0.0000000 -2.2313686 0.0000000 -0.0524983 0.0000000 -3.2632264 11 O -2.7440623 0.0000000 -0.8617083 0.0000000 -3.3862643 0.0000000 -0.9330008 0.0000000 -2.0811380 12 O -2.7440623 0.0000000 0.8617083 0.0000000 -3.3862643 0.0000000 0.9330008 0.0000000 -2.0811380 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:48:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:48:11]------------------------- 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): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.305600129999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.455182859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.790841580000001 Atomic positions (fractional): 1 Zr 0.88097517039044 0.75000000000000 0.75077971462647 91.224 2 Zr 0.38097517039044 0.75000000000000 0.74922028537353 91.224 3 Zr 0.11902482960956 0.25000000000000 0.24922028537353 91.224 4 Zr 0.61902482960956 0.25000000000000 0.25077971462647 91.224 5 O 0.21600351004631 0.75000000000000 0.40333113365191 15.999 6 O 0.71600351004631 0.75000000000000 0.09666886634809 15.999 7 O 0.47387319610836 0.75000000000000 0.25980784592579 15.999 8 O 0.97387319610836 0.75000000000000 0.24019215407421 15.999 9 O 0.52612680389164 0.25000000000000 0.74019215407421 15.999 10 O 0.02612680389164 0.25000000000000 0.75980784592579 15.999 11 O 0.78399648995369 0.25000000000000 0.59666886634809 15.999 12 O 0.28399648995369 0.25000000000000 0.90333113365191 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.305600129999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.365548579999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.372524740000003 Atomic positions (fractional): 1 Zr 0.88097517039044 0.25000000000000 0.25025990487549 91.224 > 1 2 Zr 0.88097517039044 0.58333333333333 0.25025990487549 91.224 > 1 3 Zr 0.88097517039044 0.91666666666667 0.25025990487549 91.224 > 1 4 Zr 0.88097517039044 0.25000000000000 0.58359323820882 91.224 > 1 5 Zr 0.88097517039044 0.58333333333333 0.58359323820882 91.224 > 1 6 Zr 0.88097517039044 0.91666666666667 0.58359323820882 91.224 > 1 7 Zr 0.88097517039044 0.25000000000000 0.91692657154216 91.224 > 1 8 Zr 0.88097517039044 0.58333333333333 0.91692657154216 91.224 > 1 9 Zr 0.88097517039044 0.91666666666667 0.91692657154216 91.224 > 1 10 Zr 0.38097517039044 0.25000000000000 0.24974009512451 91.224 > 10 11 Zr 0.38097517039044 0.58333333333333 0.24974009512451 91.224 > 10 12 Zr 0.38097517039044 0.91666666666667 0.24974009512451 91.224 > 10 13 Zr 0.38097517039044 0.25000000000000 0.58307342845784 91.224 > 10 14 Zr 0.38097517039044 0.58333333333333 0.58307342845784 91.224 > 10 15 Zr 0.38097517039044 0.91666666666667 0.58307342845784 91.224 > 10 16 Zr 0.38097517039044 0.25000000000000 0.91640676179118 91.224 > 10 17 Zr 0.38097517039044 0.58333333333333 0.91640676179118 91.224 > 10 18 Zr 0.38097517039044 0.91666666666667 0.91640676179118 91.224 > 10 19 Zr 0.11902482960956 0.08333333333333 0.08307342845784 91.224 > 19 20 Zr 0.11902482960956 0.41666666666667 0.08307342845784 91.224 > 19 21 Zr 0.11902482960956 0.75000000000000 0.08307342845784 91.224 > 19 22 Zr 0.11902482960956 0.08333333333333 0.41640676179118 91.224 > 19 23 Zr 0.11902482960956 0.41666666666667 0.41640676179118 91.224 > 19 24 Zr 0.11902482960956 0.75000000000000 0.41640676179118 91.224 > 19 25 Zr 0.11902482960956 0.08333333333333 0.74974009512451 91.224 > 19 26 Zr 0.11902482960956 0.41666666666667 0.74974009512451 91.224 > 19 27 Zr 0.11902482960956 0.75000000000000 0.74974009512451 91.224 > 19 28 Zr 0.61902482960956 0.08333333333333 0.08359323820882 91.224 > 28 29 Zr 0.61902482960956 0.41666666666667 0.08359323820882 91.224 > 28 30 Zr 0.61902482960956 0.75000000000000 0.08359323820882 91.224 > 28 31 Zr 0.61902482960956 0.08333333333333 0.41692657154216 91.224 > 28 32 Zr 0.61902482960956 0.41666666666667 0.41692657154216 91.224 > 28 33 Zr 0.61902482960956 0.75000000000000 0.41692657154216 91.224 > 28 34 Zr 0.61902482960956 0.08333333333333 0.75025990487549 91.224 > 28 35 Zr 0.61902482960956 0.41666666666667 0.75025990487549 91.224 > 28 36 Zr 0.61902482960956 0.75000000000000 0.75025990487549 91.224 > 28 37 O 0.21600351004631 0.25000000000000 0.13444371121730 15.999 > 37 38 O 0.21600351004631 0.58333333333333 0.13444371121730 15.999 > 37 39 O 0.21600351004631 0.91666666666667 0.13444371121730 15.999 > 37 40 O 0.21600351004631 0.25000000000000 0.46777704455064 15.999 > 37 41 O 0.21600351004631 0.58333333333333 0.46777704455064 15.999 > 37 42 O 0.21600351004631 0.91666666666667 0.46777704455064 15.999 > 37 43 O 0.21600351004631 0.25000000000000 0.80111037788397 15.999 > 37 44 O 0.21600351004631 0.58333333333333 0.80111037788397 15.999 > 37 45 O 0.21600351004631 0.91666666666667 0.80111037788397 15.999 > 37 46 O 0.71600351004631 0.25000000000000 0.03222295544936 15.999 > 46 47 O 0.71600351004631 0.58333333333333 0.03222295544936 15.999 > 46 48 O 0.71600351004631 0.91666666666667 0.03222295544936 15.999 > 46 49 O 0.71600351004631 0.25000000000000 0.36555628878270 15.999 > 46 50 O 0.71600351004631 0.58333333333333 0.36555628878270 15.999 > 46 51 O 0.71600351004631 0.91666666666667 0.36555628878270 15.999 > 46 52 O 0.71600351004631 0.25000000000000 0.69888962211603 15.999 > 46 53 O 0.71600351004631 0.58333333333333 0.69888962211603 15.999 > 46 54 O 0.71600351004631 0.91666666666667 0.69888962211603 15.999 > 46 55 O 0.47387319610836 0.25000000000000 0.08660261530860 15.999 > 55 56 O 0.47387319610836 0.58333333333333 0.08660261530860 15.999 > 55 57 O 0.47387319610836 0.91666666666667 0.08660261530860 15.999 > 55 58 O 0.47387319610836 0.25000000000000 0.41993594864193 15.999 > 55 59 O 0.47387319610836 0.58333333333333 0.41993594864193 15.999 > 55 60 O 0.47387319610836 0.91666666666667 0.41993594864193 15.999 > 55 61 O 0.47387319610836 0.25000000000000 0.75326928197526 15.999 > 55 62 O 0.47387319610836 0.58333333333333 0.75326928197526 15.999 > 55 63 O 0.47387319610836 0.91666666666667 0.75326928197526 15.999 > 55 64 O 0.97387319610836 0.25000000000000 0.08006405135807 15.999 > 64 65 O 0.97387319610836 0.58333333333333 0.08006405135807 15.999 > 64 66 O 0.97387319610836 0.91666666666667 0.08006405135807 15.999 > 64 67 O 0.97387319610836 0.25000000000000 0.41339738469140 15.999 > 64 68 O 0.97387319610836 0.58333333333333 0.41339738469140 15.999 > 64 69 O 0.97387319610836 0.91666666666667 0.41339738469140 15.999 > 64 70 O 0.97387319610836 0.25000000000000 0.74673071802474 15.999 > 64 71 O 0.97387319610836 0.58333333333333 0.74673071802474 15.999 > 64 72 O 0.97387319610836 0.91666666666667 0.74673071802474 15.999 > 64 73 O 0.52612680389164 0.08333333333333 0.24673071802474 15.999 > 73 74 O 0.52612680389164 0.41666666666667 0.24673071802474 15.999 > 73 75 O 0.52612680389164 0.75000000000000 0.24673071802474 15.999 > 73 76 O 0.52612680389164 0.08333333333333 0.58006405135807 15.999 > 73 77 O 0.52612680389164 0.41666666666667 0.58006405135807 15.999 > 73 78 O 0.52612680389164 0.75000000000000 0.58006405135807 15.999 > 73 79 O 0.52612680389164 0.08333333333333 0.91339738469140 15.999 > 73 80 O 0.52612680389164 0.41666666666667 0.91339738469140 15.999 > 73 81 O 0.52612680389164 0.75000000000000 0.91339738469140 15.999 > 73 82 O 0.02612680389164 0.08333333333333 0.25326928197526 15.999 > 82 83 O 0.02612680389164 0.41666666666667 0.25326928197526 15.999 > 82 84 O 0.02612680389164 0.75000000000000 0.25326928197526 15.999 > 82 85 O 0.02612680389164 0.08333333333333 0.58660261530860 15.999 > 82 86 O 0.02612680389164 0.41666666666667 0.58660261530860 15.999 > 82 87 O 0.02612680389164 0.75000000000000 0.58660261530860 15.999 > 82 88 O 0.02612680389164 0.08333333333333 0.91993594864193 15.999 > 82 89 O 0.02612680389164 0.41666666666667 0.91993594864193 15.999 > 82 90 O 0.02612680389164 0.75000000000000 0.91993594864193 15.999 > 82 91 O 0.78399648995369 0.08333333333333 0.19888962211603 15.999 > 91 92 O 0.78399648995369 0.41666666666667 0.19888962211603 15.999 > 91 93 O 0.78399648995369 0.75000000000000 0.19888962211603 15.999 > 91 94 O 0.78399648995369 0.08333333333333 0.53222295544936 15.999 > 91 95 O 0.78399648995369 0.41666666666667 0.53222295544936 15.999 > 91 96 O 0.78399648995369 0.75000000000000 0.53222295544936 15.999 > 91 97 O 0.78399648995369 0.08333333333333 0.86555628878270 15.999 > 91 98 O 0.78399648995369 0.41666666666667 0.86555628878270 15.999 > 91 99 O 0.78399648995369 0.75000000000000 0.86555628878270 15.999 > 91 100 O 0.28399648995369 0.08333333333333 0.30111037788397 15.999 > 100 101 O 0.28399648995369 0.41666666666667 0.30111037788397 15.999 > 100 102 O 0.28399648995369 0.75000000000000 0.30111037788397 15.999 > 100 103 O 0.28399648995369 0.08333333333333 0.63444371121730 15.999 > 100 104 O 0.28399648995369 0.41666666666667 0.63444371121730 15.999 > 100 105 O 0.28399648995369 0.75000000000000 0.63444371121730 15.999 > 100 106 O 0.28399648995369 0.08333333333333 0.96777704455064 15.999 > 100 107 O 0.28399648995369 0.41666666666667 0.96777704455064 15.999 > 100 108 O 0.28399648995369 0.75000000000000 0.96777704455064 15.999 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3406226 0.0000000 0.0000000 0.0000000 5.6369187 0.0000000 0.0000000 0.0000000 5.5200597 -------------------------- Born effective charges -------------------------- 1 Zr 5.1843377 0.0000000 -0.1004850 0.0000000 5.6176329 0.0000000 -0.3391655 0.0000000 5.3443645 2 Zr 5.1843377 0.0000000 0.1004850 0.0000000 5.6176329 0.0000000 0.3391655 0.0000000 5.3443645 3 Zr 5.1843377 0.0000000 -0.1004850 0.0000000 5.6176329 0.0000000 -0.3391655 0.0000000 5.3443645 4 Zr 5.1843377 0.0000000 0.1004850 0.0000000 5.6176329 0.0000000 0.3391655 0.0000000 5.3443645 5 O -2.7440623 0.0000000 -0.8617083 0.0000000 -3.3862643 0.0000000 -0.9330008 0.0000000 -2.0811380 6 O -2.7440623 0.0000000 0.8617083 0.0000000 -3.3862643 0.0000000 0.9330008 0.0000000 -2.0811380 7 O -2.4402754 0.0000000 0.0791115 0.0000000 -2.2313686 0.0000000 0.0524983 0.0000000 -3.2632264 8 O -2.4402754 0.0000000 -0.0791115 0.0000000 -2.2313686 0.0000000 -0.0524983 0.0000000 -3.2632264 9 O -2.4402754 0.0000000 0.0791115 0.0000000 -2.2313686 0.0000000 0.0524983 0.0000000 -3.2632264 10 O -2.4402754 0.0000000 -0.0791115 0.0000000 -2.2313686 0.0000000 -0.0524983 0.0000000 -3.2632264 11 O -2.7440623 0.0000000 -0.8617083 0.0000000 -3.3862643 0.0000000 -0.9330008 0.0000000 -2.0811380 12 O -2.7440623 0.0000000 0.8617083 0.0000000 -3.3862643 0.0000000 0.9330008 0.0000000 -2.0811380 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 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: 0.81, Number of G-points: 299, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 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 3.029 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 7.070 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 12.265 ( 0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 12.651 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.645 ( 0.000 0.000 0.000) 0.000 14.189 ( 0.000 0.000 0.000) 0.000 15.364 ( 0.000 0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 16.960 ( 0.000 0.000 0.000) 0.000 16.996 ( 0.000 0.000 0.000) 0.000 18.628 ( 0.000 0.000 0.000) 0.000 18.841 ( 0.000 0.000 0.000) 0.000 18.857 ( 0.000 0.000 0.000) 0.000 19.956 ( 0.000 0.000 0.000) 0.000 21.590 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 37.526 0.000 0.000) 37.526 0.782 ( 39.975 0.000 0.000) 39.975 1.513 ( 76.677 0.000 0.000) 76.677 2.698 ( -26.611 0.000 0.000) 26.611 2.964 ( -31.022 0.000 0.000) 31.022 3.859 ( 17.560 0.000 0.000) 17.560 4.016 ( 21.758 0.000 0.000) 21.758 4.579 ( -5.208 0.000 0.000) 5.208 4.800 ( -5.554 0.000 0.000) 5.554 5.624 ( 4.476 0.000 0.000) 4.476 5.751 ( -54.298 0.000 0.000) 54.298 5.991 ( -13.991 0.000 0.000) 13.991 7.333 ( 0.428 0.000 0.000) 0.428 7.369 ( -0.409 0.000 0.000) 0.409 8.023 ( 47.984 0.000 0.000) 47.984 9.841 ( -12.189 0.000 0.000) 12.189 9.964 ( 17.389 0.000 0.000) 17.389 11.079 ( -6.527 0.000 0.000) 6.527 12.069 ( 3.683 0.000 0.000) 3.683 12.294 ( 2.951 0.000 0.000) 2.951 12.600 ( -4.733 0.000 0.000) 4.733 12.697 ( -0.146 0.000 0.000) 0.146 12.867 ( -1.239 0.000 0.000) 1.239 13.233 ( -28.570 0.000 0.000) 28.570 13.357 ( 4.248 0.000 0.000) 4.248 13.621 ( -2.452 0.000 0.000) 2.452 15.656 ( 24.431 0.000 0.000) 24.431 16.760 ( -7.689 0.000 0.000) 7.689 16.964 ( 0.349 0.000 0.000) 0.349 16.993 ( -0.340 0.000 0.000) 0.340 18.636 ( 0.905 0.000 0.000) 0.905 18.756 ( -1.508 0.000 0.000) 1.508 18.838 ( -0.095 0.000 0.000) 0.095 18.856 ( -0.129 0.000 0.000) 0.129 21.519 ( 0.802 0.000 0.000) 0.802 21.583 ( -0.693 0.000 0.000) 0.693 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 35.765 0.000 0.000) 35.765 1.544 ( 38.309 0.000 0.000) 38.309 2.115 ( -32.621 0.000 0.000) 32.621 2.248 ( -31.635 0.000 0.000) 31.635 3.056 ( 71.067 0.000 0.000) 71.067 4.182 ( 14.968 0.000 0.000) 14.968 4.384 ( 16.158 0.000 0.000) 16.158 4.428 ( -10.295 0.000 0.000) 10.295 4.453 ( -68.738 0.000 0.000) 68.738 4.650 ( -12.821 0.000 0.000) 12.821 5.737 ( 6.669 0.000 0.000) 6.669 5.865 ( -6.169 0.000 0.000) 6.169 7.344 ( 0.682 0.000 0.000) 0.682 7.358 ( -0.671 0.000 0.000) 0.671 8.854 ( 37.440 0.000 0.000) 37.440 9.468 ( -25.618 0.000 0.000) 25.618 10.413 ( 25.722 0.000 0.000) 25.722 10.853 ( -17.550 0.000 0.000) 17.550 12.208 ( 11.770 0.000 0.000) 11.770 12.376 ( 5.245 0.000 0.000) 5.245 12.489 ( -6.183 0.000 0.000) 6.183 12.545 ( -20.148 0.000 0.000) 20.148 12.832 ( -4.399 0.000 0.000) 4.399 12.836 ( -1.706 0.000 0.000) 1.706 13.456 ( 5.391 0.000 0.000) 5.391 13.553 ( -4.444 0.000 0.000) 4.444 16.143 ( 23.600 0.000 0.000) 23.600 16.531 ( -15.961 0.000 0.000) 15.961 16.973 ( 0.560 0.000 0.000) 0.560 16.984 ( -0.554 0.000 0.000) 0.554 18.665 ( 2.051 0.000 0.000) 2.051 18.712 ( -2.643 0.000 0.000) 2.643 18.843 ( 0.458 0.000 0.000) 0.458 18.852 ( -0.389 0.000 0.000) 0.389 21.540 ( 1.237 0.000 0.000) 1.237 21.564 ( -1.170 0.000 0.000) 1.170 ======================= Grid point 5 (4/168) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 0.000 38.059 0.000) 38.059 0.972 ( 0.000 45.727 0.000) 45.727 1.606 ( 0.000 76.637 0.000) 76.637 3.231 ( 0.000 17.760 0.000) 17.760 3.544 ( 0.000 -0.590 0.000) 0.590 3.717 ( 0.000 18.867 0.000) 18.867 3.835 ( 0.000 19.300 0.000) 19.300 4.945 ( 0.000 27.765 0.000) 27.765 4.959 ( 0.000 10.532 0.000) 10.532 5.604 ( 0.000 2.770 0.000) 2.770 5.968 ( 0.000 -0.144 0.000) 0.144 6.823 ( 0.000 -14.053 0.000) 14.053 7.011 ( 0.000 8.521 0.000) 8.521 7.737 ( 0.000 25.051 0.000) 25.051 8.746 ( 0.000 3.430 0.000) 3.430 9.492 ( 0.000 -4.688 0.000) 4.688 9.845 ( 0.000 5.165 0.000) 5.165 9.907 ( 0.000 -5.101 0.000) 5.101 11.184 ( 0.000 4.374 0.000) 4.374 12.132 ( 0.000 -12.879 0.000) 12.879 12.555 ( 0.000 -8.210 0.000) 8.210 12.780 ( 0.000 7.607 0.000) 7.607 13.381 ( 0.000 6.759 0.000) 6.759 13.551 ( 0.000 -5.393 0.000) 5.393 13.555 ( 0.000 -2.039 0.000) 2.039 14.220 ( 0.000 2.938 0.000) 2.938 15.473 ( 0.000 8.213 0.000) 8.213 16.783 ( 0.000 -4.767 0.000) 4.767 16.880 ( 0.000 -11.020 0.000) 11.020 16.884 ( 0.000 -7.610 0.000) 7.610 18.584 ( 0.000 -4.246 0.000) 4.246 18.788 ( 0.000 -5.168 0.000) 5.168 18.913 ( 0.000 4.509 0.000) 4.509 19.949 ( 0.000 -0.792 0.000) 0.792 20.981 ( 0.000 -4.072 0.000) 4.072 21.454 ( 0.000 -12.461 0.000) 12.461 ======================= Grid point 6 (5/168) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 23.491 34.701 0.000) 41.904 1.352 ( 33.089 31.939 0.000) 45.988 2.026 ( 45.694 51.641 0.000) 68.954 2.943 ( -23.231 21.244 0.000) 31.479 3.086 ( -29.489 11.803 0.000) 31.763 4.047 ( 18.845 5.981 0.000) 19.771 4.053 ( 16.051 16.970 0.000) 23.358 4.900 ( -4.642 27.555 0.000) 27.943 4.912 ( -4.749 11.318 0.000) 12.274 5.645 ( 4.030 2.847 0.000) 4.934 5.804 ( -52.989 5.376 0.000) 53.261 5.964 ( -10.886 -2.355 0.000) 11.137 7.459 ( 8.293 7.453 0.000) 11.150 7.965 ( -28.684 34.120 0.000) 44.575 8.135 ( 37.416 11.013 0.000) 39.003 9.759 ( -7.379 -11.291 0.000) 13.488 9.894 ( 14.022 -3.579 0.000) 14.472 10.818 ( 56.450 -36.474 0.000) 67.208 11.085 ( -10.142 0.501 0.000) 10.155 12.175 ( 3.564 -10.844 0.000) 11.415 12.556 ( -0.107 -8.060 0.000) 8.061 12.797 ( 1.118 8.129 0.000) 8.206 13.195 ( -27.803 -2.946 0.000) 27.959 13.381 ( -0.828 6.983 0.000) 7.032 13.561 ( -1.549 -2.762 0.000) 3.166 13.769 ( -30.529 23.219 0.000) 38.355 15.751 ( 23.600 7.043 0.000) 24.628 16.776 ( -3.553 -2.623 0.000) 4.416 16.876 ( -0.306 -10.427 0.000) 10.432 16.882 ( -0.170 -8.019 0.000) 8.020 18.594 ( 1.070 -4.164 0.000) 4.300 18.755 ( -3.105 -4.720 0.000) 5.650 18.927 ( 1.558 5.943 0.000) 6.144 19.400 ( -26.793 29.907 0.000) 40.153 21.219 ( 9.966 -19.086 0.000) 21.531 21.441 ( -1.346 -12.993 0.000) 13.062 ======================= Grid point 7 (6/168) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 30.674 21.706 0.000) 37.577 1.899 ( 25.955 34.524 0.000) 43.192 2.407 ( -28.539 15.189 0.000) 32.329 2.448 ( -26.463 27.303 0.000) 38.023 3.266 ( 64.195 21.653 0.000) 67.748 4.329 ( 10.351 11.951 0.000) 15.810 4.345 ( 9.807 3.006 0.000) 10.257 4.552 ( -62.802 10.068 0.000) 63.604 4.791 ( -4.744 26.863 0.000) 27.279 4.823 ( -9.697 17.474 0.000) 19.984 5.746 ( 5.949 1.755 0.000) 6.202 5.860 ( -5.489 0.166 0.000) 5.492 7.549 ( 3.762 16.229 0.000) 16.660 7.653 ( -8.218 24.048 0.000) 25.414 8.860 ( 34.300 0.518 0.000) 34.304 9.426 ( -23.711 -4.482 0.000) 24.130 10.326 ( 25.631 -7.496 0.000) 26.705 10.789 ( -20.321 -5.634 0.000) 21.088 11.653 ( 33.647 -25.681 0.000) 42.328 12.155 ( -12.680 -12.446 0.000) 17.768 12.543 ( -1.028 -6.562 0.000) 6.642 12.609 ( -14.279 -3.684 0.000) 14.747 12.954 ( 6.274 12.981 0.000) 14.418 13.189 ( -16.859 21.340 0.000) 27.196 13.485 ( -0.138 4.624 0.000) 4.626 13.519 ( -2.434 -0.553 0.000) 2.496 16.227 ( 23.098 5.591 0.000) 23.765 16.599 ( -14.579 2.987 0.000) 14.882 16.875 ( 0.103 -10.072 0.000) 10.073 16.878 ( -0.220 -9.022 0.000) 9.024 18.627 ( 2.414 -4.005 0.000) 4.676 18.686 ( -3.537 -4.042 0.000) 5.371 18.976 ( 3.624 10.602 0.000) 11.204 19.087 ( -8.803 19.780 0.000) 21.651 21.341 ( 4.094 -16.923 0.000) 17.411 21.403 ( -2.539 -14.514 0.000) 14.734 ======================= Grid point 10 (7/168) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 36.183 0.000) 36.183 1.857 ( 0.000 39.030 0.000) 39.030 3.144 ( 0.000 71.400 0.000) 71.400 3.583 ( 0.000 4.595 0.000) 4.595 3.662 ( 0.000 21.706 0.000) 21.706 4.176 ( 0.000 22.687 0.000) 22.687 4.303 ( 0.000 23.031 0.000) 23.031 5.309 ( 0.000 23.599 0.000) 23.599 5.657 ( 0.000 38.743 0.000) 38.743 5.716 ( 0.000 8.898 0.000) 8.898 5.957 ( 0.000 -1.837 0.000) 1.837 6.594 ( 0.000 -6.275 0.000) 6.275 7.276 ( 0.000 17.069 0.000) 17.069 8.288 ( 0.000 26.857 0.000) 26.857 8.850 ( 0.000 6.515 0.000) 6.515 9.342 ( 0.000 -11.327 0.000) 11.327 9.766 ( 0.000 -4.328 0.000) 4.328 10.019 ( 0.000 9.795 0.000) 9.795 11.308 ( 0.000 7.117 0.000) 7.117 11.766 ( 0.000 -20.611 0.000) 20.611 12.304 ( 0.000 -15.810 0.000) 15.810 12.973 ( 0.000 10.260 0.000) 10.260 13.506 ( 0.000 -2.156 0.000) 2.156 13.551 ( 0.000 6.197 0.000) 6.197 13.589 ( 0.000 13.050 0.000) 13.050 14.306 ( 0.000 5.324 0.000) 5.324 15.622 ( 0.000 5.342 0.000) 5.342 16.561 ( 0.000 -19.123 0.000) 19.123 16.632 ( 0.000 -17.025 0.000) 17.025 16.642 ( 0.000 -8.678 0.000) 8.678 18.455 ( 0.000 -8.194 0.000) 8.194 18.629 ( 0.000 -10.172 0.000) 10.172 18.994 ( 0.000 2.236 0.000) 2.236 19.917 ( 0.000 -2.458 0.000) 2.458 20.856 ( 0.000 -7.949 0.000) 7.949 21.117 ( 0.000 -18.947 0.000) 18.947 ======================= Grid point 11 (8/168) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 31.901 27.620 0.000) 42.197 1.986 ( 12.933 35.820 0.000) 38.084 3.240 ( -4.617 42.423 0.000) 42.674 3.428 ( 2.382 36.080 0.000) 36.158 3.443 ( -18.361 24.228 0.000) 30.400 4.291 ( 10.172 16.013 0.000) 18.970 4.454 ( 10.792 19.301 0.000) 22.113 5.288 ( -2.143 24.864 0.000) 24.956 5.574 ( -5.839 32.171 0.000) 32.697 5.786 ( 4.018 14.762 0.000) 15.300 5.887 ( -23.170 -2.911 0.000) 23.352 6.014 ( -25.295 13.809 0.000) 28.819 7.635 ( 19.445 9.627 0.000) 21.697 8.459 ( 17.471 19.001 0.000) 25.812 8.487 ( -22.491 18.443 0.000) 29.086 9.418 ( 0.221 -18.867 0.000) 18.868 9.857 ( 9.000 -0.257 0.000) 9.004 10.514 ( 41.428 -1.051 0.000) 41.442 11.085 ( -18.710 -1.085 0.000) 18.741 11.900 ( 9.056 -13.596 0.000) 16.336 12.306 ( 0.077 -15.771 0.000) 15.771 12.937 ( -12.238 2.652 0.000) 12.522 13.202 ( -13.531 6.351 0.000) 14.948 13.582 ( -0.846 12.575 0.000) 12.603 13.602 ( 0.886 7.305 0.000) 7.359 14.081 ( -19.897 11.130 0.000) 22.798 15.867 ( 21.124 3.376 0.000) 21.392 16.562 ( 0.248 -18.280 0.000) 18.282 16.624 ( -0.799 -17.150 0.000) 17.168 16.664 ( 0.334 -8.731 0.000) 8.738 18.465 ( 1.086 -8.251 0.000) 8.322 18.605 ( -2.313 -9.747 0.000) 10.017 19.044 ( 5.104 3.924 0.000) 6.438 19.754 ( -14.580 7.223 0.000) 16.270 20.878 ( 2.394 -14.236 0.000) 14.436 21.093 ( -2.422 -19.363 0.000) 19.514 ======================= Grid point 12 (9/168) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 22.211 29.150 0.000) 36.647 2.554 ( 28.390 25.139 0.000) 37.920 2.815 ( -26.264 22.957 0.000) 34.883 3.040 ( -22.599 26.530 0.000) 34.851 3.971 ( 41.984 44.172 0.000) 60.941 4.501 ( 9.752 11.300 0.000) 14.926 4.584 ( 0.083 11.932 0.000) 11.932 4.912 ( -47.786 24.607 0.000) 53.750 5.348 ( 0.148 31.202 0.000) 31.202 5.445 ( -7.008 33.607 0.000) 34.330 5.853 ( 3.073 10.531 0.000) 10.970 5.910 ( -2.817 6.126 0.000) 6.743 7.912 ( 11.233 16.521 0.000) 19.979 8.141 ( -13.654 20.913 0.000) 24.976 8.880 ( 22.745 1.793 0.000) 22.815 9.261 ( -15.206 -11.417 0.000) 19.015 10.187 ( 22.984 -3.958 0.000) 23.323 10.661 ( -24.222 -5.629 0.000) 24.868 11.340 ( 41.085 -5.819 0.000) 41.495 11.948 ( -12.051 -7.425 0.000) 14.155 12.305 ( 0.104 -15.473 0.000) 15.474 12.434 ( -21.830 -10.899 0.000) 24.400 13.269 ( 12.055 15.782 0.000) 19.859 13.524 ( -8.379 12.897 0.000) 15.380 13.614 ( 0.971 10.165 0.000) 10.211 13.703 ( -13.190 15.232 0.000) 20.149 16.288 ( 19.611 -0.474 0.000) 19.617 16.554 ( -4.468 -11.812 0.000) 12.629 16.605 ( -1.043 -17.351 0.000) 17.383 16.605 ( -3.963 -11.142 0.000) 11.825 18.498 ( 2.275 -8.480 0.000) 8.780 18.550 ( -2.991 -8.994 0.000) 9.478 19.194 ( 10.444 8.478 0.000) 13.452 19.447 ( -15.313 12.507 0.000) 19.772 20.945 ( 4.204 -19.616 0.000) 20.062 21.029 ( -4.062 -20.167 0.000) 20.572 ======================= Grid point 15 (10/168) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.000 33.043 0.000) 33.043 2.559 ( 0.000 28.671 0.000) 28.671 3.731 ( 0.000 9.524 0.000) 9.524 4.067 ( 0.000 16.688 0.000) 16.688 4.401 ( 0.000 30.398 0.000) 30.398 4.681 ( 0.000 43.908 0.000) 43.908 4.683 ( 0.000 12.242 0.000) 12.242 5.816 ( 0.000 -12.729 0.000) 12.729 5.916 ( 0.000 34.138 0.000) 34.138 5.997 ( 0.000 18.159 0.000) 18.159 6.464 ( 0.000 37.596 0.000) 37.596 6.681 ( 0.000 16.041 0.000) 16.041 7.707 ( 0.000 24.170 0.000) 24.170 8.803 ( 0.000 22.180 0.000) 22.180 8.994 ( 0.000 -21.472 0.000) 21.472 9.008 ( 0.000 8.550 0.000) 8.550 9.773 ( 0.000 4.511 0.000) 4.511 10.273 ( 0.000 15.306 0.000) 15.306 11.365 ( 0.000 -16.596 0.000) 16.596 11.444 ( 0.000 5.031 0.000) 5.031 11.917 ( 0.000 -21.134 0.000) 21.134 13.173 ( 0.000 8.440 0.000) 8.440 13.492 ( 0.000 1.437 0.000) 1.437 13.784 ( 0.000 15.364 0.000) 15.364 13.894 ( 0.000 15.123 0.000) 15.123 14.438 ( 0.000 7.691 0.000) 7.691 15.698 ( 0.000 2.696 0.000) 2.696 16.126 ( 0.000 -21.753 0.000) 21.753 16.181 ( 0.000 -26.206 0.000) 26.206 16.435 ( 0.000 -11.109 0.000) 11.109 18.245 ( 0.000 -12.133 0.000) 12.133 18.369 ( 0.000 -14.887 0.000) 14.887 18.979 ( 0.000 -3.681 0.000) 3.681 19.844 ( 0.000 -4.467 0.000) 4.467 20.656 ( 0.000 -11.250 0.000) 11.250 20.710 ( 0.000 -19.902 0.000) 19.902 ======================= Grid point 16 (11/168) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 20.754 26.756 0.000) 33.862 2.643 ( 8.512 27.040 0.000) 28.348 3.602 ( -12.785 13.610 0.000) 18.673 3.874 ( -16.662 16.893 0.000) 23.728 4.471 ( 6.948 22.894 0.000) 23.925 4.753 ( 8.417 46.416 0.000) 47.173 4.771 ( 5.157 10.068 0.000) 11.312 5.754 ( -6.585 -1.484 0.000) 6.750 5.943 ( 1.852 28.727 0.000) 28.786 5.999 ( 0.174 18.772 0.000) 18.773 6.436 ( -3.254 36.786 0.000) 36.930 6.445 ( -17.883 27.590 0.000) 32.879 7.885 ( 14.421 15.229 0.000) 20.973 8.775 ( -16.348 7.004 0.000) 17.785 8.855 ( 4.883 18.089 0.000) 18.737 9.028 ( 0.851 -15.359 0.000) 15.383 9.898 ( 10.877 4.313 0.000) 11.701 10.625 ( 31.983 10.729 0.000) 33.734 11.024 ( -21.350 -4.454 0.000) 21.810 11.680 ( 10.569 -7.762 0.000) 13.113 11.923 ( 0.519 -20.721 0.000) 20.727 12.935 ( -28.193 -0.555 0.000) 28.199 13.419 ( 2.521 12.238 0.000) 12.494 13.852 ( 3.854 16.133 0.000) 16.587 13.874 ( -2.185 14.287 0.000) 14.453 14.304 ( -12.286 11.540 0.000) 16.856 15.892 ( 16.688 -0.453 0.000) 16.694 16.129 ( 0.343 -22.390 0.000) 22.393 16.176 ( -0.383 -25.666 0.000) 25.669 16.457 ( 1.156 -11.059 0.000) 11.119 18.252 ( 0.794 -12.350 0.000) 12.375 18.353 ( -1.575 -14.544 0.000) 14.629 19.059 ( 8.205 -2.383 0.000) 8.544 19.793 ( -6.109 -1.994 0.000) 6.426 20.601 ( -4.146 -13.141 0.000) 13.780 20.682 ( -2.726 -19.809 0.000) 19.995 ======================= Grid point 17 (12/168) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 14.484 21.783 0.000) 26.158 2.949 ( 19.298 15.117 0.000) 24.514 3.307 ( -12.564 23.547 0.000) 26.690 3.501 ( -20.683 18.949 0.000) 28.051 4.641 ( 9.418 9.496 0.000) 13.374 4.785 ( -4.111 6.179 0.000) 7.422 5.033 ( 20.186 45.685 0.000) 49.946 5.476 ( -22.164 25.427 0.000) 33.731 5.980 ( 1.817 27.146 0.000) 27.206 6.000 ( -0.274 21.137 0.000) 21.139 6.242 ( -0.590 29.792 0.000) 29.798 6.332 ( -6.790 33.863 0.000) 34.537 8.175 ( 14.844 8.935 0.000) 17.326 8.464 ( -15.239 8.415 0.000) 17.408 8.960 ( 5.027 6.438 0.000) 8.168 9.026 ( -1.550 -7.683 0.000) 7.838 10.184 ( 18.503 3.035 0.000) 18.750 10.591 ( -22.536 -0.830 0.000) 22.551 11.350 ( 39.450 5.743 0.000) 39.866 11.803 ( 0.316 -8.662 0.000) 8.668 11.936 ( 1.261 -19.582 0.000) 19.622 12.249 ( -36.894 -4.609 0.000) 37.181 13.574 ( 11.406 13.430 0.000) 17.620 13.785 ( -8.082 11.859 0.000) 14.351 13.923 ( 4.091 18.805 0.000) 19.245 14.054 ( -10.768 18.724 0.000) 21.600 16.139 ( 0.616 -23.528 0.000) 23.537 16.145 ( 1.254 -22.191 0.000) 22.226 16.238 ( 12.690 -8.017 0.000) 15.010 16.427 ( -5.298 -9.475 0.000) 10.856 18.276 ( 1.679 -12.943 0.000) 13.052 18.315 ( -2.151 -13.764 0.000) 13.931 19.287 ( 14.649 0.523 0.000) 14.659 19.586 ( -14.585 1.606 0.000) 14.673 20.562 ( 0.833 -17.262 0.000) 17.282 20.615 ( -3.753 -19.270 0.000) 19.632 ======================= Grid point 20 (13/168) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 0.000 29.066 0.000) 29.066 3.053 ( 0.000 19.740 0.000) 19.740 3.977 ( 0.000 14.517 0.000) 14.517 4.335 ( 0.000 9.201 0.000) 9.201 4.591 ( 0.000 0.814 0.000) 0.814 4.809 ( 0.000 0.902 0.000) 0.902 5.468 ( 0.000 -19.807 0.000) 19.807 5.755 ( 0.000 45.639 0.000) 45.639 6.435 ( 0.000 23.559 0.000) 23.559 6.679 ( 0.000 38.803 0.000) 38.803 7.155 ( 0.000 28.287 0.000) 28.287 7.191 ( 0.000 30.591 0.000) 30.591 8.240 ( 0.000 26.117 0.000) 26.117 8.518 ( 0.000 -22.344 0.000) 22.344 9.185 ( 0.000 14.594 0.000) 14.594 9.186 ( 0.000 8.063 0.000) 8.063 9.910 ( 0.000 7.749 0.000) 7.749 10.676 ( 0.000 23.990 0.000) 23.990 11.111 ( 0.000 -7.842 0.000) 7.842 11.453 ( 0.000 -23.087 0.000) 23.087 11.479 ( 0.000 -2.088 0.000) 2.088 13.306 ( 0.000 4.363 0.000) 4.363 13.581 ( 0.000 6.866 0.000) 6.866 14.101 ( 0.000 1.240 0.000) 1.240 14.140 ( 0.000 17.839 0.000) 17.839 14.667 ( 0.000 15.668 0.000) 15.668 15.583 ( 0.000 -30.437 0.000) 30.437 15.733 ( 0.000 -13.892 0.000) 13.892 15.764 ( 0.000 4.461 0.000) 4.461 16.195 ( 0.000 -11.853 0.000) 11.853 17.952 ( 0.000 -16.206 0.000) 16.206 18.016 ( 0.000 -19.202 0.000) 19.202 18.867 ( 0.000 -6.100 0.000) 6.100 19.739 ( 0.000 -5.368 0.000) 5.368 20.302 ( 0.000 -19.716 0.000) 19.716 20.399 ( 0.000 -13.368 0.000) 13.368 ======================= Grid point 21 (14/168) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 10.058 24.083 0.000) 26.099 3.106 ( 5.243 18.326 0.000) 19.061 3.909 ( -6.618 16.674 0.000) 17.939 4.149 ( -14.841 10.341 0.000) 18.089 4.621 ( 3.142 0.334 0.000) 3.160 4.857 ( 1.226 -1.209 0.000) 1.722 5.579 ( 10.614 -12.337 0.000) 16.275 5.783 ( 3.071 42.140 0.000) 42.252 6.441 ( 0.833 23.133 0.000) 23.148 6.663 ( -1.927 36.789 0.000) 36.839 7.114 ( -6.848 35.494 0.000) 36.149 7.134 ( -2.602 30.039 0.000) 30.151 8.262 ( 2.481 20.324 0.000) 20.475 8.522 ( -0.737 -18.355 0.000) 18.370 9.088 ( -6.116 9.786 0.000) 11.539 9.179 ( -1.039 12.858 0.000) 12.900 10.021 ( 10.239 6.929 0.000) 12.363 10.943 ( 25.173 19.840 0.000) 32.052 10.944 ( -14.567 -2.376 0.000) 14.759 11.473 ( 1.905 -22.116 0.000) 22.198 11.528 ( 2.883 -8.105 0.000) 8.602 12.958 ( -30.005 2.900 0.000) 30.145 13.660 ( 6.372 10.435 0.000) 12.226 14.068 ( -3.424 1.710 0.000) 3.827 14.227 ( 6.576 18.985 0.000) 20.092 14.609 ( -5.529 18.421 0.000) 19.232 15.588 ( 0.620 -29.262 0.000) 29.268 15.701 ( -2.703 -16.769 0.000) 16.986 15.890 ( 11.048 0.419 0.000) 11.056 16.223 ( 1.884 -11.208 0.000) 11.366 17.953 ( 0.213 -16.551 0.000) 16.553 18.006 ( -0.972 -18.935 0.000) 18.960 18.970 ( 10.263 -5.324 0.000) 11.561 19.712 ( -3.667 -5.106 0.000) 6.286 20.281 ( -1.959 -19.105 0.000) 19.205 20.325 ( -6.400 -13.588 0.000) 15.020 ======================= Grid point 22 (15/168) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 6.173 13.697 0.000) 15.024 3.235 ( 7.547 13.322 0.000) 15.311 3.777 ( -3.938 22.003 0.000) 22.352 3.868 ( -12.177 17.060 0.000) 20.960 4.709 ( 5.595 -1.318 0.000) 5.748 4.816 ( -4.695 -2.858 0.000) 5.496 5.794 ( 8.746 4.434 0.000) 9.806 5.852 ( 2.270 27.744 0.000) 27.837 6.480 ( 3.719 25.655 0.000) 25.924 6.587 ( -5.990 31.894 0.000) 32.452 7.007 ( -1.855 40.321 0.000) 40.363 7.053 ( -4.939 35.074 0.000) 35.420 8.339 ( 5.273 8.451 0.000) 9.961 8.453 ( -5.825 -5.228 0.000) 7.827 9.057 ( 2.697 8.171 0.000) 8.605 9.132 ( -3.744 9.291 0.000) 10.017 10.280 ( 16.011 5.625 0.000) 16.970 10.618 ( -18.008 2.915 0.000) 18.243 11.518 ( 2.574 -19.961 0.000) 20.127 11.551 ( -0.556 -14.805 0.000) 14.816 11.554 ( 35.720 13.358 0.000) 38.136 12.280 ( -37.683 6.605 0.000) 38.257 13.809 ( 8.493 8.531 0.000) 12.038 13.966 ( -7.048 4.176 0.000) 8.192 14.352 ( 6.357 21.769 0.000) 22.679 14.481 ( -6.927 22.120 0.000) 23.180 15.609 ( 1.565 -26.482 0.000) 26.528 15.648 ( -2.492 -22.039 0.000) 22.180 16.106 ( 9.493 -5.632 0.000) 11.038 16.224 ( -2.577 -9.478 0.000) 9.822 17.963 ( 0.784 -17.354 0.000) 17.371 17.983 ( -1.244 -18.243 0.000) 18.285 19.241 ( 16.580 -4.058 0.000) 17.069 19.551 ( -13.392 -4.052 0.000) 13.992 20.228 ( -2.117 -15.270 0.000) 15.416 20.237 ( -2.122 -17.453 0.000) 17.582 ======================= Grid point 25 (16/168) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( 0.000 15.093 0.000) 15.093 3.470 ( 0.000 23.278 0.000) 23.278 4.347 ( 0.000 21.760 0.000) 21.760 4.467 ( 0.000 4.367 0.000) 4.367 4.537 ( 0.000 -5.257 0.000) 5.257 4.755 ( 0.000 -6.207 0.000) 6.207 5.038 ( 0.000 -20.253 0.000) 20.253 6.356 ( 0.000 9.625 0.000) 9.625 6.932 ( 0.000 21.655 0.000) 21.655 7.484 ( 0.000 38.070 0.000) 38.070 7.602 ( 0.000 14.432 0.000) 14.432 7.848 ( 0.000 31.004 0.000) 31.004 8.234 ( 0.000 0.402 0.000) 0.402 8.731 ( 0.000 20.141 0.000) 20.141 9.310 ( 0.000 3.000 0.000) 3.000 9.395 ( 0.000 5.308 0.000) 5.308 10.067 ( 0.000 7.162 0.000) 7.162 10.991 ( 0.000 -20.893 0.000) 20.893 11.028 ( 0.000 -0.763 0.000) 0.763 11.257 ( 0.000 31.579 0.000) 31.579 11.373 ( 0.000 -7.255 0.000) 7.255 13.363 ( 0.000 1.761 0.000) 1.761 13.732 ( 0.000 5.913 0.000) 5.913 13.891 ( 0.000 -20.240 0.000) 20.240 14.468 ( 0.000 12.632 0.000) 12.632 14.989 ( 0.000 -24.925 0.000) 24.925 15.038 ( 0.000 17.398 0.000) 17.398 15.648 ( 0.000 6.949 0.000) 6.949 15.917 ( 0.000 11.042 0.000) 11.042 15.954 ( 0.000 -11.237 0.000) 11.237 17.578 ( 0.000 -19.866 0.000) 19.866 17.579 ( 0.000 -22.951 0.000) 22.951 18.776 ( 0.000 -1.635 0.000) 1.635 19.640 ( 0.000 -3.805 0.000) 3.805 19.888 ( 0.000 -20.377 0.000) 20.377 20.117 ( 0.000 -13.553 0.000) 13.553 ======================= Grid point 26 (17/168) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 2.702 14.250 0.000) 14.504 3.494 ( 1.976 20.295 0.000) 20.391 4.306 ( -3.886 21.790 0.000) 22.134 4.329 ( -9.104 7.609 0.000) 11.865 4.561 ( 2.314 -5.227 0.000) 5.716 4.748 ( -1.698 -8.812 0.000) 8.974 5.272 ( 19.847 -16.328 0.000) 25.701 6.295 ( -7.129 4.525 0.000) 8.443 6.915 ( 1.051 21.885 0.000) 21.910 7.418 ( -6.544 35.384 0.000) 35.984 7.689 ( 6.373 22.997 0.000) 23.863 7.844 ( -0.549 33.566 0.000) 33.571 8.283 ( 4.817 -1.283 0.000) 4.985 8.665 ( -6.079 17.100 0.000) 18.148 9.255 ( -3.725 5.338 0.000) 6.509 9.373 ( -2.399 5.548 0.000) 6.045 10.162 ( 9.115 6.461 0.000) 11.172 10.935 ( -9.316 1.189 0.000) 9.392 11.025 ( 3.588 -19.616 0.000) 19.941 11.336 ( -3.633 -9.888 0.000) 10.534 11.445 ( 18.087 27.310 0.000) 32.756 13.046 ( -26.201 5.420 0.000) 26.755 13.811 ( 4.222 2.541 0.000) 4.928 13.892 ( 0.029 -18.356 0.000) 18.356 14.580 ( 9.477 13.685 0.000) 16.646 15.007 ( -3.137 17.591 0.000) 17.868 15.031 ( 4.298 -22.069 0.000) 22.483 15.533 ( -9.560 1.498 0.000) 9.677 15.963 ( 4.173 7.657 0.000) 8.720 16.018 ( 4.382 -7.316 0.000) 8.528 17.572 ( -0.486 -20.200 0.000) 20.206 17.575 ( -0.431 -22.676 0.000) 22.680 18.885 ( 10.812 -1.802 0.000) 10.962 19.609 ( -3.712 -4.219 0.000) 5.620 19.885 ( -0.204 -19.279 0.000) 19.280 20.045 ( -6.514 -13.205 0.000) 14.724 ======================= Grid point 27 (18/168) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 2.865 12.717 0.000) 13.035 3.521 ( 0.240 14.609 0.000) 14.611 4.208 ( -2.695 15.666 0.000) 15.897 4.224 ( -3.592 21.175 0.000) 21.478 4.621 ( 3.680 -6.368 0.000) 7.355 4.694 ( -3.565 -8.224 0.000) 8.964 5.690 ( 21.557 -12.875 0.000) 25.109 6.065 ( -16.215 -5.976 0.000) 17.281 7.027 ( 9.838 26.236 0.000) 28.020 7.243 ( -11.002 30.687 0.000) 32.600 7.781 ( 2.971 33.648 0.000) 33.779 7.822 ( -1.613 36.651 0.000) 36.686 8.400 ( 6.607 0.923 0.000) 6.671 8.531 ( -7.022 9.242 0.000) 11.607 9.231 ( 1.801 6.924 0.000) 7.155 9.303 ( -4.487 6.207 0.000) 7.659 10.396 ( 14.469 5.337 0.000) 15.422 10.691 ( -14.894 3.816 0.000) 15.375 11.122 ( 5.955 -17.531 0.000) 18.514 11.241 ( -5.889 -14.258 0.000) 15.426 11.902 ( 27.703 19.765 0.000) 34.031 12.478 ( -30.673 11.957 0.000) 32.922 13.867 ( 1.832 -4.835 0.000) 5.170 13.889 ( -0.499 -12.866 0.000) 12.876 14.768 ( 9.015 16.499 0.000) 18.801 14.916 ( -6.217 17.765 0.000) 18.821 15.152 ( 8.020 -14.818 0.000) 16.849 15.333 ( -10.306 -6.117 0.000) 11.985 16.045 ( 3.433 1.242 0.000) 3.651 16.073 ( 0.787 -3.651 0.000) 3.735 17.564 ( -0.194 -21.012 0.000) 21.013 17.566 ( -0.348 -21.947 0.000) 21.949 19.161 ( 16.338 -2.710 0.000) 16.561 19.458 ( -12.486 -4.087 0.000) 13.138 19.886 ( 0.588 -16.535 0.000) 16.546 19.927 ( -4.207 -13.827 0.000) 14.453 ======================= Grid point 30 (19/168) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 0.000 15.262 0.000) 15.262 3.880 ( 0.000 16.615 0.000) 16.615 4.389 ( 0.000 -8.858 0.000) 8.858 4.473 ( 0.000 -19.994 0.000) 19.994 4.546 ( 0.000 3.846 0.000) 3.846 4.755 ( 0.000 -7.286 0.000) 7.286 4.883 ( 0.000 29.648 0.000) 29.648 6.157 ( 0.000 -24.439 0.000) 24.439 7.310 ( 0.000 16.602 0.000) 16.602 7.746 ( 0.000 -0.299 0.000) 0.299 8.206 ( 0.000 30.114 0.000) 30.114 8.401 ( 0.000 20.796 0.000) 20.796 8.546 ( 0.000 23.578 0.000) 23.578 9.038 ( 0.000 9.558 0.000) 9.558 9.275 ( 0.000 -7.069 0.000) 7.069 9.387 ( 0.000 -6.128 0.000) 6.128 10.208 ( 0.000 6.851 0.000) 6.851 10.616 ( 0.000 -15.041 0.000) 15.041 11.054 ( 0.000 2.597 0.000) 2.597 11.223 ( 0.000 -6.366 0.000) 6.366 11.949 ( 0.000 34.696 0.000) 34.696 13.346 ( 0.000 -30.729 0.000) 30.729 13.410 ( 0.000 3.598 0.000) 3.598 13.734 ( 0.000 -6.684 0.000) 6.684 14.632 ( 0.000 3.312 0.000) 3.312 14.651 ( 0.000 -6.532 0.000) 6.532 15.324 ( 0.000 10.957 0.000) 10.957 15.734 ( 0.000 -10.138 0.000) 10.138 15.990 ( 0.000 23.496 0.000) 23.496 16.231 ( 0.000 18.932 0.000) 18.932 17.073 ( 0.000 -25.791 0.000) 25.791 17.139 ( 0.000 -22.351 0.000) 22.351 18.833 ( 0.000 7.576 0.000) 7.576 19.465 ( 0.000 -20.109 0.000) 20.109 19.602 ( 0.000 0.552 0.000) 0.552 19.857 ( 0.000 -11.170 0.000) 11.170 ======================= Grid point 31 (20/168) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 2.052 15.328 0.000) 15.465 3.870 ( -1.096 16.173 0.000) 16.210 4.394 ( 0.416 -9.261 0.000) 9.271 4.405 ( -2.695 -8.238 0.000) 8.668 4.572 ( 1.249 0.314 0.000) 1.288 4.838 ( -4.532 27.926 0.000) 28.291 4.955 ( 17.228 -13.462 0.000) 21.864 6.042 ( -11.562 -24.165 0.000) 26.789 7.346 ( 5.480 19.747 0.000) 20.493 7.898 ( 13.034 -2.663 0.000) 13.303 8.085 ( -10.721 27.910 0.000) 29.898 8.423 ( 0.356 19.388 0.000) 19.391 8.570 ( 2.359 24.159 0.000) 24.274 8.940 ( -8.827 10.517 0.000) 13.730 9.267 ( -0.216 -5.013 0.000) 5.018 9.386 ( -0.766 -4.710 0.000) 4.772 10.289 ( 7.979 6.184 0.000) 10.094 10.671 ( 5.443 -14.233 0.000) 15.238 10.978 ( -7.711 2.706 0.000) 8.172 11.152 ( -6.724 -7.223 0.000) 9.868 12.062 ( 11.265 31.682 0.000) 33.625 13.185 ( -19.209 8.446 0.000) 20.983 13.378 ( 3.232 -29.429 0.000) 29.606 13.704 ( -4.127 -12.309 0.000) 12.983 14.745 ( 9.553 0.634 0.000) 9.574 14.777 ( 12.121 -0.883 0.000) 12.153 15.280 ( -4.485 9.948 0.000) 10.912 15.596 ( -11.400 -2.360 0.000) 11.642 16.071 ( 5.623 16.100 0.000) 17.054 16.229 ( -0.293 17.699 0.000) 17.701 17.076 ( 0.247 -25.370 0.000) 25.371 17.127 ( -1.064 -22.553 0.000) 22.578 18.927 ( 9.229 6.288 0.000) 11.168 19.490 ( 2.525 -18.533 0.000) 18.704 19.561 ( -4.471 -0.011 0.000) 4.471 19.794 ( -5.956 -10.679 0.000) 12.228 ======================= Grid point 32 (21/168) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.782 ( 2.940 15.368 0.000) 15.646 3.836 ( -2.381 15.539 0.000) 15.720 4.393 ( 0.622 -7.253 0.000) 7.280 4.401 ( 0.078 -9.570 0.000) 9.570 4.615 ( 3.769 10.462 0.000) 11.120 4.722 ( -6.645 22.124 0.000) 23.100 5.339 ( 21.138 -19.339 0.000) 28.650 5.737 ( -18.962 -22.557 0.000) 29.468 7.541 ( 13.672 23.001 0.000) 26.758 7.829 ( -14.907 25.408 0.000) 29.458 8.167 ( 13.257 -1.429 0.000) 13.333 8.369 ( -6.643 9.410 0.000) 11.519 8.636 ( 4.476 23.937 0.000) 24.352 8.758 ( -8.452 17.302 0.000) 19.256 9.287 ( 2.396 -2.703 0.000) 3.613 9.346 ( -3.090 -2.985 0.000) 4.297 10.499 ( 13.093 4.894 0.000) 13.978 10.766 ( -13.378 3.476 0.000) 13.822 10.813 ( 8.732 -12.134 0.000) 14.950 10.991 ( -9.240 -9.464 0.000) 13.226 12.363 ( 18.950 24.598 0.000) 31.051 12.769 ( -22.176 16.328 0.000) 27.539 13.467 ( 5.737 -25.667 0.000) 26.300 13.591 ( -6.677 -19.792 0.000) 20.888 14.955 ( 11.178 3.416 0.000) 11.688 15.053 ( 15.157 1.323 0.000) 15.215 15.152 ( -8.631 7.177 0.000) 11.225 15.342 ( -14.325 1.108 0.000) 14.368 16.163 ( 3.689 13.776 0.000) 14.261 16.213 ( -1.521 15.181 0.000) 15.257 17.085 ( 0.717 -24.341 0.000) 24.352 17.104 ( -1.199 -23.247 0.000) 23.278 19.160 ( 13.698 3.138 0.000) 14.053 19.412 ( -11.035 0.231 0.000) 11.038 19.560 ( 4.501 -14.724 0.000) 15.396 19.664 ( -6.365 -11.221 0.000) 12.901 ======================= Grid point 35 (22/168) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( 0.000 -18.769 0.000) 18.769 4.060 ( 0.000 18.769 0.000) 18.769 4.173 ( 0.000 -12.112 0.000) 12.112 4.173 ( 0.000 12.112 0.000) 12.112 4.636 ( 0.000 -4.895 0.000) 4.895 4.636 ( 0.000 4.895 0.000) 4.895 5.538 ( 0.000 -32.568 0.000) 32.568 5.538 ( 0.000 32.568 0.000) 32.568 7.613 ( 0.000 -11.635 0.000) 11.635 7.613 ( 0.000 11.635 0.000) 11.635 8.605 ( 0.000 -4.531 0.000) 4.531 8.605 ( 0.000 4.531 0.000) 4.531 9.007 ( 0.000 -18.633 0.000) 18.633 9.007 ( 0.000 18.633 0.000) 18.633 9.198 ( 0.000 -9.033 0.000) 9.033 9.198 ( 0.000 9.033 0.000) 9.033 10.369 ( 0.000 -9.259 0.000) 9.259 10.369 ( 0.000 9.259 0.000) 9.259 11.120 ( 0.000 -3.832 0.000) 3.832 11.120 ( 0.000 3.832 0.000) 3.832 12.667 ( 0.000 -34.280 0.000) 34.280 12.667 ( 0.000 34.280 0.000) 34.280 13.540 ( 0.000 -9.142 0.000) 9.142 13.540 ( 0.000 9.142 0.000) 9.142 14.635 ( 0.000 -1.723 0.000) 1.723 14.635 ( 0.000 1.723 0.000) 1.723 15.531 ( 0.000 -9.625 0.000) 9.625 15.531 ( 0.000 9.625 0.000) 9.625 16.524 ( 0.000 -26.913 0.000) 26.913 16.524 ( 0.000 26.913 0.000) 26.913 16.669 ( 0.000 -22.620 0.000) 22.620 16.669 ( 0.000 22.620 0.000) 22.620 19.083 ( 0.000 -16.053 0.000) 16.053 19.083 ( 0.000 16.053 0.000) 16.053 19.673 ( 0.000 -6.327 0.000) 6.327 19.673 ( 0.000 6.327 0.000) 6.327 ======================= Grid point 37 (23/168) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.078 ( 1.647 -17.863 0.000) 17.939 4.078 ( 1.647 17.863 0.000) 17.939 4.167 ( -0.689 -12.640 0.000) 12.659 4.167 ( -0.689 12.640 0.000) 12.659 4.719 ( 8.371 -9.693 0.000) 12.807 4.719 ( 8.371 9.693 0.000) 12.807 5.452 ( -8.578 -30.553 0.000) 31.735 5.452 ( -8.578 30.553 0.000) 31.735 7.707 ( 9.421 -14.340 0.000) 17.158 7.707 ( 9.421 14.340 0.000) 17.158 8.508 ( -9.595 -10.820 0.000) 14.462 8.508 ( -9.595 10.820 0.000) 14.462 9.030 ( 2.295 -17.820 0.000) 17.967 9.030 ( 2.295 17.820 0.000) 17.967 9.190 ( -1.036 -13.025 0.000) 13.067 9.190 ( -1.036 13.025 0.000) 13.067 10.437 ( 6.819 -8.695 0.000) 11.050 10.437 ( 6.819 8.695 0.000) 11.050 11.043 ( -7.633 -3.765 0.000) 8.511 11.043 ( -7.633 3.765 0.000) 8.511 12.730 ( 6.373 -32.416 0.000) 33.037 12.730 ( 6.373 32.416 0.000) 33.037 13.412 ( -11.592 -13.534 0.000) 17.819 13.412 ( -11.592 13.534 0.000) 17.819 14.766 ( 11.859 -1.943 0.000) 12.017 14.766 ( 11.859 1.943 0.000) 12.017 15.465 ( -6.625 -8.216 0.000) 10.555 15.465 ( -6.625 8.216 0.000) 10.555 16.540 ( 1.549 -25.789 0.000) 25.836 16.540 ( 1.549 25.789 0.000) 25.836 16.655 ( -1.302 -22.527 0.000) 22.564 16.655 ( -1.302 22.527 0.000) 22.564 19.144 ( 5.996 -14.265 0.000) 15.473 19.144 ( 5.996 14.265 0.000) 15.473 19.620 ( -5.261 -5.790 0.000) 7.824 19.620 ( -5.261 5.790 0.000) 7.824 ======================= Grid point 39 (24/168) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 1.886 -16.001 0.000) 16.112 4.114 ( 1.886 16.001 0.000) 16.112 4.146 ( -1.392 -14.082 0.000) 14.151 4.146 ( -1.392 14.082 0.000) 14.151 4.943 ( 13.983 -18.231 0.000) 22.976 4.943 ( 13.983 18.231 0.000) 22.976 5.225 ( -14.064 -25.488 0.000) 29.111 5.225 ( -14.064 25.488 0.000) 29.111 7.955 ( 15.233 -16.330 0.000) 22.332 7.955 ( 15.233 16.330 0.000) 22.332 8.260 ( -15.148 -15.138 0.000) 21.415 8.260 ( -15.148 15.138 0.000) 21.415 9.088 ( 3.452 -16.666 0.000) 17.020 9.088 ( 3.452 16.666 0.000) 17.020 9.152 ( -2.813 -15.830 0.000) 16.078 9.152 ( -2.813 15.830 0.000) 16.078 10.618 ( 11.219 -7.084 0.000) 13.268 10.618 ( 11.219 7.084 0.000) 13.268 10.847 ( -11.737 -4.885 0.000) 12.713 10.847 ( -11.737 4.885 0.000) 12.713 12.905 ( 11.340 -27.449 0.000) 29.700 12.905 ( 11.340 27.449 0.000) 29.700 13.154 ( -13.799 -20.709 0.000) 24.885 13.154 ( -13.799 20.709 0.000) 24.885 15.030 ( 14.118 -3.324 0.000) 14.504 15.030 ( 14.118 3.324 0.000) 14.504 15.285 ( -11.623 -5.517 0.000) 12.865 15.285 ( -11.623 5.517 0.000) 12.865 16.579 ( 2.221 -23.828 0.000) 23.932 16.579 ( 2.221 23.828 0.000) 23.932 16.621 ( -2.088 -22.696 0.000) 22.792 16.621 ( -2.088 22.696 0.000) 22.792 19.298 ( 9.271 -10.054 0.000) 13.676 19.298 ( 9.271 10.054 0.000) 13.676 19.479 ( -8.823 -6.312 0.000) 10.849 19.479 ( -8.823 6.312 0.000) 10.849 ======================= Grid point 75 (25/168) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 0.000 40.632) 40.632 1.007 ( 0.000 0.000 47.984) 47.984 1.462 ( 0.000 0.000 69.647) 69.647 3.077 ( 0.000 0.000 4.633) 4.633 3.676 ( 0.000 0.000 9.949) 9.949 3.680 ( 0.000 0.000 5.849) 5.849 3.708 ( 0.000 0.000 19.286) 19.286 4.612 ( 0.000 0.000 -1.763) 1.763 5.328 ( 0.000 0.000 -10.400) 10.400 6.068 ( 0.000 0.000 9.106) 9.106 6.257 ( 0.000 0.000 31.094) 31.094 7.106 ( 0.000 0.000 3.597) 3.597 7.425 ( 0.000 0.000 9.485) 9.485 7.427 ( 0.000 0.000 6.216) 6.216 7.470 ( 0.000 0.000 9.573) 9.573 8.755 ( 0.000 0.000 4.302) 4.302 9.762 ( 0.000 0.000 -1.580) 1.580 9.908 ( 0.000 0.000 -5.839) 5.839 10.951 ( 0.000 0.000 -15.214) 15.214 12.281 ( 0.000 0.000 0.855) 0.855 12.704 ( 0.000 0.000 5.581) 5.581 12.845 ( 0.000 0.000 16.728) 16.728 13.252 ( 0.000 0.000 -5.880) 5.880 13.473 ( 0.000 0.000 -9.876) 9.876 13.674 ( 0.000 0.000 3.023) 3.023 14.190 ( 0.000 0.000 0.389) 0.389 15.109 ( 0.000 0.000 -1.583) 1.583 16.807 ( 0.000 0.000 -2.591) 2.591 16.912 ( 0.000 0.000 -4.720) 4.720 16.953 ( 0.000 0.000 -4.217) 4.217 18.002 ( 0.000 0.000 -39.752) 39.752 18.473 ( 0.000 0.000 -14.203) 14.203 19.369 ( 0.000 0.000 24.376) 24.376 20.013 ( 0.000 0.000 4.728) 4.728 21.557 ( 0.000 0.000 -3.368) 3.368 21.617 ( 0.000 0.000 -2.176) 2.176 ======================= Grid point 76 (26/168) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 28.708 0.000 29.012) 40.815 1.233 ( 20.929 0.000 37.823) 43.228 2.084 ( 52.442 0.000 47.386) 70.679 2.790 ( -23.507 0.000 8.519) 25.003 3.136 ( -30.168 0.000 15.395) 33.869 3.893 ( 15.924 0.000 3.206) 16.244 4.133 ( 19.072 0.000 12.803) 22.971 4.564 ( -4.914 0.000 -1.493) 5.136 5.093 ( -19.883 0.000 5.842) 20.724 5.668 ( -27.276 0.000 15.622) 31.433 6.049 ( -15.495 0.000 23.372) 28.042 6.367 ( -28.376 0.000 28.053) 39.902 7.429 ( 0.441 0.000 9.494) 9.504 7.466 ( -0.421 0.000 9.566) 9.575 8.029 ( 43.897 0.000 1.008) 43.909 9.676 ( 17.039 0.000 -24.103) 29.518 9.803 ( -2.687 0.000 -8.762) 9.165 10.569 ( 68.249 0.000 -35.177) 76.781 10.892 ( -4.452 0.000 -17.455) 18.014 12.310 ( 2.982 0.000 0.920) 3.121 12.641 ( -5.680 0.000 4.020) 6.959 12.864 ( -1.557 0.000 11.285) 11.392 13.149 ( -24.902 0.000 -1.317) 24.937 13.315 ( 5.670 0.000 -3.931) 6.900 13.645 ( -2.978 0.000 2.548) 3.919 13.813 ( -25.947 0.000 19.769) 32.620 15.506 ( 29.522 0.000 -7.747) 30.522 16.728 ( -8.291 0.000 -3.173) 8.877 16.916 ( 0.399 0.000 -4.667) 4.684 16.949 ( -0.382 0.000 -4.260) 4.277 18.033 ( 2.940 0.000 -38.348) 38.461 18.380 ( -8.167 0.000 -15.493) 17.514 19.341 ( -2.397 0.000 24.898) 25.013 19.622 ( -20.601 0.000 28.464) 35.137 21.538 ( -1.309 0.000 -1.708) 2.152 21.570 ( -1.519 0.000 -0.540) 1.612 ======================= Grid point 77 (27/168) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 28.041 0.000 24.184) 37.029 1.785 ( 35.393 0.000 20.548) 40.925 2.278 ( -28.162 0.000 14.914) 31.867 2.459 ( -32.406 0.000 18.373) 37.252 3.283 ( 60.339 0.000 22.139) 64.272 4.191 ( 13.949 0.000 0.824) 13.973 4.294 ( -22.283 0.000 3.018) 22.486 4.422 ( -9.680 0.000 -0.662) 9.703 4.713 ( -9.688 0.000 16.307) 18.967 4.945 ( -26.919 0.000 24.068) 36.110 5.975 ( 5.143 0.000 21.465) 22.072 6.114 ( -8.218 0.000 22.284) 23.751 7.441 ( 0.703 0.000 9.518) 9.543 7.455 ( -0.691 0.000 9.545) 9.570 8.811 ( 35.733 0.000 -3.969) 35.953 9.400 ( -24.650 0.000 -6.719) 25.550 10.207 ( 25.204 0.000 -17.795) 30.853 10.637 ( -17.512 0.000 -17.048) 24.439 11.644 ( 41.401 0.000 -26.687) 49.257 12.377 ( -36.243 0.000 -11.440) 38.006 12.393 ( 5.445 0.000 1.241) 5.585 12.515 ( -6.766 0.000 2.158) 7.101 13.100 ( 10.406 0.000 20.780) 23.239 13.379 ( -18.281 0.000 23.832) 30.036 13.441 ( 6.752 0.000 -1.043) 6.832 13.562 ( -5.435 0.000 1.165) 5.558 16.059 ( 25.841 0.000 -7.169) 26.817 16.480 ( -17.314 0.000 -4.917) 17.998 16.927 ( 0.637 0.000 -4.534) 4.579 16.939 ( -0.626 0.000 -4.379) 4.424 18.108 ( 4.770 0.000 -32.708) 33.054 18.223 ( -7.157 0.000 -23.550) 24.614 19.321 ( 1.286 0.000 24.746) 24.779 19.393 ( -6.207 0.000 25.791) 26.527 21.532 ( 0.508 0.000 -1.530) 1.612 21.548 ( -0.998 0.000 -1.586) 1.874 ======================= Grid point 80 (28/168) ======================= q-point: ( 0.00 0.07 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 22.547 16.715) 28.067 1.134 ( 0.000 25.404 28.374) 38.084 2.465 ( 0.000 60.940 56.183) 82.887 3.225 ( 0.000 13.469 0.482) 13.477 3.619 ( 0.000 -3.076 7.373) 7.989 3.902 ( 0.000 17.297 17.200) 24.393 3.911 ( 0.000 19.815 6.606) 20.888 4.908 ( 0.000 25.818 -3.469) 26.050 5.295 ( 0.000 -1.191 12.667) 12.723 5.691 ( 0.000 -7.252 20.139) 21.405 6.070 ( 0.000 0.268 9.457) 9.460 6.923 ( 0.000 -11.283 9.388) 14.678 7.202 ( 0.000 4.913 17.175) 17.864 7.751 ( 0.000 20.542 1.889) 20.629 8.765 ( 0.000 37.984 -40.910) 55.825 8.812 ( 0.000 5.480 6.215) 8.286 9.807 ( 0.000 1.669 -0.709) 1.813 9.824 ( 0.000 -4.625 -7.832) 9.096 10.984 ( 0.000 3.175 -16.367) 16.672 12.223 ( 0.000 -11.763 6.943) 13.660 12.636 ( 0.000 2.682 -5.660) 6.263 12.699 ( 0.000 -12.900 9.779) 16.187 13.295 ( 0.000 3.418 -7.657) 8.386 13.540 ( 0.000 6.014 -1.357) 6.165 13.548 ( 0.000 -7.244 0.516) 7.262 14.201 ( 0.000 1.178 -1.193) 1.677 15.355 ( 0.000 14.954 -4.639) 15.657 16.823 ( 0.000 -10.122 -4.822) 11.212 16.832 ( 0.000 -1.293 0.020) 1.293 16.861 ( 0.000 -7.359 -3.025) 7.957 18.043 ( 0.000 2.587 -39.934) 40.018 18.438 ( 0.000 -3.409 -13.390) 13.817 19.432 ( 0.000 3.064 22.386) 22.595 20.002 ( 0.000 -1.108 4.472) 4.607 21.303 ( 0.000 -18.091 13.981) 22.864 21.430 ( 0.000 -11.606 -2.469) 11.866 ======================= Grid point 81 (29/168) ======================= q-point: ( 0.20 0.07 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 27.019 19.739 8.337) 34.484 1.622 ( 35.683 19.473 20.761) 45.645 2.691 ( 19.698 45.892 45.540) 67.587 2.956 ( -17.807 17.314 7.080) 25.826 3.257 ( -24.564 11.078 12.506) 29.707 4.081 ( 14.731 16.202 4.067) 22.272 4.186 ( 15.757 7.548 12.396) 21.422 4.856 ( -5.592 24.454 -3.239) 25.293 5.150 ( -11.737 7.209 13.256) 19.117 5.630 ( -11.384 2.417 10.042) 15.372 6.023 ( -12.205 1.353 15.127) 19.483 6.243 ( -26.140 -6.195 24.045) 36.054 7.558 ( 6.703 7.604 9.777) 14.084 7.985 ( -21.511 30.500 2.162) 37.385 8.122 ( 33.855 11.332 -0.661) 35.707 9.612 ( 25.939 -8.211 -21.479) 34.664 9.708 ( -11.640 -5.341 -7.836) 15.014 10.472 ( 55.579 -4.850 -15.314) 57.854 10.887 ( -9.635 -0.081 -16.824) 19.388 12.265 ( 3.811 -10.660 6.565) 13.087 12.542 ( -7.673 -3.525 -1.748) 8.623 12.802 ( 8.291 -5.297 4.650) 10.882 13.075 ( -24.916 -2.697 -9.891) 26.943 13.440 ( -3.215 9.276 3.699) 10.491 13.530 ( -2.362 -3.992 0.436) 4.659 13.972 ( -17.888 8.134 9.063) 21.640 15.657 ( 25.053 10.461 -6.094) 27.825 16.767 ( -6.801 -0.434 -2.414) 7.230 16.821 ( -0.087 -9.889 -4.736) 10.965 16.858 ( -0.570 -7.168 -2.896) 7.752 18.076 ( 3.240 2.881 -37.689) 37.937 18.390 ( -4.687 -0.778 -16.028) 16.717 19.417 ( -1.377 3.642 22.118) 22.458 19.713 ( -19.746 7.927 18.438) 28.155 21.329 ( 1.850 -16.741 6.652) 18.109 21.423 ( -0.825 -12.192 -1.824) 12.355 ======================= Grid point 82 (30/168) ======================= q-point: ( 0.40 0.07 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 33.940 12.517 5.707) 36.622 2.234 ( 26.321 24.587 19.674) 41.041 2.342 ( -30.935 9.821 4.931) 32.829 2.738 ( -25.093 20.789 16.616) 36.578 3.570 ( 51.128 27.698 27.386) 64.275 4.342 ( 9.891 12.773 1.782) 16.253 4.402 ( 1.536 8.364 7.699) 11.471 4.565 ( -32.804 15.363 1.041) 36.239 4.938 ( -5.723 20.234 12.507) 24.466 5.073 ( -22.019 13.629 21.578) 33.708 5.939 ( 4.829 -1.672 17.997) 18.709 6.057 ( -6.213 -3.530 18.358) 19.700 7.633 ( 3.321 15.246 8.360) 17.702 7.726 ( -7.195 22.350 7.257) 24.575 8.815 ( 33.117 0.380 -4.198) 33.384 9.366 ( -23.234 -3.824 -6.074) 24.317 10.114 ( 26.259 -7.600 -17.916) 32.685 10.581 ( -20.383 -4.889 -16.939) 26.950 11.457 ( 43.070 -12.280 -13.483) 46.772 12.168 ( -26.852 -11.621 -1.581) 29.302 12.424 ( 4.586 -2.320 -1.890) 5.476 12.609 ( -15.554 -2.510 -2.977) 16.034 13.014 ( 13.245 -1.029 3.929) 13.853 13.287 ( -13.188 -0.457 1.208) 13.251 13.550 ( 4.428 6.630 7.947) 11.257 13.684 ( -10.156 9.264 13.397) 19.195 16.155 ( 24.129 6.555 -6.353) 25.798 16.549 ( -15.893 3.339 -5.058) 17.009 16.826 ( 0.621 -9.607 -4.288) 10.539 16.842 ( -0.923 -8.544 -3.623) 9.326 18.161 ( 5.291 3.557 -31.504) 32.142 18.276 ( -6.398 2.947 -23.183) 24.229 19.397 ( 0.021 4.986 21.948) 22.507 19.453 ( -6.942 6.907 22.665) 24.690 21.365 ( 1.857 -14.786 1.442) 14.971 21.399 ( -1.593 -13.294 -0.673) 13.406 ======================= Grid point 85 (31/168) ======================= q-point: ( 0.00 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.000 44.720 -13.517) 46.718 1.736 ( 0.000 30.947 16.049) 34.861 3.565 ( 0.000 21.268 -4.451) 21.729 3.601 ( 0.000 1.988 2.668) 3.327 3.722 ( 0.000 54.696 43.613) 69.955 4.309 ( 0.000 20.048 11.960) 23.344 4.384 ( 0.000 22.790 6.926) 23.819 5.457 ( 0.000 17.739 13.263) 22.149 5.555 ( 0.000 34.077 -8.173) 35.044 5.817 ( 0.000 14.440 9.162) 17.101 6.073 ( 0.000 -0.727 10.005) 10.031 6.751 ( 0.000 -3.088 14.220) 14.551 7.389 ( 0.000 12.915 11.473) 17.275 8.207 ( 0.000 22.343 -6.187) 23.183 8.976 ( 0.000 10.129 10.806) 14.811 9.119 ( 0.000 2.511 -20.851) 21.002 9.618 ( 0.000 -9.024 -10.607) 13.926 9.968 ( 0.000 9.577 -4.175) 10.447 11.075 ( 0.000 5.247 -19.383) 20.081 11.829 ( 0.000 -22.419 5.837) 23.167 12.353 ( 0.000 -19.995 1.024) 20.021 12.814 ( 0.000 11.428 -11.375) 16.124 13.362 ( 0.000 2.719 -8.771) 9.183 13.515 ( 0.000 4.734 -2.374) 5.296 13.714 ( 0.000 10.673 6.346) 12.418 14.246 ( 0.000 3.282 -4.567) 5.624 15.593 ( 0.000 7.973 -1.115) 8.051 16.508 ( 0.000 -19.456 -4.335) 19.933 16.645 ( 0.000 -14.010 0.145) 14.010 16.723 ( 0.000 -8.535 4.119) 9.477 18.059 ( 0.000 -1.930 -35.591) 35.644 18.331 ( 0.000 -7.031 -11.475) 13.458 19.442 ( 0.000 -2.183 23.757) 23.857 19.963 ( 0.000 -2.772 3.989) 4.858 20.997 ( 0.000 -12.770 10.618) 16.607 21.116 ( 0.000 -17.733 -0.325) 17.736 ======================= Grid point 86 (32/168) ======================= q-point: ( 0.20 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 15.626 39.980 -11.631) 44.473 2.069 ( 29.083 23.563 12.022) 39.314 3.245 ( -23.897 18.174 -2.189) 30.102 3.509 ( -14.070 12.930 2.775) 19.310 3.859 ( 15.151 53.112 41.422) 69.038 4.406 ( 9.194 14.733 10.967) 20.539 4.502 ( 9.103 19.276 4.369) 21.760 5.387 ( -6.530 23.351 6.990) 25.234 5.518 ( -4.097 30.162 -1.589) 30.480 5.842 ( -0.208 16.017 7.143) 17.539 6.071 ( -2.317 -2.931 13.697) 14.197 6.222 ( -33.862 12.180 19.442) 40.902 7.723 ( 18.053 8.131 8.952) 21.729 8.344 ( 10.035 15.451 -6.400) 19.504 8.585 ( -14.550 22.022 4.140) 26.718 9.344 ( 5.472 -15.965 -6.642) 18.137 9.657 ( 6.030 -0.070 -16.636) 17.696 10.448 ( 40.761 2.438 -4.877) 41.124 10.890 ( -17.059 0.213 -17.182) 24.213 11.924 ( 7.499 -18.578 3.071) 20.268 12.319 ( -3.549 -18.188 -0.551) 18.539 12.790 ( -9.854 1.902 -11.725) 15.434 13.123 ( -11.571 7.860 -6.515) 15.431 13.545 ( -2.429 6.936 -3.652) 8.206 13.682 ( 0.118 12.314 7.820) 14.588 14.118 ( -11.374 6.793 1.805) 13.370 15.826 ( 20.126 5.083 -3.109) 20.989 16.514 ( 0.762 -18.679 -3.560) 19.030 16.600 ( -3.630 -14.508 -2.075) 15.098 16.719 ( -1.699 -7.527 2.199) 8.024 18.098 ( 3.736 -1.791 -33.024) 33.283 18.317 ( -1.445 -6.194 -13.226) 14.676 19.441 ( 0.317 -1.053 22.537) 22.564 19.847 ( -10.676 3.441 7.433) 13.456 20.986 ( -0.337 -15.570 8.507) 17.746 21.098 ( -1.766 -18.123 0.268) 18.211 ======================= Grid point 87 (33/168) ======================= q-point: ( 0.40 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 25.020 30.529 -7.782) 40.232 2.615 ( 9.196 15.518 -0.296) 18.041 2.768 ( -9.166 26.432 4.834) 28.390 3.153 ( -21.288 17.795 6.933) 28.599 4.334 ( 33.317 41.532 30.399) 61.311 4.585 ( 7.437 9.977 7.531) 14.545 4.639 ( 3.090 14.266 5.215) 15.500 5.060 ( -33.661 29.646 12.108) 46.460 5.439 ( -1.312 27.869 7.482) 28.886 5.533 ( -13.488 26.850 11.641) 32.224 5.985 ( 3.297 8.043 13.281) 15.873 6.055 ( -3.109 6.402 12.776) 14.625 7.978 ( 10.371 15.781 6.683) 20.031 8.189 ( -12.371 20.295 4.838) 24.256 8.833 ( 22.386 1.815 -4.642) 22.935 9.215 ( -15.393 -10.834 -4.621) 19.382 9.987 ( 24.140 -2.766 -17.394) 29.882 10.476 ( -24.524 -4.121 -16.274) 29.720 11.282 ( 42.348 -3.915 -5.031) 42.825 11.955 ( -16.479 -9.386 0.326) 18.968 12.225 ( -1.704 -15.270 -5.138) 16.201 12.370 ( -17.476 -15.078 -6.522) 23.985 13.184 ( 10.795 13.663 -6.733) 18.669 13.407 ( -10.486 10.773 -7.117) 16.634 13.743 ( 5.253 11.624 10.806) 16.717 13.890 ( -10.272 10.788 10.867) 18.438 16.228 ( 18.730 -0.949 -5.735) 19.611 16.489 ( -7.467 -11.935 -5.269) 15.032 16.557 ( 2.193 -15.333 -2.872) 15.753 16.639 ( -5.664 -8.634 0.558) 10.341 18.186 ( 4.890 -2.114 -26.430) 26.961 18.270 ( -3.475 -3.992 -18.653) 19.389 19.479 ( 4.324 2.870 18.904) 19.603 19.624 ( -10.444 7.064 13.496) 18.469 21.003 ( 2.023 -18.636 4.753) 19.339 21.053 ( -2.735 -18.864 1.938) 19.160 ======================= Grid point 90 (34/168) ======================= q-point: ( 0.00 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.000 29.750 8.474) 30.933 2.458 ( 0.000 35.257 -8.817) 36.342 3.711 ( 0.000 8.656 -0.718) 8.685 3.936 ( 0.000 15.355 -10.888) 18.824 4.535 ( 0.000 15.828 10.891) 19.213 4.749 ( 0.000 11.308 5.478) 12.565 4.924 ( 0.000 45.176 23.754) 51.041 5.900 ( 0.000 -10.785 7.237) 12.988 5.984 ( 0.000 30.017 8.688) 31.249 6.213 ( 0.000 23.932 17.017) 29.365 6.311 ( 0.000 32.501 -8.256) 33.533 6.903 ( 0.000 17.885 15.746) 23.828 7.735 ( 0.000 20.464 3.433) 20.750 8.639 ( 0.000 18.997 -10.285) 21.603 8.927 ( 0.000 -18.879 -6.528) 19.976 9.210 ( 0.000 11.800 14.077) 18.369 9.581 ( 0.000 5.435 -17.499) 18.324 10.201 ( 0.000 13.181 -6.377) 14.643 11.176 ( 0.000 3.648 -22.453) 22.747 11.406 ( 0.000 -16.817 3.177) 17.114 11.893 ( 0.000 -23.914 -5.434) 24.523 13.046 ( 0.000 10.179 -10.140) 14.367 13.422 ( 0.000 3.815 -5.900) 7.026 13.718 ( 0.000 13.793 -4.981) 14.665 13.941 ( 0.000 9.165 0.585) 9.184 14.351 ( 0.000 7.886 -5.183) 9.437 15.705 ( 0.000 3.645 1.105) 3.809 16.045 ( 0.000 -24.799 -3.761) 25.082 16.296 ( 0.000 -18.629 6.439) 19.711 16.508 ( 0.000 -11.688 4.720) 12.605 17.946 ( 0.000 -8.971 -29.497) 30.831 18.145 ( 0.000 -10.976 -9.284) 14.376 19.347 ( 0.000 -6.783 23.852) 24.798 19.886 ( 0.000 -4.588 3.735) 5.916 20.734 ( 0.000 -18.707 2.088) 18.823 20.738 ( 0.000 -12.775 7.012) 14.573 ======================= Grid point 91 (35/168) ======================= q-point: ( 0.20 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 10.070 32.140 -6.701) 34.341 2.569 ( 17.167 24.806 4.525) 30.504 3.585 ( -12.325 15.107 -0.824) 19.514 3.794 ( -12.833 14.519 -6.492) 20.436 4.606 ( 6.773 11.531 10.904) 17.255 4.807 ( 4.281 12.378 4.443) 13.831 4.972 ( 5.969 42.007 19.959) 46.889 5.805 ( -8.042 -0.115 6.660) 10.443 6.029 ( 2.287 22.703 8.307) 24.283 6.198 ( -2.595 28.038 12.156) 30.669 6.306 ( -0.440 29.132 1.632) 29.181 6.687 ( -15.797 28.684 13.599) 35.458 7.922 ( 14.810 12.088 4.207) 19.574 8.666 ( -0.225 13.579 -6.935) 15.249 8.881 ( -4.661 -5.087 -3.239) 7.622 9.068 ( -5.585 3.049 5.650) 8.510 9.717 ( 11.311 5.969 -16.323) 20.737 10.562 ( 31.372 8.248 -5.594) 32.917 10.894 ( -20.187 0.491 -13.890) 24.509 11.583 ( 10.225 -13.775 -5.553) 18.031 11.880 ( -1.427 -23.122 -6.276) 24.001 12.817 ( -26.435 1.394 -10.020) 28.305 13.352 ( 1.693 12.692 -5.953) 14.120 13.768 ( -0.383 13.286 -5.714) 14.468 13.936 ( 1.493 11.091 2.566) 11.482 14.286 ( -6.152 10.509 -0.863) 12.208 15.860 ( 12.320 -2.733 -3.441) 13.081 16.078 ( 4.099 -21.661 -0.522) 22.052 16.240 ( -4.303 -19.055 2.866) 19.744 16.523 ( 0.147 -10.915 4.233) 11.708 17.985 ( 3.585 -9.118 -26.798) 28.532 18.140 ( -0.584 -10.893 -10.362) 15.046 19.375 ( 3.366 -5.220 21.581) 22.457 19.851 ( -4.349 -2.543 5.059) 7.140 20.682 ( -4.360 -14.140 7.090) 16.408 20.712 ( -2.143 -18.710 2.607) 19.012 ======================= Grid point 92 (36/168) ======================= q-point: ( 0.40 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 14.702 26.074 -7.092) 30.762 2.920 ( 11.317 14.089 -2.672) 18.268 3.325 ( -8.068 26.135 2.578) 27.474 3.496 ( -16.679 16.897 0.369) 23.745 4.757 ( 7.529 6.321 8.736) 13.151 4.852 ( -1.243 8.185 4.932) 9.636 5.186 ( 16.637 34.355 15.158) 41.071 5.557 ( -18.239 13.687 8.995) 24.513 6.054 ( 0.743 27.877 7.993) 29.010 6.096 ( -4.774 34.592 8.975) 36.055 6.341 ( 4.243 26.191 10.991) 28.719 6.458 ( -7.934 29.930 9.695) 32.446 8.216 ( 14.838 6.894 4.268) 16.909 8.496 ( -13.807 6.694 2.981) 15.631 8.913 ( 5.705 4.931 -4.701) 8.886 9.007 ( -3.297 -3.390 -1.849) 5.078 10.018 ( 19.606 5.107 -15.387) 25.440 10.446 ( -23.362 1.481 -13.962) 27.257 11.287 ( 38.803 3.963 -5.512) 39.392 11.731 ( 2.736 -13.247 -6.176) 14.870 11.838 ( -1.742 -21.197 -8.605) 22.943 12.159 ( -36.234 -3.661 -8.504) 37.398 13.482 ( 9.481 14.005 -7.475) 18.491 13.666 ( -8.504 12.598 -8.392) 17.362 14.016 ( 5.768 14.716 6.450) 17.071 14.146 ( -7.427 14.469 5.781) 17.261 16.030 ( 5.222 -19.492 -7.426) 21.502 16.117 ( -3.847 -21.361 -2.227) 21.818 16.288 ( 11.208 -8.302 2.576) 14.184 16.470 ( -6.154 -8.829 2.732) 11.103 18.062 ( 3.779 -9.725 -20.327) 22.848 18.118 ( -1.896 -10.503 -13.996) 17.601 19.495 ( 9.048 -1.615 15.929) 18.391 19.700 ( -10.622 0.224 9.518) 14.264 20.630 ( -0.275 -17.177 5.971) 18.187 20.660 ( -2.725 -18.511 4.043) 19.142 ======================= Grid point 95 (37/168) ======================= q-point: ( 0.00 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 0.000 26.565 2.759) 26.707 3.052 ( 0.000 22.620 -0.985) 22.641 3.958 ( 0.000 15.127 -0.739) 15.145 4.192 ( 0.000 9.488 -10.558) 14.194 4.724 ( 0.000 4.565 9.784) 10.797 4.863 ( 0.000 0.927 4.492) 4.587 5.564 ( 0.000 -19.661 8.876) 21.572 5.817 ( 0.000 38.498 5.619) 38.905 6.482 ( 0.000 18.690 8.052) 20.351 6.887 ( 0.000 37.987 17.190) 41.696 6.999 ( 0.000 32.725 -7.365) 33.543 7.363 ( 0.000 23.372 9.260) 25.140 8.209 ( 0.000 24.175 -2.683) 24.323 8.480 ( 0.000 -21.135 -3.665) 21.450 8.982 ( 0.000 13.886 -9.301) 16.713 9.432 ( 0.000 8.911 13.330) 16.035 9.758 ( 0.000 10.023 -14.739) 17.824 10.526 ( 0.000 18.069 -11.701) 21.526 11.175 ( 0.000 -4.718 3.081) 5.635 11.179 ( 0.000 -5.595 -21.678) 22.388 11.404 ( 0.000 -20.832 -11.348) 23.722 13.217 ( 0.000 6.329 -7.227) 9.607 13.540 ( 0.000 7.410 -3.861) 8.356 13.992 ( 0.000 -5.121 -12.819) 13.804 14.039 ( 0.000 16.067 -8.152) 18.017 14.599 ( 0.000 14.521 -4.047) 15.075 15.511 ( 0.000 -25.408 -0.537) 25.413 15.773 ( 0.000 3.513 1.096) 3.680 15.947 ( 0.000 -13.073 13.164) 18.552 16.264 ( 0.000 -11.231 4.952) 12.274 17.697 ( 0.000 -14.722 -23.774) 27.963 17.876 ( 0.000 -15.014 -7.087) 16.603 19.183 ( 0.000 -8.273 23.307) 24.731 19.780 ( 0.000 -5.495 3.732) 6.642 20.351 ( 0.000 -18.313 4.535) 18.866 20.463 ( 0.000 -13.673 5.795) 14.851 ======================= Grid point 96 (38/168) ======================= q-point: ( 0.20 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 8.358 22.172 1.044) 23.718 3.104 ( 5.029 20.956 -1.015) 21.575 3.912 ( -4.529 17.134 1.073) 17.755 4.080 ( -9.873 12.748 -5.936) 17.182 4.721 ( 1.722 0.878 8.638) 8.852 4.931 ( 3.013 1.082 5.914) 6.725 5.597 ( 3.582 -11.754 4.183) 12.980 5.805 ( -0.610 32.742 1.200) 32.770 6.516 ( 3.624 19.705 9.553) 22.196 6.866 ( -2.338 35.290 16.639) 39.086 7.005 ( 0.394 34.653 -3.773) 34.860 7.288 ( -7.290 28.344 8.510) 30.479 8.239 ( 3.237 17.892 -1.861) 18.278 8.484 ( -0.286 -17.598 -3.705) 17.986 8.999 ( 1.593 12.714 -5.989) 14.144 9.293 ( -9.622 10.539 7.935) 16.328 9.884 ( 11.071 9.356 -12.921) 19.418 10.748 ( 11.220 7.408 -10.768) 17.225 10.967 ( -2.643 9.069 -8.812) 12.918 11.312 ( 4.636 -16.287 -10.551) 19.952 11.425 ( 1.493 -16.651 -11.255) 20.153 12.870 ( -30.034 3.866 -7.810) 31.273 13.605 ( 5.204 10.954 -5.086) 13.151 13.934 ( -3.770 -1.569 -12.879) 13.511 14.184 ( 9.723 15.254 -4.164) 18.563 14.573 ( -2.718 15.992 -2.494) 16.412 15.511 ( 0.800 -24.307 -2.582) 24.456 15.801 ( -4.106 -12.515 5.328) 14.208 15.958 ( 7.567 -3.433 6.067) 10.289 16.295 ( 1.687 -10.426 5.376) 11.851 17.731 ( 3.103 -15.031 -21.155) 26.136 17.869 ( -0.716 -15.206 -7.911) 17.156 19.242 ( 6.201 -7.021 20.873) 22.878 19.765 ( -2.228 -5.182 4.841) 7.433 20.333 ( -1.734 -17.948 4.765) 18.651 20.393 ( -6.116 -13.860 6.220) 16.377 ======================= Grid point 97 (39/168) ======================= q-point: ( 0.40 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 6.075 13.982 -2.681) 15.479 3.214 ( 4.709 15.634 -2.226) 16.479 3.822 ( -2.657 22.128 4.385) 22.714 3.882 ( -8.559 19.795 1.346) 21.609 4.801 ( 5.855 -1.961 8.331) 10.370 4.913 ( -4.516 -2.147 8.401) 9.777 5.699 ( 6.116 5.739 -4.366) 9.456 5.788 ( -2.271 18.882 -5.144) 19.702 6.626 ( 7.615 23.802 12.861) 28.105 6.780 ( -6.847 29.784 15.252) 34.156 7.026 ( 2.572 37.009 3.195) 37.236 7.126 ( -7.722 34.525 6.108) 35.902 8.330 ( 5.752 6.251 -0.614) 8.517 8.438 ( -4.582 -6.447 -1.686) 8.087 9.049 ( 3.770 9.875 -1.206) 10.639 9.143 ( -5.917 9.701 1.504) 11.462 10.162 ( 17.127 8.031 -11.574) 22.177 10.521 ( -18.821 5.021 -10.045) 21.917 11.341 ( 10.742 -10.133 -14.435) 20.650 11.394 ( 2.399 -20.034 -12.318) 23.640 11.521 ( 23.538 4.437 -6.427) 24.800 12.195 ( -37.259 6.117 -7.928) 38.581 13.722 ( 6.492 8.201 -7.847) 13.075 13.843 ( -5.633 2.699 -10.999) 12.649 14.359 ( 8.061 18.274 -0.091) 19.973 14.492 ( -5.592 18.349 0.129) 19.183 15.558 ( 4.127 -23.292 -2.485) 23.785 15.669 ( -7.054 -20.137 1.673) 21.402 16.155 ( 9.569 -5.147 3.770) 11.501 16.284 ( -3.444 -8.510 4.464) 10.208 17.797 ( 3.194 -15.565 -15.458) 22.168 17.846 ( -1.804 -15.579 -10.589) 18.923 19.422 ( 11.886 -4.780 15.040) 19.756 19.652 ( -9.909 -4.178 8.823) 13.909 20.293 ( -2.031 -16.231 5.805) 17.357 20.297 ( -2.231 -15.941 5.749) 17.092 ======================= Grid point 100 (40/168) ======================= q-point: ( 0.00 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 0.000 15.275 1.700) 15.370 3.464 ( 0.000 22.762 -0.465) 22.767 4.321 ( 0.000 18.723 -0.938) 18.746 4.344 ( 0.000 5.695 -5.434) 7.872 4.738 ( 0.000 -2.914 12.265) 12.606 4.836 ( 0.000 -2.314 5.825) 6.268 5.135 ( 0.000 -20.526 9.447) 22.596 6.370 ( 0.000 9.405 1.005) 9.459 6.861 ( 0.000 19.273 -3.181) 19.534 7.564 ( 0.000 17.923 -3.204) 18.207 7.585 ( 0.000 26.325 6.917) 27.218 7.840 ( 0.000 24.427 -0.748) 24.439 8.260 ( 0.000 6.908 2.857) 7.475 8.677 ( 0.000 19.583 -4.879) 20.182 9.194 ( 0.000 5.914 -7.293) 9.390 9.551 ( 0.000 1.975 10.746) 10.926 9.952 ( 0.000 8.305 -11.266) 13.996 10.846 ( 0.000 -20.303 -13.968) 24.643 10.858 ( 0.000 10.122 -12.088) 15.767 11.173 ( 0.000 -6.276 -18.630) 19.658 11.286 ( 0.000 18.189 -1.999) 18.299 13.319 ( 0.000 4.010 -3.347) 5.223 13.610 ( 0.000 -10.800 -12.264) 16.342 13.824 ( 0.000 -1.756 -6.732) 6.957 14.332 ( 0.000 11.199 -11.551) 16.089 14.721 ( 0.000 -10.708 -16.033) 19.280 15.195 ( 0.000 2.623 9.861) 10.204 15.830 ( 0.000 2.758 13.195) 13.480 15.835 ( 0.000 -0.240 -2.697) 2.708 16.105 ( 0.000 -0.696 8.011) 8.041 17.352 ( 0.000 -18.366 -17.893) 25.641 17.529 ( 0.000 -18.407 -4.642) 18.983 19.043 ( 0.000 -4.332 21.667) 22.096 19.669 ( 0.000 -5.199 3.233) 6.122 19.978 ( 0.000 -17.330 7.975) 19.077 20.181 ( 0.000 -13.368 5.854) 14.594 ======================= Grid point 101 (41/168) ======================= q-point: ( 0.20 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 2.008 14.971 0.546) 15.115 3.489 ( 2.043 19.913 -0.008) 20.017 4.268 ( -3.256 13.915 -0.411) 14.297 4.346 ( -1.364 15.492 -0.178) 15.553 4.669 ( -1.807 -5.377 8.848) 10.510 4.872 ( -1.376 -5.616 11.207) 12.610 5.295 ( 15.494 -15.611 2.473) 22.133 6.260 ( -10.643 5.842 -3.320) 12.587 6.901 ( 5.164 18.702 0.594) 19.411 7.485 ( -6.750 24.760 4.605) 26.073 7.676 ( 5.709 27.604 -0.454) 28.192 7.859 ( 1.444 24.531 0.747) 24.585 8.285 ( 2.794 4.391 0.453) 5.225 8.615 ( -5.214 16.344 -4.210) 17.665 9.209 ( 1.169 6.681 -4.368) 8.067 9.449 ( -7.868 3.987 6.567) 10.996 10.066 ( 10.258 7.683 -9.281) 15.824 10.839 ( -4.136 0.341 -9.123) 10.022 10.894 ( 2.455 -16.624 -12.086) 20.699 11.124 ( -1.978 -5.147 -18.447) 19.253 11.403 ( 12.743 19.827 -6.289) 24.394 12.976 ( -27.712 6.403 -6.122) 29.093 13.670 ( 3.060 -14.764 -14.723) 21.074 13.816 ( -1.331 -0.160 -5.955) 6.104 14.487 ( 12.853 12.052 -8.331) 19.490 14.773 ( 4.645 -4.072 -13.655) 14.987 15.173 ( -1.745 -0.160 8.736) 8.910 15.621 ( -12.660 -3.249 5.178) 14.059 15.979 ( 6.853 3.645 4.239) 8.844 16.140 ( 2.442 -2.184 7.612) 8.287 17.378 ( 2.408 -18.808 -15.709) 24.623 17.517 ( -1.213 -18.705 -5.332) 19.488 19.120 ( 7.822 -3.854 19.526) 21.384 19.657 ( -1.809 -4.973 4.621) 7.025 19.969 ( -0.856 -17.058 7.597) 18.693 20.113 ( -6.185 -13.037 6.265) 15.731 ======================= Grid point 102 (42/168) ======================= q-point: ( 0.40 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( 2.182 13.759 -0.622) 13.945 3.517 ( 0.333 15.431 -0.381) 15.440 4.239 ( 0.744 17.664 3.958) 18.117 4.290 ( -3.712 19.527 4.700) 20.425 4.697 ( 4.011 -7.502 7.443) 11.303 4.796 ( -5.399 -7.870 9.940) 13.780 5.647 ( 19.028 -9.588 -3.572) 21.605 5.994 ( -16.183 -2.334 -6.028) 17.426 7.069 ( 11.405 20.614 3.750) 23.856 7.303 ( -11.571 23.212 4.865) 26.388 7.772 ( 4.431 33.439 -0.115) 33.732 7.849 ( -2.914 31.612 1.730) 31.793 8.379 ( 6.491 2.649 -1.883) 7.259 8.505 ( -6.095 8.950 -2.188) 11.047 9.238 ( 2.330 6.991 -0.216) 7.372 9.314 ( -5.513 5.876 1.821) 8.260 10.319 ( 15.223 6.572 -7.971) 18.398 10.625 ( -15.154 4.523 -7.197) 17.376 10.977 ( 5.250 -17.196 -13.407) 22.428 11.073 ( -4.099 -13.183 -14.814) 20.249 11.803 ( 26.888 18.425 -9.608) 33.982 12.384 ( -31.600 11.785 -8.753) 34.843 13.723 ( 2.662 -12.881 -14.082) 19.269 13.775 ( -2.603 -6.183 -10.083) 12.110 14.727 ( 10.271 15.728 -3.926) 19.190 14.838 ( -0.297 12.091 -7.455) 14.208 15.180 ( 4.598 -9.772 4.647) 11.757 15.365 ( -12.786 -8.008 2.996) 15.381 16.099 ( 5.060 0.696 4.784) 6.998 16.159 ( -0.960 -2.009 6.203) 6.591 17.432 ( 2.876 -19.404 -11.235) 22.605 17.483 ( -2.243 -19.280 -7.484) 20.803 19.328 ( 12.729 -3.519 14.549) 19.649 19.558 ( -9.195 -4.161 8.974) 13.505 19.957 ( 0.209 -15.684 6.734) 17.070 19.997 ( -4.288 -13.523 6.566) 15.632 ======================= Grid point 105 (43/168) ======================= q-point: ( 0.00 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 0.000 14.707 1.521) 14.786 3.887 ( 0.000 17.844 0.735) 17.859 4.418 ( 0.000 -0.235 2.793) 2.802 4.467 ( 0.000 -11.374 -0.392) 11.381 4.643 ( 0.000 -3.912 8.390) 9.257 4.781 ( 0.000 -7.611 2.659) 8.062 5.010 ( 0.000 20.799 11.620) 23.825 6.170 ( 0.000 -23.792 1.878) 23.866 7.243 ( 0.000 17.173 -6.255) 18.277 7.717 ( 0.000 -1.412 -2.975) 3.293 8.080 ( 0.000 23.981 -8.407) 25.412 8.316 ( 0.000 18.148 -7.019) 19.458 8.694 ( 0.000 26.573 9.037) 28.068 8.977 ( 0.000 9.085 -4.464) 10.122 9.208 ( 0.000 -4.244 -7.051) 8.230 9.487 ( 0.000 -8.647 8.997) 12.479 10.104 ( 0.000 6.796 -10.199) 12.256 10.483 ( 0.000 -14.122 -12.668) 18.971 10.971 ( 0.000 3.039 -7.142) 7.762 11.066 ( 0.000 -3.726 -14.516) 14.986 11.835 ( 0.000 31.131 -12.185) 33.431 13.138 ( 0.000 -28.783 -17.682) 33.781 13.414 ( 0.000 6.104 0.977) 6.182 13.817 ( 0.000 -6.330 4.956) 8.039 14.466 ( 0.000 -5.818 -16.098) 17.117 14.476 ( 0.000 2.797 -13.751) 14.033 15.374 ( 0.000 9.308 4.576) 10.372 15.721 ( 0.000 -8.049 -0.869) 8.096 16.053 ( 0.000 17.215 5.188) 17.980 16.286 ( 0.000 14.869 4.102) 15.425 16.950 ( 0.000 -20.076 -10.123) 22.484 17.126 ( 0.000 -20.223 -1.475) 20.277 19.036 ( 0.000 4.140 17.725) 18.202 19.504 ( 0.000 -13.242 4.725) 14.060 19.723 ( 0.000 -4.110 10.213) 11.009 19.927 ( 0.000 -10.755 6.501) 12.567 ======================= Grid point 106 (44/168) ======================= q-point: ( 0.20 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 1.947 15.083 1.343) 15.268 3.883 ( -0.683 17.541 1.066) 17.586 4.416 ( 0.105 -3.541 2.590) 4.388 4.477 ( 0.835 -10.314 5.194) 11.578 4.587 ( -1.134 3.465 2.348) 4.337 4.957 ( -3.787 19.540 10.937) 22.710 4.992 ( 14.946 -12.180 3.739) 19.640 6.043 ( -12.331 -22.386 0.655) 25.566 7.294 ( 6.473 18.793 -5.020) 20.500 7.863 ( 12.482 -3.524 -3.360) 13.398 8.009 ( -7.521 23.143 -6.440) 25.172 8.307 ( -0.363 17.572 -7.427) 19.080 8.700 ( 0.147 26.217 6.847) 27.097 8.876 ( -8.385 9.262 -4.339) 13.225 9.245 ( 2.477 -3.497 -4.522) 6.230 9.432 ( -4.561 -6.237 5.914) 9.730 10.201 ( 9.175 5.826 -8.685) 13.912 10.542 ( 5.769 -13.117 -12.221) 18.833 10.906 ( -7.119 2.224 -6.780) 10.079 11.002 ( -5.941 -4.513 -13.651) 15.556 11.942 ( 10.918 29.335 -12.351) 33.649 13.122 ( -14.753 -0.224 -7.546) 16.572 13.211 ( -2.888 -17.695 -13.030) 22.163 13.711 ( -9.879 -12.215 -1.362) 15.769 14.621 ( 15.160 0.001 -12.879) 19.892 14.662 ( 14.003 1.133 -7.043) 15.716 15.323 ( -5.220 8.245 3.861) 10.494 15.586 ( -11.836 -3.187 -0.614) 12.273 16.124 ( 5.334 13.178 4.410) 14.885 16.285 ( -0.205 14.104 4.245) 14.731 16.966 ( 1.589 -20.625 -9.037) 22.574 17.107 ( -1.815 -20.548 -2.106) 20.736 19.112 ( 7.544 3.546 16.329) 18.333 19.525 ( 1.851 -10.764 4.928) 11.982 19.692 ( -3.064 -5.865 10.597) 12.493 19.868 ( -5.605 -10.269 6.881) 13.572 ======================= Grid point 107 (45/168) ======================= q-point: ( 0.40 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( 2.926 15.871 1.182) 16.182 3.854 ( -2.299 16.724 1.253) 16.928 4.434 ( 1.625 -7.279 3.463) 8.223 4.469 ( -1.609 -10.292 5.770) 11.908 4.650 ( 7.042 12.899 4.185) 15.281 4.816 ( -8.930 17.551 9.329) 21.790 5.351 ( 19.925 -17.383 1.224) 26.470 5.733 ( -18.648 -20.023 -0.090) 27.362 7.501 ( 13.925 20.771 -4.017) 25.328 7.785 ( -14.086 22.678 -4.254) 27.033 8.124 ( 12.094 -3.716 -4.847) 13.549 8.285 ( -3.714 9.238 -6.771) 12.041 8.691 ( -0.654 24.833 2.075) 24.928 8.725 ( -5.349 15.716 -0.493) 16.608 9.289 ( 2.379 -3.017 -1.205) 4.026 9.348 ( -3.722 -3.529 1.337) 5.301 10.429 ( 13.570 4.393 -7.309) 16.027 10.688 ( 8.353 -10.309 -11.559) 17.597 10.699 ( -12.977 2.445 -7.086) 14.987 10.860 ( -8.430 -7.322 -11.643) 16.132 12.245 ( 19.702 23.884 -11.467) 33.017 12.679 ( -24.138 16.721 -8.539) 30.580 13.313 ( 8.097 -24.573 -14.345) 29.583 13.500 ( -10.833 -19.155 -9.345) 23.908 14.925 ( 13.658 2.412 -3.330) 14.263 14.959 ( 15.935 4.816 -6.873) 18.010 15.181 ( -8.481 4.289 2.627) 9.860 15.312 ( -15.648 -0.100 -1.732) 15.744 16.217 ( 3.872 11.714 4.240) 13.045 16.269 ( -1.609 12.563 4.372) 13.399 17.008 ( 2.567 -21.316 -6.561) 22.450 17.061 ( -2.757 -21.169 -3.947) 21.710 19.305 ( 11.446 1.776 13.072) 17.465 19.505 ( -6.978 -0.737 8.489) 11.013 19.656 ( 2.077 -12.855 9.024) 15.843 19.745 ( -6.082 -10.605 7.485) 14.334 ======================= Grid point 110 (46/168) ======================= q-point: ( 0.00 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.043 ( 0.000 -12.296 0.087) 12.296 4.043 ( 0.000 12.296 0.087) 12.296 4.288 ( 0.000 -7.502 8.216) 11.125 4.288 ( 0.000 7.502 8.216) 11.125 4.662 ( 0.000 -4.308 2.434) 4.948 4.662 ( 0.000 4.308 2.434) 4.948 5.580 ( 0.000 -30.356 4.752) 30.726 5.580 ( 0.000 30.356 4.752) 30.726 7.559 ( 0.000 -12.597 -5.425) 13.716 7.559 ( 0.000 12.597 -5.425) 13.716 8.453 ( 0.000 -7.471 -10.347) 12.762 8.453 ( 0.000 7.471 -10.347) 12.762 9.089 ( 0.000 -5.080 -7.630) 9.166 9.089 ( 0.000 5.080 -7.630) 9.166 9.191 ( 0.000 -19.474 10.813) 22.274 9.191 ( 0.000 19.474 10.813) 22.274 10.256 ( 0.000 -8.495 -10.927) 13.841 10.256 ( 0.000 8.495 -10.927) 13.841 11.016 ( 0.000 -1.707 -9.598) 9.749 11.016 ( 0.000 1.707 -9.598) 9.749 12.499 ( 0.000 -32.205 -15.971) 35.947 12.499 ( 0.000 32.205 -15.971) 35.947 13.596 ( 0.000 -11.410 4.708) 12.343 13.596 ( 0.000 11.410 4.708) 12.343 14.469 ( 0.000 -2.452 -14.968) 15.167 14.469 ( 0.000 2.452 -14.968) 15.167 15.552 ( 0.000 -8.220 1.735) 8.401 15.552 ( 0.000 8.220 1.735) 8.401 16.441 ( 0.000 -15.436 -5.110) 16.260 16.441 ( 0.000 15.436 -5.110) 16.260 16.731 ( 0.000 -13.917 3.186) 14.277 16.731 ( 0.000 13.917 3.186) 14.277 19.213 ( 0.000 -12.461 11.944) 17.261 19.213 ( 0.000 12.461 11.944) 17.261 19.754 ( 0.000 -5.552 7.572) 9.389 19.754 ( 0.000 5.552 7.572) 9.389 ======================= Grid point 112 (47/168) ======================= q-point: ( 0.20 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( 2.611 -12.151 0.562) 12.441 4.070 ( 2.611 12.151 0.562) 12.441 4.262 ( -2.413 -8.595 6.824) 11.237 4.262 ( -2.413 8.595 6.824) 11.237 4.752 ( 8.825 -10.167 3.132) 13.822 4.752 ( 8.825 10.167 3.132) 13.822 5.495 ( -8.596 -28.201 4.674) 29.850 5.495 ( -8.596 28.201 4.674) 29.850 7.651 ( 9.219 -14.891 -5.671) 18.410 7.651 ( 9.219 14.891 -5.671) 18.410 8.392 ( -6.768 -10.021 -8.981) 15.062 8.392 ( -6.768 10.021 -8.981) 15.062 9.070 ( -0.748 -8.086 -4.813) 9.440 9.070 ( -0.748 8.086 -4.813) 9.440 9.186 ( -1.013 -15.615 6.346) 16.886 9.186 ( -1.013 15.615 6.346) 16.886 10.334 ( 7.594 -7.622 -10.035) 14.713 10.334 ( 7.594 7.622 -10.035) 14.713 10.943 ( -7.197 -1.730 -9.208) 11.814 10.943 ( -7.197 1.730 -9.208) 11.814 12.569 ( 7.207 -30.658 -15.231) 34.983 12.569 ( 7.207 30.658 -15.231) 34.983 13.406 ( -16.061 -14.707 -1.393) 21.822 13.406 ( -16.061 14.707 -1.393) 21.822 14.653 ( 15.594 -2.206 -9.570) 18.429 14.653 ( 15.594 2.206 -9.570) 18.429 15.475 ( -7.589 -6.683 0.896) 10.152 15.475 ( -7.589 6.683 0.896) 10.152 16.475 ( 3.211 -14.649 -4.030) 15.528 16.475 ( 3.211 14.649 -4.030) 15.528 16.706 ( -2.521 -13.734 2.536) 14.192 16.706 ( -2.521 13.734 2.536) 14.192 19.269 ( 5.477 -11.163 11.471) 16.917 19.269 ( 5.477 11.163 11.471) 16.917 19.706 ( -4.851 -5.004 7.943) 10.567 19.706 ( -4.851 5.004 7.943) 10.567 ======================= Grid point 114 (48/168) ======================= q-point: ( 0.40 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( 3.630 -11.445 2.037) 12.178 4.133 ( 3.630 11.445 2.037) 12.178 4.203 ( -3.461 -10.179 4.313) 11.584 4.203 ( -3.461 10.179 4.313) 11.584 4.982 ( 14.168 -17.486 3.931) 22.846 4.982 ( 14.168 17.486 3.931) 22.846 5.267 ( -14.140 -23.442 4.392) 27.727 5.267 ( -14.140 23.442 4.392) 27.727 7.894 ( 14.919 -16.315 -6.148) 22.947 7.894 ( 14.919 16.315 -6.148) 22.947 8.186 ( -13.900 -14.505 -7.034) 21.286 8.186 ( -13.900 14.505 -7.034) 21.286 9.089 ( 2.495 -12.373 -1.990) 12.778 9.089 ( 2.495 12.373 -1.990) 12.778 9.146 ( -2.893 -13.440 1.529) 13.833 9.146 ( -2.893 13.440 1.530) 13.833 10.526 ( 11.550 -5.679 -8.846) 15.617 10.526 ( 11.550 5.679 -8.846) 15.617 10.756 ( -11.459 -3.328 -8.643) 14.734 10.756 ( -11.459 3.328 -8.643) 14.734 12.771 ( 13.309 -26.402 -12.789) 32.215 12.771 ( 13.309 26.402 -12.789) 32.215 13.072 ( -17.138 -20.582 -8.281) 28.034 13.072 ( -17.138 20.582 -8.281) 28.034 14.978 ( 16.582 -2.013 -4.258) 17.237 14.978 ( 16.582 2.013 -4.258) 17.237 15.270 ( -13.184 -3.836 -1.112) 13.775 15.270 ( -13.184 3.836 -1.112) 13.775 16.553 ( 4.510 -13.632 -1.684) 14.457 16.553 ( 4.510 13.632 -1.684) 14.457 16.639 ( -4.155 -13.437 0.753) 14.085 16.639 ( -4.155 13.437 0.753) 14.085 19.409 ( 8.496 -8.002 10.298) 15.564 19.409 ( 8.496 8.002 10.298) 15.564 19.576 ( -8.114 -5.167 8.955) 13.143 19.576 ( -8.114 5.167 8.955) 13.143 ======================= Grid point 150 (49/168) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 0.000 40.094) 40.094 1.917 ( 0.000 0.000 41.065) 41.065 2.783 ( 0.000 0.000 59.692) 59.692 3.207 ( 0.000 0.000 7.885) 7.885 3.826 ( 0.000 0.000 7.714) 7.714 3.911 ( 0.000 0.000 11.460) 11.460 4.234 ( 0.000 0.000 30.688) 30.688 4.559 ( 0.000 0.000 -3.371) 3.371 5.202 ( 0.000 0.000 -2.936) 2.936 6.307 ( 0.000 0.000 13.664) 13.664 6.923 ( 0.000 0.000 33.214) 33.214 7.213 ( 0.000 0.000 6.669) 6.669 7.648 ( 0.000 0.000 16.243) 16.243 7.716 ( 0.000 0.000 19.244) 19.244 7.760 ( 0.000 0.000 18.900) 18.900 8.881 ( 0.000 0.000 7.999) 7.999 9.629 ( 0.000 0.000 -12.815) 12.815 9.830 ( 0.000 0.000 -0.062) 0.062 10.644 ( 0.000 0.000 -13.106) 13.106 12.259 ( 0.000 0.000 -3.876) 3.876 12.895 ( 0.000 0.000 13.469) 13.469 13.073 ( 0.000 0.000 -11.731) 11.731 13.104 ( 0.000 0.000 -4.800) 4.800 13.266 ( 0.000 0.000 0.684) 0.684 13.782 ( 0.000 0.000 7.934) 7.934 14.234 ( 0.000 0.000 5.278) 5.278 15.040 ( 0.000 0.000 -5.974) 5.974 16.726 ( 0.000 0.000 -5.647) 5.647 16.768 ( 0.000 0.000 -9.473) 9.473 16.826 ( 0.000 0.000 -8.270) 8.270 17.200 ( 0.000 0.000 -37.269) 37.269 18.105 ( 0.000 0.000 -20.815) 20.815 19.764 ( 0.000 0.000 14.668) 14.668 20.105 ( 0.000 0.000 3.540) 3.540 21.450 ( 0.000 0.000 -7.146) 7.146 21.551 ( 0.000 0.000 -4.326) 4.326 ======================= Grid point 151 (50/168) ======================= q-point: ( 0.20 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 16.900 0.000 35.507) 39.324 2.021 ( 10.355 0.000 37.519) 38.922 3.013 ( -16.525 0.000 12.639) 20.804 3.128 ( 30.778 0.000 51.227) 59.762 3.489 ( -28.077 0.000 16.927) 32.785 3.975 ( 11.969 0.000 4.424) 12.761 4.519 ( -4.146 0.000 -2.932) 5.078 4.525 ( 14.851 0.000 25.253) 29.296 5.150 ( -5.553 0.000 3.169) 6.393 6.027 ( -25.259 0.000 18.618) 31.379 6.625 ( -16.442 0.000 29.212) 33.522 6.930 ( -19.163 0.000 26.788) 32.937 7.720 ( 0.433 0.000 19.215) 19.220 7.756 ( -0.405 0.000 18.937) 18.942 8.093 ( 33.705 0.000 6.232) 34.277 9.252 ( 20.435 0.000 -12.633) 24.025 9.619 ( -3.101 0.000 -10.025) 10.494 10.285 ( 45.591 0.000 -6.673) 46.076 10.570 ( -6.756 0.000 -11.376) 13.231 12.292 ( 3.420 0.000 -3.566) 4.941 12.738 ( -10.511 0.000 3.299) 11.016 12.835 ( -27.221 0.000 -11.769) 29.656 13.237 ( 11.168 0.000 -1.362) 11.250 13.289 ( 4.196 0.000 10.189) 11.019 13.741 ( -4.142 0.000 7.379) 8.462 14.011 ( -16.813 0.000 5.808) 17.788 15.365 ( 26.090 0.000 -7.257) 27.081 16.628 ( -10.109 0.000 -6.843) 12.208 16.774 ( 0.576 0.000 -9.345) 9.363 16.821 ( -0.530 0.000 -8.373) 8.390 17.276 ( 7.574 0.000 -34.564) 35.384 18.005 ( -9.937 0.000 -20.674) 22.938 19.744 ( -1.614 0.000 15.083) 15.169 19.978 ( -10.233 0.000 10.065) 14.353 21.447 ( 0.026 0.000 -6.603) 6.603 21.528 ( -1.882 0.000 -3.886) 4.317 ======================= Grid point 152 (51/168) ======================= q-point: ( 0.40 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 28.806 0.000 25.970) 38.785 2.294 ( 17.039 0.000 29.414) 33.992 2.654 ( -19.307 0.000 20.540) 28.190 2.868 ( -31.718 0.000 19.881) 37.434 3.888 ( 40.327 0.000 34.708) 53.206 4.209 ( 11.327 0.000 0.801) 11.355 4.400 ( -8.077 0.000 -1.582) 8.230 4.536 ( -19.954 0.000 19.673) 28.021 5.122 ( 8.980 0.000 22.813) 24.517 5.479 ( -26.351 0.000 27.295) 37.939 6.494 ( 2.942 0.000 27.086) 27.245 6.648 ( -11.269 0.000 27.891) 30.082 7.732 ( 0.687 0.000 19.136) 19.148 7.745 ( -0.669 0.000 19.030) 19.042 8.720 ( 29.459 0.000 -3.933) 29.721 9.203 ( -19.179 0.000 -11.787) 22.511 9.876 ( 23.720 0.000 -11.652) 26.427 10.301 ( -18.172 0.000 -14.520) 23.261 11.285 ( 49.061 0.000 -10.995) 50.277 12.155 ( -40.689 0.000 -11.011) 42.153 12.390 ( 6.579 0.000 -2.562) 7.060 12.544 ( -9.161 0.000 -0.602) 9.180 13.433 ( 10.525 0.000 10.638) 14.964 13.448 ( 10.254 0.000 3.082) 10.708 13.625 ( -7.714 0.000 5.759) 9.626 13.690 ( -15.497 0.000 8.418) 17.635 15.889 ( 26.102 0.000 -9.193) 27.673 16.338 ( -19.484 0.000 -8.828) 21.391 16.789 ( 0.907 0.000 -9.024) 9.069 16.807 ( -0.879 0.000 -8.653) 8.698 17.480 ( 12.919 0.000 -28.349) 31.154 17.755 ( -14.649 0.000 -22.584) 26.919 19.733 ( 1.225 0.000 15.684) 15.732 19.807 ( -6.462 0.000 14.962) 16.298 21.459 ( 1.221 0.000 -5.576) 5.708 21.490 ( -1.895 0.000 -4.466) 4.851 ======================= Grid point 155 (52/168) ======================= q-point: ( 0.00 0.07 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 -17.062 42.092) 45.419 1.795 ( 0.000 13.629 35.033) 37.591 3.280 ( 0.000 7.128 5.379) 8.930 3.571 ( 0.000 54.882 50.313) 74.454 3.820 ( 0.000 -6.387 11.110) 12.815 4.066 ( 0.000 20.823 8.242) 22.395 4.359 ( 0.000 10.581 26.269) 28.320 4.811 ( 0.000 21.833 -5.869) 22.608 5.344 ( 0.000 14.040 -0.112) 14.040 6.316 ( 0.000 0.728 13.807) 13.826 6.376 ( 0.000 -27.790 38.896) 47.803 7.159 ( 0.000 -4.225 11.976) 12.700 7.637 ( 0.000 3.105 23.846) 24.048 7.859 ( 0.000 8.971 10.312) 13.668 8.304 ( 0.000 28.596 -5.829) 29.184 8.980 ( 0.000 9.215 9.849) 13.488 9.593 ( 0.000 -5.358 -14.782) 15.723 9.809 ( 0.000 0.148 1.009) 1.020 10.646 ( 0.000 0.193 -14.942) 14.943 12.325 ( 0.000 3.778 -0.014) 3.778 12.635 ( 0.000 -20.449 6.569) 21.478 12.739 ( 0.000 -21.932 -9.085) 23.739 13.128 ( 0.000 2.170 -7.829) 8.125 13.506 ( 0.000 12.691 -2.558) 12.946 13.596 ( 0.000 -10.618 4.723) 11.621 14.227 ( 0.000 -0.246 5.690) 5.696 15.300 ( 0.000 17.876 -1.964) 17.984 16.686 ( 0.000 -9.250 -8.711) 12.706 16.758 ( 0.000 -5.208 -7.190) 8.878 16.765 ( 0.000 1.537 -6.228) 6.414 17.253 ( 0.000 4.545 -36.535) 36.817 18.091 ( 0.000 -1.594 -19.706) 19.770 19.802 ( 0.000 2.753 14.082) 14.349 20.091 ( 0.000 -1.350 3.552) 3.800 21.348 ( 0.000 -9.332 -5.661) 10.915 21.428 ( 0.000 -10.595 0.455) 10.605 ======================= Grid point 156 (53/168) ======================= q-point: ( 0.20 0.07 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 14.047 -7.780 34.688) 38.224 2.155 ( 26.697 9.541 30.247) 41.456 3.085 ( -18.686 6.526 11.444) 22.863 3.495 ( -22.299 4.991 14.206) 26.907 3.740 ( 15.730 44.320 43.793) 64.261 4.187 ( 10.443 18.883 6.124) 22.430 4.523 ( 7.540 5.140 15.991) 18.411 4.819 ( 1.416 22.039 4.067) 22.456 5.297 ( -4.866 14.386 4.104) 15.731 6.017 ( -18.985 -1.033 21.745) 28.885 6.460 ( -3.362 -9.811 27.597) 29.481 6.778 ( -20.207 -6.758 26.758) 34.205 7.844 ( 2.637 7.795 17.447) 19.290 8.051 ( 5.840 12.031 4.269) 14.038 8.178 ( 13.287 16.395 8.829) 22.875 9.252 ( 18.126 0.150 -10.607) 21.003 9.527 ( -5.989 -8.617 -10.118) 14.578 10.295 ( 41.536 1.065 -7.057) 42.145 10.554 ( -7.667 -1.453 -12.089) 14.389 12.355 ( 2.902 2.920 -0.495) 4.146 12.537 ( -10.655 -14.522 -0.491) 18.018 12.795 ( -1.447 -22.608 -7.415) 23.836 12.905 ( -12.740 -1.342 -3.215) 13.208 13.438 ( -6.854 -1.458 -3.219) 7.712 13.644 ( 4.610 4.095 8.524) 10.521 14.112 ( -9.351 4.534 7.575) 12.859 15.547 ( 21.366 13.280 -5.021) 25.653 16.648 ( -8.610 -2.191 -9.173) 12.770 16.694 ( -0.254 -7.485 -7.868) 10.862 16.766 ( -1.105 -3.114 -6.108) 6.944 17.337 ( 8.150 5.056 -33.830) 35.163 18.013 ( -7.887 0.166 -20.369) 21.843 19.786 ( -1.349 3.051 14.253) 14.638 19.983 ( -9.067 0.524 8.746) 12.609 21.344 ( -0.222 -9.469 -4.829) 10.631 21.407 ( -1.701 -10.707 -0.325) 10.846 ======================= Grid point 157 (54/168) ======================= q-point: ( 0.40 0.07 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 28.493 -3.729 24.187) 37.560 2.584 ( -17.423 0.263 18.125) 25.142 2.668 ( 11.200 14.970 22.451) 29.216 3.066 ( -20.980 12.934 15.733) 29.240 4.196 ( 27.073 27.385 26.773) 46.900 4.413 ( 12.850 19.172 8.667) 24.654 4.520 ( -6.571 10.284 0.165) 12.205 4.760 ( -14.240 20.886 20.571) 32.591 5.259 ( 6.401 13.556 18.290) 23.649 5.569 ( -23.685 9.341 25.613) 36.114 6.409 ( 3.031 -6.071 26.459) 27.316 6.539 ( -8.655 -7.824 27.259) 29.651 7.887 ( 2.494 12.488 16.420) 20.779 7.952 ( -4.585 17.574 15.015) 23.565 8.715 ( 27.860 -0.517 -4.461) 28.220 9.180 ( -19.131 -2.606 -11.607) 22.528 9.781 ( 24.716 -8.045 -11.828) 28.557 10.234 ( -20.203 -5.842 -15.423) 26.080 11.232 ( 46.303 -3.906 -8.371) 47.215 12.054 ( -37.088 -6.916 -8.724) 38.723 12.439 ( 5.195 -1.018 -0.392) 5.309 12.565 ( -8.439 -4.067 -1.836) 9.546 13.021 ( 11.334 -17.055 -1.395) 20.525 13.253 ( -11.596 -11.845 -2.882) 16.825 13.763 ( 7.449 10.386 10.620) 16.617 13.926 ( -9.249 9.265 10.126) 16.551 15.997 ( 22.942 7.495 -8.856) 25.709 16.393 ( -17.211 2.557 -10.033) 20.086 16.708 ( 1.224 -7.597 -7.384) 10.664 16.737 ( -1.659 -5.787 -6.653) 8.973 17.545 ( 12.674 5.284 -28.238) 31.399 17.802 ( -12.976 3.578 -23.035) 26.679 19.771 ( 0.466 3.046 14.642) 14.963 19.828 ( -5.698 2.012 13.885) 15.143 21.349 ( 0.831 -10.066 -3.494) 10.687 21.374 ( -1.602 -10.601 -2.051) 10.916 ======================= Grid point 160 (55/168) ======================= q-point: ( 0.00 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 23.995 12.437) 27.027 2.164 ( 0.000 20.795 24.914) 32.452 3.480 ( 0.000 11.464 -1.147) 11.521 3.716 ( 0.000 -2.552 8.384) 8.764 4.543 ( 0.000 21.607 8.166) 23.098 4.553 ( 0.000 16.757 22.652) 28.177 4.772 ( 0.000 47.310 41.935) 63.219 5.379 ( 0.000 31.785 -8.457) 32.891 5.738 ( 0.000 20.275 11.207) 23.166 6.112 ( 0.000 6.182 22.462) 23.297 6.316 ( 0.000 -1.951 12.862) 13.009 7.104 ( 0.000 0.973 18.605) 18.630 7.734 ( 0.000 6.044 21.081) 21.931 8.108 ( 0.000 14.754 -1.806) 14.864 8.705 ( 0.000 11.353 -14.555) 18.459 9.230 ( 0.000 13.988 13.183) 19.221 9.372 ( 0.000 -14.591 -14.630) 20.662 9.887 ( 0.000 6.643 -2.960) 7.273 10.650 ( 0.000 0.224 -20.285) 20.286 11.976 ( 0.000 -28.651 7.676) 29.661 12.233 ( 0.000 -26.749 -13.445) 29.938 12.603 ( 0.000 11.068 -9.752) 14.752 13.187 ( 0.000 3.368 -8.565) 9.203 13.505 ( 0.000 2.104 2.635) 3.372 13.708 ( 0.000 6.091 -9.428) 11.224 14.256 ( 0.000 3.865 8.268) 9.127 15.605 ( 0.000 10.717 2.177) 10.936 16.397 ( 0.000 -17.710 -6.519) 18.872 16.614 ( 0.000 -9.020 -3.445) 9.656 16.722 ( 0.000 -5.922 -4.542) 7.463 17.344 ( 0.000 3.015 -33.455) 33.591 18.031 ( 0.000 -4.414 -17.068) 17.629 19.835 ( 0.000 -0.284 15.089) 15.092 20.048 ( 0.000 -2.848 3.761) 4.718 21.094 ( 0.000 -14.468 -2.081) 14.617 21.170 ( 0.000 -13.502 5.193) 14.466 ======================= Grid point 161 (56/168) ======================= q-point: ( 0.20 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 16.401 23.055 10.655) 30.233 2.412 ( 21.428 14.844 20.932) 33.431 3.275 ( -19.330 11.946 5.385) 23.353 3.582 ( -11.605 5.016 5.999) 13.994 4.596 ( 4.207 20.910 7.015) 22.453 4.666 ( 8.193 11.612 16.965) 22.131 4.791 ( 5.227 42.614 37.090) 56.736 5.410 ( 1.982 34.407 2.129) 34.530 5.678 ( -5.080 18.925 10.960) 22.451 6.083 ( -2.224 13.095 16.620) 21.275 6.382 ( 3.331 -1.229 17.644) 17.997 6.717 ( -27.264 3.883 26.638) 38.314 8.001 ( 14.306 5.451 17.761) 23.448 8.221 ( 13.046 11.441 -5.043) 18.070 8.615 ( -7.756 18.694 -0.480) 20.245 9.244 ( 4.703 -7.778 -0.762) 9.121 9.317 ( -1.790 -3.121 -15.355) 15.771 10.331 ( 30.139 2.389 -9.529) 31.699 10.524 ( -6.771 -0.992 -13.509) 15.144 12.011 ( 2.865 -26.732 3.959) 27.175 12.223 ( -1.338 -26.518 -10.645) 28.606 12.544 ( -12.479 3.179 -10.522) 16.630 12.967 ( -9.609 7.521 -8.522) 14.884 13.470 ( -7.420 6.149 -4.848) 10.787 13.791 ( 7.847 6.485 1.608) 10.306 14.202 ( -4.880 5.410 8.756) 11.391 15.770 ( 14.700 6.802 -2.099) 16.333 16.419 ( 2.021 -15.648 -6.233) 16.964 16.524 ( -7.353 -10.763 -5.596) 14.185 16.708 ( -2.564 -4.510 -3.270) 6.132 17.434 ( 8.544 3.058 -31.072) 32.370 17.986 ( -4.643 -3.157 -18.244) 19.089 19.822 ( -0.980 -0.242 14.882) 14.916 19.994 ( -5.153 0.082 6.223) 8.080 21.087 ( -0.580 -14.559 -1.293) 14.628 21.136 ( -2.686 -14.440 4.674) 15.413 ======================= Grid point 162 (57/168) ======================= q-point: ( 0.40 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 26.255 17.583 8.499) 32.722 2.661 ( -15.176 7.734 7.800) 18.734 2.996 ( 9.440 17.728 15.369) 25.290 3.312 ( -16.017 11.079 9.717) 21.764 4.685 ( 4.778 15.963 4.322) 17.214 4.744 ( -0.154 10.661 5.471) 11.984 5.045 ( 18.271 36.577 29.736) 50.556 5.361 ( -10.336 34.565 18.588) 40.584 5.647 ( 5.489 22.104 13.669) 26.562 5.900 ( -17.638 22.719 20.361) 35.240 6.368 ( -1.652 5.190 22.468) 23.119 6.408 ( -3.587 -2.803 23.349) 23.789 8.188 ( 7.730 14.612 13.490) 21.336 8.333 ( -6.343 17.029 8.614) 20.110 8.708 ( 18.989 0.773 -6.121) 19.966 9.063 ( -15.541 -9.252 -10.434) 20.881 9.632 ( 23.735 -3.910 -13.805) 27.735 10.107 ( -23.310 -4.979 -17.734) 29.709 11.167 ( 41.968 -1.885 -5.807) 42.409 11.919 ( -29.203 -7.210 -5.531) 30.584 12.147 ( -2.755 -22.164 -3.019) 22.538 12.194 ( -4.607 -25.758 -9.742) 27.921 13.026 ( 10.545 11.877 -8.417) 17.975 13.263 ( -12.555 9.179 -7.381) 17.215 13.947 ( 7.715 7.854 7.968) 13.590 14.087 ( -6.681 7.433 9.317) 13.663 16.078 ( 15.276 -1.639 -8.299) 17.462 16.332 ( -10.804 -9.141 -9.961) 17.306 16.504 ( 5.046 -10.838 -2.654) 12.246 16.619 ( -6.044 -5.147 -2.489) 8.319 17.638 ( 11.575 2.444 -26.236) 28.780 17.849 ( -9.402 -0.069 -21.543) 23.505 19.819 ( 1.245 1.078 13.850) 13.948 19.883 ( -5.193 2.618 10.890) 12.345 21.079 ( -0.017 -15.138 0.705) 15.154 21.093 ( -1.513 -15.547 2.562) 15.829 ======================= Grid point 165 (58/168) ======================= q-point: ( 0.00 0.21 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 36.999 -7.599) 37.772 2.609 ( 0.000 21.401 14.592) 25.903 3.726 ( 0.000 12.167 -7.577) 14.334 3.753 ( 0.000 6.771 5.568) 8.766 4.789 ( 0.000 9.089 13.757) 16.488 4.866 ( 0.000 9.286 5.425) 10.754 5.545 ( 0.000 23.443 33.313) 40.735 6.007 ( 0.000 13.842 0.978) 13.876 6.251 ( 0.000 32.603 16.305) 36.453 6.257 ( 0.000 10.075 4.462) 11.019 6.585 ( 0.000 32.274 18.642) 37.271 7.252 ( 0.000 12.740 17.977) 22.034 7.889 ( 0.000 9.435 12.327) 15.523 8.451 ( 0.000 17.809 -7.559) 19.347 8.748 ( 0.000 -11.561 -9.656) 15.063 9.152 ( 0.000 0.658 -22.559) 22.569 9.516 ( 0.000 12.628 15.477) 19.975 10.054 ( 0.000 9.330 -7.137) 11.746 10.653 ( 0.000 -0.102 -27.227) 27.227 11.448 ( 0.000 -20.667 -0.238) 20.668 11.646 ( 0.000 -29.595 -18.652) 34.983 12.853 ( 0.000 12.126 -8.037) 14.548 13.273 ( 0.000 5.306 -8.937) 10.394 13.646 ( 0.000 10.357 -0.745) 10.384 13.738 ( 0.000 -3.234 -18.962) 19.236 14.397 ( 0.000 8.923 8.223) 12.134 15.755 ( 0.000 4.539 3.946) 6.014 15.986 ( 0.000 -21.208 -2.268) 21.329 16.394 ( 0.000 -11.613 2.684) 11.919 16.542 ( 0.000 -10.637 -2.207) 10.864 17.344 ( 0.000 -3.351 -28.454) 28.651 17.901 ( 0.000 -8.275 -13.969) 16.236 19.780 ( 0.000 -4.941 18.008) 18.673 19.974 ( 0.000 -4.241 4.432) 6.134 20.779 ( 0.000 -15.499 1.991) 15.626 20.886 ( 0.000 -13.839 6.379) 15.239 ======================= Grid point 166 (59/168) ======================= q-point: ( 0.20 0.21 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 10.601 33.724 -6.865) 36.011 2.741 ( 11.285 16.542 11.018) 22.856 3.579 ( -11.068 17.277 -0.649) 20.529 3.723 ( -5.357 9.065 2.984) 10.944 4.840 ( 4.168 7.364 10.882) 13.785 4.911 ( 3.580 9.368 5.816) 11.593 5.474 ( -2.630 21.251 24.927) 32.862 5.984 ( -3.953 4.236 7.835) 9.745 6.221 ( 0.676 38.535 14.696) 41.247 6.397 ( 8.146 14.330 12.591) 20.742 6.583 ( -0.221 30.862 16.493) 34.994 7.002 ( -19.222 20.961 17.895) 33.602 8.082 ( 14.556 3.817 11.668) 19.042 8.522 ( 6.515 15.920 -6.887) 18.529 8.747 ( -0.983 -12.293 -7.815) 14.600 9.110 ( -6.663 7.407 -10.787) 14.684 9.430 ( 2.113 9.244 -1.325) 9.575 10.394 ( 11.315 3.798 -15.154) 19.290 10.534 ( 4.566 2.419 -14.030) 14.951 11.494 ( 3.814 -21.652 -4.764) 22.495 11.639 ( -0.792 -29.091 -17.479) 33.948 12.606 ( -26.854 3.028 -9.572) 28.669 13.195 ( 0.984 13.118 -9.228) 16.069 13.620 ( -5.319 5.136 -11.317) 13.518 13.895 ( 12.254 5.555 -3.191) 13.827 14.360 ( -3.595 9.415 7.601) 12.623 15.789 ( 3.449 -6.788 -2.582) 8.040 16.099 ( 10.269 -12.385 1.467) 16.155 16.264 ( -10.099 -13.294 -0.986) 16.724 16.565 ( -0.274 -8.727 -0.422) 8.742 17.431 ( 8.171 -3.622 -26.331) 27.807 17.873 ( -2.926 -7.845 -14.968) 17.150 19.775 ( 0.147 -4.116 16.732) 17.232 19.968 ( -1.306 -2.705 5.949) 6.664 20.770 ( -0.903 -15.665 2.606) 15.906 20.835 ( -4.301 -14.457 6.799) 16.545 ======================= Grid point 167 (60/168) ======================= q-point: ( 0.40 0.21 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 15.599 24.751 -5.550) 29.779 2.874 ( -3.071 12.170 -0.613) 12.566 3.429 ( 0.315 23.716 7.560) 24.893 3.567 ( -9.729 14.744 7.575) 19.220 4.913 ( 3.143 7.671 6.247) 10.380 4.952 ( -0.188 8.603 4.813) 9.859 5.561 ( 11.360 12.167 18.966) 25.235 5.822 ( -12.607 3.900 14.792) 19.823 6.289 ( 6.529 38.213 17.045) 42.349 6.442 ( -5.985 30.153 21.992) 37.798 6.600 ( 3.007 23.210 11.702) 26.166 6.697 ( -9.084 25.003 15.895) 30.989 8.356 ( 13.049 -0.216 9.072) 15.894 8.565 ( -6.685 0.469 2.875) 7.292 8.774 ( 7.358 4.179 -8.253) 11.820 8.943 ( -8.869 7.136 -5.037) 12.448 9.661 ( 18.893 6.259 -15.586) 25.279 10.079 ( -22.314 2.827 -19.812) 29.974 11.161 ( 38.300 1.056 -6.400) 38.845 11.565 ( 2.838 -22.825 -10.732) 25.381 11.612 ( -1.887 -27.850 -14.262) 31.347 11.945 ( -37.745 -0.997 -10.801) 39.273 13.305 ( 8.347 13.157 -9.809) 18.412 13.477 ( -8.722 8.974 -10.902) 16.597 14.109 ( 9.459 8.758 2.986) 13.232 14.262 ( -6.421 9.742 5.882) 13.066 15.890 ( 7.019 -15.279 -5.932) 17.830 16.058 ( -10.025 -16.180 -3.903) 19.430 16.325 ( 11.204 -6.153 1.079) 12.828 16.500 ( -6.415 -6.622 0.044) 9.220 17.617 ( 9.850 -4.708 -22.031) 24.587 17.781 ( -6.688 -6.493 -17.859) 20.145 19.811 ( 3.782 -1.909 13.923) 14.553 19.905 ( -4.960 -0.766 9.681) 10.905 20.752 ( -0.569 -16.004 4.290) 16.579 20.764 ( -2.222 -15.775 6.265) 17.118 ======================= Grid point 170 (61/168) ======================= q-point: ( 0.00 0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 0.000 27.709 -8.860) 29.091 3.036 ( 0.000 20.161 5.435) 20.881 3.992 ( 0.000 13.897 -7.650) 15.864 3.996 ( 0.000 16.034 5.233) 16.866 4.929 ( 0.000 4.153 10.167) 10.983 4.960 ( 0.000 1.063 4.749) 4.867 5.781 ( 0.000 -18.952 11.160) 21.994 5.984 ( 0.000 21.789 10.981) 24.400 6.774 ( 0.000 15.128 18.543) 23.931 6.887 ( 0.000 33.998 -3.624) 34.190 7.303 ( 0.000 32.212 22.450) 39.263 7.553 ( 0.000 14.429 9.457) 17.252 8.158 ( 0.000 16.976 -1.330) 17.028 8.374 ( 0.000 -17.164 -6.580) 18.382 8.807 ( 0.000 15.378 -7.841) 17.262 9.349 ( 0.000 13.822 -23.574) 27.327 9.720 ( 0.000 6.674 14.738) 16.179 10.288 ( 0.000 14.007 -10.624) 17.580 10.639 ( 0.000 -1.640 -29.921) 29.966 11.042 ( 0.000 -27.538 -23.421) 36.151 11.148 ( 0.000 -8.500 -6.660) 10.798 13.085 ( 0.000 10.219 -4.739) 11.264 13.421 ( 0.000 9.149 -9.367) 13.094 13.576 ( 0.000 -12.510 -24.678) 27.668 13.883 ( 0.000 11.434 -5.880) 12.858 14.553 ( 0.000 3.700 -1.240) 3.903 15.578 ( 0.000 -15.986 5.976) 17.067 15.817 ( 0.000 1.738 3.405) 3.823 16.173 ( 0.000 -8.731 8.464) 12.161 16.324 ( 0.000 -9.293 0.054) 9.293 17.210 ( 0.000 -9.229 -22.835) 24.630 17.688 ( 0.000 -12.248 -10.847) 16.361 19.648 ( 0.000 -7.185 21.052) 22.245 19.877 ( 0.000 -5.001 5.509) 7.441 20.463 ( 0.000 -14.938 5.910) 16.065 20.601 ( 0.000 -13.671 6.815) 15.275 ======================= Grid point 171 (62/168) ======================= q-point: ( 0.20 0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 3.954 24.166 -8.495) 25.919 3.098 ( 4.767 18.403 2.749) 19.208 3.958 ( -2.831 17.083 -4.704) 17.944 3.987 ( -1.103 18.025 6.590) 19.224 4.916 ( 1.794 -0.157 9.570) 9.738 5.051 ( 5.059 4.846 5.919) 9.171 5.771 ( -1.003 -16.501 10.929) 19.818 5.870 ( -9.050 18.707 6.966) 21.918 6.788 ( 2.658 15.733 14.502) 21.561 6.990 ( 8.128 33.379 2.652) 34.456 7.258 ( -4.813 29.109 20.333) 35.832 7.469 ( -7.973 22.790 9.550) 25.965 8.216 ( 5.320 10.065 0.530) 11.397 8.378 ( 0.429 -15.249 -6.519) 16.590 8.862 ( 5.383 14.468 -7.495) 17.160 9.353 ( -4.007 12.342 -11.035) 17.034 9.648 ( 1.653 10.933 0.224) 11.060 10.487 ( -5.524 4.666 -20.081) 21.343 10.623 ( 19.208 5.863 -15.095) 25.123 11.038 ( 0.394 -26.657 -20.913) 33.884 11.164 ( 1.139 -10.754 -11.847) 16.041 12.689 ( -32.339 5.287 -9.264) 34.052 13.465 ( 2.554 12.189 -8.745) 15.217 13.569 ( -0.673 -9.654 -21.936) 23.976 14.090 ( 15.058 11.644 -3.468) 19.349 14.540 ( -1.530 6.187 -1.076) 6.463 15.521 ( -2.439 -13.965 3.116) 14.515 15.895 ( -1.317 -10.830 4.023) 11.628 16.077 ( 0.131 -2.657 4.437) 5.173 16.379 ( 1.929 -8.371 2.392) 8.917 17.289 ( 7.337 -9.734 -20.933) 24.223 17.664 ( -2.485 -12.244 -11.590) 17.041 19.666 ( 2.235 -5.989 19.272) 20.305 19.888 ( 0.371 -4.717 6.834) 8.313 20.452 ( -1.097 -14.963 6.272) 16.261 20.543 ( -5.178 -13.780 7.576) 16.556 ======================= Grid point 172 (63/168) ======================= q-point: ( 0.40 0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 5.223 18.048 -8.063) 20.445 3.156 ( 0.028 15.108 -3.332) 15.471 3.922 ( -0.066 22.267 3.142) 22.488 3.951 ( -2.312 22.224 7.906) 23.702 4.996 ( 5.689 -0.180 9.495) 11.070 5.088 ( -2.104 3.865 7.721) 8.886 5.732 ( -1.854 -1.261 7.524) 7.851 5.751 ( -2.713 2.175 3.779) 5.136 6.898 ( 8.775 18.878 11.805) 23.932 7.103 ( -10.773 22.161 13.324) 28.013 7.150 ( 7.928 32.783 9.695) 35.093 7.302 ( -8.087 31.391 12.082) 34.594 8.322 ( 4.627 0.545 -0.099) 4.660 8.377 ( -1.053 -8.586 -4.319) 9.668 9.001 ( 8.581 12.505 -3.412) 15.545 9.185 ( -10.183 11.702 0.952) 15.542 9.857 ( 16.393 11.447 -15.225) 25.131 10.204 ( -17.976 7.928 -19.813) 27.902 11.045 ( 6.785 -17.950 -14.116) 23.822 11.066 ( 2.393 -22.817 -18.966) 29.767 11.315 ( 26.104 4.501 -13.207) 29.599 11.990 ( -37.651 5.096 -11.363) 39.656 13.512 ( 2.234 5.651 -12.620) 14.007 13.549 ( -1.469 -3.067 -17.606) 17.932 14.344 ( 10.248 13.789 -0.483) 17.187 14.484 ( -4.595 11.333 -0.444) 12.237 15.545 ( 5.238 -15.946 0.907) 16.809 15.713 ( -11.245 -15.959 1.988) 19.624 16.225 ( 9.108 -3.524 2.874) 10.180 16.359 ( -4.144 -6.446 2.474) 8.052 17.451 ( 8.340 -10.971 -17.220) 22.055 17.588 ( -5.509 -11.961 -13.812) 19.083 19.746 ( 5.806 -4.028 15.273) 16.828 19.856 ( -4.225 -3.647 10.297) 11.713 20.430 ( -0.660 -14.983 7.249) 16.657 20.450 ( -3.184 -14.541 8.185) 16.987 ======================= Grid point 175 (64/168) ======================= q-point: ( 0.00 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 0.000 16.794 -5.851) 17.784 3.459 ( 0.000 21.083 0.197) 21.084 4.288 ( 0.000 13.768 -0.033) 13.768 4.353 ( 0.000 15.863 4.462) 16.478 4.945 ( 0.000 -3.168 7.151) 7.821 4.952 ( 0.000 -1.141 5.741) 5.853 5.374 ( 0.000 -17.815 12.436) 21.726 6.394 ( 0.000 12.974 1.942) 13.118 6.924 ( 0.000 2.015 9.874) 10.078 7.497 ( 0.000 21.051 -2.994) 21.263 7.673 ( 0.000 6.056 1.364) 6.208 7.821 ( 0.000 13.429 -1.054) 13.470 8.327 ( 0.000 15.480 0.699) 15.496 8.590 ( 0.000 22.077 -0.523) 22.083 9.032 ( 0.000 5.107 -8.546) 9.956 9.621 ( 0.000 11.214 -20.482) 23.351 9.781 ( 0.000 -0.921 10.440) 10.481 10.453 ( 0.000 -18.481 -23.781) 30.118 10.634 ( 0.000 16.999 -8.627) 19.063 10.690 ( 0.000 -2.982 -26.435) 26.602 11.093 ( 0.000 4.628 -17.117) 17.731 13.220 ( 0.000 -21.751 -25.784) 33.733 13.279 ( 0.000 8.713 0.019) 8.713 13.641 ( 0.000 11.452 -10.356) 15.440 14.078 ( 0.000 6.709 -12.149) 13.878 14.448 ( 0.000 -13.641 -10.315) 17.102 15.419 ( 0.000 0.316 11.224) 11.228 15.813 ( 0.000 -2.954 0.254) 2.965 16.073 ( 0.000 -0.260 9.928) 9.931 16.223 ( 0.000 1.072 3.368) 3.534 16.984 ( 0.000 -12.016 -16.889) 20.728 17.401 ( 0.000 -15.225 -7.566) 17.001 19.511 ( 0.000 -5.343 22.656) 23.277 19.773 ( 0.000 -5.024 6.735) 8.402 20.170 ( 0.000 -13.039 9.998) 16.431 20.327 ( 0.000 -12.598 7.727) 14.779 ======================= Grid point 176 (65/168) ======================= q-point: ( 0.20 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 0.760 17.168 -5.652) 18.090 3.485 ( 1.400 18.926 -0.952) 19.002 4.305 ( 1.695 16.223 2.936) 16.573 4.368 ( 1.253 15.821 3.514) 16.255 4.851 ( -1.263 -5.882 9.023) 10.845 5.111 ( 5.634 1.333 8.971) 10.677 5.399 ( 4.212 -17.645 8.813) 20.168 6.204 ( -16.175 9.111 -0.609) 18.574 6.974 ( 5.759 5.169 5.808) 9.676 7.563 ( -2.508 15.070 3.863) 15.758 7.683 ( 5.006 21.296 0.211) 21.877 7.842 ( 2.736 8.411 -2.663) 9.237 8.290 ( -2.150 12.586 -1.714) 12.883 8.556 ( -2.921 19.036 0.794) 19.275 9.084 ( 4.755 5.897 -7.757) 10.842 9.553 ( -7.790 6.114 -1.676) 10.044 9.841 ( 8.147 6.782 -8.072) 13.324 10.481 ( 1.428 -12.743 -24.086) 27.286 10.617 ( -5.408 -4.850 -21.238) 22.446 10.749 ( 6.505 3.455 -9.908) 12.347 11.150 ( 9.128 11.371 -18.617) 23.648 12.831 ( -33.013 8.516 -8.273) 35.083 13.252 ( 3.302 -20.264 -24.227) 31.757 13.660 ( -5.948 4.883 -9.531) 12.250 14.285 ( 18.833 5.688 -9.905) 22.026 14.562 ( 9.055 -2.708 -6.916) 11.711 15.366 ( -4.463 -0.481 9.379) 10.398 15.694 ( -11.474 -7.466 2.395) 13.898 16.101 ( 3.936 3.952 6.344) 8.447 16.263 ( 2.142 -1.540 4.139) 4.908 17.049 ( 5.958 -12.971 -15.293) 20.920 17.376 ( -2.622 -15.386 -8.099) 17.584 19.550 ( 4.059 -4.565 20.971) 21.843 19.787 ( 0.944 -4.790 7.851) 9.245 20.157 ( -1.181 -13.203 10.042) 16.630 20.271 ( -5.198 -12.342 8.468) 15.844 ======================= Grid point 177 (66/168) ======================= q-point: ( 0.40 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 2.508 16.513 -5.169) 17.484 3.485 ( -1.476 16.795 -3.194) 17.160 4.348 ( 2.429 18.150 5.562) 19.138 4.381 ( -0.488 17.308 4.159) 17.808 4.911 ( 7.161 -7.294 13.372) 16.832 5.077 ( -7.692 -4.302 16.130) 18.381 5.588 ( 13.634 -7.386 -0.965) 15.536 5.878 ( -16.109 1.974 -3.875) 16.686 7.148 ( 11.749 8.606 3.113) 14.893 7.394 ( -12.239 10.157 3.226) 16.228 7.783 ( 4.555 25.799 0.655) 26.206 7.862 ( -2.573 18.982 -1.262) 19.197 8.337 ( 7.041 6.867 -1.689) 9.979 8.476 ( -5.788 12.598 0.384) 13.869 9.203 ( 7.482 6.116 -3.178) 10.173 9.372 ( -9.655 5.766 2.466) 11.513 10.070 ( 14.167 7.879 -15.663) 22.542 10.347 ( -13.178 4.855 -20.354) 24.729 10.640 ( 5.960 -15.452 -18.285) 24.670 10.755 ( -4.603 -10.299 -14.321) 18.230 11.533 ( 28.207 15.393 -15.853) 35.832 12.158 ( -34.777 11.243 -12.552) 38.644 13.348 ( 6.464 -15.692 -21.500) 27.391 13.498 ( -8.826 -7.509 -16.456) 20.127 14.627 ( 13.094 11.873 -5.049) 18.383 14.709 ( 3.977 9.979 -4.024) 11.471 15.303 ( 0.128 -6.579 6.017) 8.917 15.438 ( -12.656 -10.157 3.403) 16.581 16.199 ( 5.039 1.588 4.499) 6.939 16.269 ( -1.763 -1.243 4.141) 4.669 17.181 ( 6.937 -14.690 -12.317) 20.387 17.300 ( -5.126 -15.494 -9.723) 18.996 19.663 ( 6.938 -3.470 16.745) 18.455 19.774 ( -3.286 -3.693 11.375) 12.402 20.136 ( -0.411 -13.390 10.008) 16.721 20.168 ( -4.052 -12.560 9.501) 16.261 ======================= Grid point 180 (67/168) ======================= q-point: ( 0.00 0.43 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( 0.000 15.560 -3.146) 15.875 3.901 ( 0.000 20.590 0.036) 20.590 4.470 ( 0.000 -7.026 0.902) 7.084 4.528 ( 0.000 8.672 8.237) 11.960 4.786 ( 0.000 -11.530 3.487) 12.046 4.867 ( 0.000 -7.483 5.991) 9.586 5.298 ( 0.000 14.331 15.171) 20.869 6.273 ( 0.000 -21.361 8.838) 23.117 7.086 ( 0.000 13.913 -8.323) 16.212 7.620 ( 0.000 -5.592 -6.546) 8.609 7.932 ( 0.000 19.121 -5.575) 19.917 8.177 ( 0.000 16.063 -5.702) 17.045 8.670 ( 0.000 12.673 -10.456) 16.429 8.996 ( 0.000 -7.633 -13.395) 15.417 9.032 ( 0.000 20.469 8.542) 22.179 9.682 ( 0.000 -8.662 8.262) 11.971 9.806 ( 0.000 7.197 -18.640) 19.981 10.130 ( 0.000 -11.627 -21.174) 24.156 10.697 ( 0.000 2.319 -19.850) 19.985 10.804 ( 0.000 0.429 -9.223) 9.233 11.454 ( 0.000 27.635 -23.248) 36.113 12.696 ( 0.000 -28.266 -24.670) 37.518 13.462 ( 0.000 9.564 3.539) 10.198 13.843 ( 0.000 5.036 -4.970) 7.076 14.123 ( 0.000 -12.979 -13.622) 18.815 14.150 ( 0.000 0.344 -16.977) 16.980 15.489 ( 0.000 4.684 6.128) 7.713 15.710 ( 0.000 -5.944 -0.232) 5.949 16.164 ( 0.000 8.393 5.321) 9.938 16.351 ( 0.000 8.849 1.991) 9.071 16.742 ( 0.000 -9.983 -9.248) 13.609 17.071 ( 0.000 -16.295 -3.888) 16.753 19.452 ( 0.000 0.011 21.381) 21.381 19.658 ( 0.000 -6.613 9.828) 11.846 19.963 ( 0.000 -5.683 12.528) 13.756 20.093 ( 0.000 -9.562 9.125) 13.217 ======================= Grid point 181 (68/168) ======================= q-point: ( 0.20 0.43 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( 1.813 16.482 -3.001) 16.851 3.896 ( -0.786 20.131 -0.272) 20.148 4.468 ( 0.392 -7.368 1.728) 7.578 4.611 ( 7.210 11.900 7.075) 15.609 4.670 ( -4.902 -11.473 6.498) 14.067 5.071 ( 14.440 -11.194 4.177) 18.743 5.255 ( -4.838 13.328 16.254) 21.569 6.104 ( -15.441 -17.033 6.062) 23.776 7.157 ( 7.689 13.567 -7.923) 17.491 7.746 ( 9.981 -8.855 -9.100) 16.151 7.872 ( -6.448 17.632 -5.843) 19.662 8.174 ( -0.238 14.623 -5.197) 15.521 8.615 ( -3.434 13.801 -11.354) 18.198 8.947 ( -4.148 15.731 6.343) 17.462 9.098 ( 5.265 -1.380 -7.830) 9.536 9.573 ( -8.209 -4.832 5.680) 11.091 9.942 ( 10.778 4.289 -16.364) 20.059 10.205 ( 7.334 -10.173 -20.018) 23.622 10.628 ( -6.932 2.456 -18.937) 20.315 10.758 ( -4.997 -1.884 -10.332) 11.631 11.577 ( 12.658 26.736 -21.341) 36.476 12.756 ( 6.172 -26.872 -24.018) 36.565 13.042 ( -30.038 11.837 -6.512) 32.937 13.599 ( -20.125 -10.542 -9.686) 24.698 14.358 ( 23.913 3.929 -11.097) 26.654 14.521 ( 20.573 -1.764 -6.110) 21.533 15.418 ( -7.000 3.716 4.930) 9.333 15.581 ( -11.907 -4.246 0.071) 12.641 16.218 ( 4.414 7.782 4.542) 10.033 16.356 ( 0.267 9.336 2.422) 9.649 16.777 ( 3.355 -12.396 -8.619) 15.466 17.042 ( -2.968 -16.520 -4.226) 17.309 19.500 ( 4.819 0.128 20.103) 20.673 19.685 ( 2.522 -5.588 10.097) 11.813 19.939 ( -2.383 -6.586 12.847) 14.631 20.045 ( -4.681 -9.141 9.735) 14.151 ======================= Grid point 182 (69/168) ======================= q-point: ( 0.40 0.43 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 3.299 18.020 -2.330) 18.467 3.860 ( -2.902 19.216 -1.213) 19.472 4.496 ( 2.557 -7.672 1.914) 8.310 4.564 ( -4.303 -6.547 2.217) 8.142 4.837 ( 13.350 8.365 14.671) 21.528 5.092 ( -11.543 10.289 16.906) 22.911 5.392 ( 17.960 -11.848 3.006) 21.725 5.756 ( -19.044 -13.071 2.978) 23.289 7.375 ( 13.994 14.244 -8.277) 21.616 7.657 ( -13.689 15.634 -8.548) 22.469 7.954 ( 9.589 -6.530 -11.480) 16.322 8.118 ( -6.513 3.239 -10.169) 12.503 8.647 ( 7.359 19.726 -1.713) 21.124 8.822 ( -8.669 19.801 6.007) 22.434 9.228 ( 7.932 -4.004 -4.160) 9.811 9.398 ( -9.316 -3.763 2.481) 10.349 10.181 ( 13.128 4.019 -17.225) 22.027 10.373 ( 4.793 -3.854 -19.749) 20.685 10.459 ( -5.623 -0.593 -14.361) 15.434 10.611 ( -9.728 -5.043 -12.472) 16.602 11.932 ( 23.239 22.540 -17.507) 36.805 12.451 ( -29.510 16.791 -13.029) 36.366 12.936 ( 12.194 -23.085 -20.942) 33.469 13.226 ( -17.462 -17.482 -16.476) 29.699 14.802 ( 19.817 5.911 -6.041) 21.544 14.875 ( 14.144 4.919 -3.027) 15.277 15.240 ( -9.907 -0.968 2.444) 10.250 15.300 ( -15.234 -3.564 0.370) 15.650 16.300 ( 3.580 8.208 3.685) 9.683 16.349 ( -1.329 9.198 3.065) 9.786 16.862 ( 5.114 -15.720 -7.011) 17.956 16.963 ( -4.943 -16.757 -5.302) 18.258 19.624 ( 7.188 0.124 16.817) 18.289 19.721 ( -0.837 -1.372 11.921) 12.029 19.890 ( -1.062 -9.712 12.982) 16.247 19.940 ( -5.103 -9.201 10.916) 15.161 ======================= Grid point 185 (70/168) ======================= q-point: ( 0.00 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( 0.000 -13.057 -0.341) 13.061 4.052 ( 0.000 13.057 -0.341) 13.061 4.436 ( 0.000 -13.962 4.719) 14.738 4.436 ( 0.000 13.962 4.719) 14.738 4.729 ( 0.000 -6.050 4.978) 7.834 4.729 ( 0.000 6.050 4.978) 7.834 5.753 ( 0.000 -25.927 12.031) 28.582 5.753 ( 0.000 25.927 12.031) 28.582 7.394 ( 0.000 -14.438 -10.440) 17.817 7.394 ( 0.000 14.438 -10.440) 17.817 8.281 ( 0.000 -8.863 -5.813) 10.599 8.281 ( 0.000 8.863 -5.813) 10.599 8.829 ( 0.000 -5.855 -16.371) 17.386 8.829 ( 0.000 5.855 -16.371) 17.386 9.421 ( 0.000 -16.340 9.471) 18.886 9.421 ( 0.000 16.340 9.471) 18.886 9.946 ( 0.000 -7.078 -18.763) 20.054 9.946 ( 0.000 7.078 -18.763) 20.054 10.762 ( 0.000 -3.331 -15.104) 15.467 10.762 ( 0.000 3.331 -15.104) 15.467 12.077 ( 0.000 -30.942 -23.164) 38.652 12.077 ( 0.000 30.942 -23.164) 38.652 13.693 ( 0.000 -12.685 4.045) 13.314 13.693 ( 0.000 12.685 4.045) 13.314 14.103 ( 0.000 -4.339 -19.434) 19.912 14.103 ( 0.000 4.339 -19.434) 19.912 15.592 ( 0.000 -5.299 1.997) 5.662 15.592 ( 0.000 5.299 1.997) 5.662 16.366 ( 0.000 -8.966 -2.077) 9.203 16.366 ( 0.000 8.966 -2.077) 9.203 16.757 ( 0.000 -12.418 -0.649) 12.435 16.757 ( 0.000 12.418 -0.649) 12.435 19.516 ( 0.000 -5.873 16.586) 17.595 19.516 ( 0.000 5.873 16.586) 17.595 19.950 ( 0.000 -3.803 10.901) 11.545 19.950 ( 0.000 3.803 10.901) 11.545 ======================= Grid point 187 (71/168) ======================= q-point: ( 0.20 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( 3.242 -13.281 -0.178) 13.672 4.085 ( 3.242 13.281 -0.178) 13.672 4.379 ( -4.779 -13.407 3.437) 14.642 4.379 ( -4.779 13.407 3.437) 14.642 4.845 ( 10.755 -10.700 6.564) 16.530 4.845 ( 10.755 10.700 6.564) 16.530 5.662 ( -9.159 -22.801 11.682) 27.207 5.662 ( -9.159 22.801 11.682) 27.207 7.476 ( 8.327 -15.701 -11.295) 21.058 7.476 ( 8.327 15.701 -11.295) 21.058 8.205 ( -8.014 -10.801 -9.216) 16.304 8.205 ( -8.014 10.801 -9.216) 16.304 8.875 ( 5.106 -11.509 -11.545) 17.083 8.875 ( 5.106 11.509 -11.545) 17.083 9.360 ( -5.935 -15.034 7.869) 17.977 9.360 ( -5.935 15.034 7.869) 17.977 10.046 ( 9.398 -5.974 -17.670) 20.887 10.046 ( 9.398 5.974 -17.670) 20.887 10.695 ( -6.698 -3.668 -14.964) 16.800 10.695 ( -6.698 3.668 -14.964) 16.800 12.169 ( 9.297 -29.300 -22.029) 37.818 12.169 ( 9.297 29.300 -22.029) 37.818 13.318 ( -25.661 -14.491 -7.536) 30.418 13.318 ( -25.661 14.491 -7.536) 30.418 14.456 ( 23.622 -4.527 -8.622) 25.550 14.456 ( 23.622 4.527 -8.622) 25.550 15.498 ( -9.269 -3.938 1.124) 10.133 15.498 ( -9.269 3.938 1.124) 10.133 16.415 ( 4.588 -8.842 -1.684) 10.103 16.415 ( 4.588 8.842 -1.684) 10.103 16.725 ( -3.221 -11.953 -0.656) 12.396 16.725 ( -3.221 11.953 -0.656) 12.396 19.560 ( 4.363 -5.385 15.996) 17.433 19.560 ( 4.363 5.385 15.996) 17.433 19.911 ( -3.916 -3.272 11.406) 12.495 19.911 ( -3.916 3.272 11.406) 12.495 ======================= Grid point 189 (72/168) ======================= q-point: ( 0.40 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.169 ( 5.121 -13.406 0.478) 14.359 4.169 ( 5.121 13.406 0.478) 14.359 4.275 ( -5.647 -13.255 1.744) 14.513 4.275 ( -5.647 13.255 1.744) 14.513 5.109 ( 15.666 -14.220 8.824) 22.924 5.109 ( 15.666 14.220 8.824) 22.924 5.418 ( -15.197 -17.658 10.590) 25.591 5.418 ( -15.197 17.658 10.590) 25.591 7.700 ( 14.042 -15.597 -12.829) 24.597 7.700 ( 14.042 15.597 -12.829) 24.597 7.983 ( -14.029 -13.476 -12.855) 23.317 7.983 ( -14.029 13.476 -12.855) 23.317 9.021 ( 9.350 -14.090 -3.271) 17.223 9.021 ( 9.350 14.090 -3.271) 17.223 9.208 ( -9.246 -13.952 3.464) 17.092 9.208 ( -9.246 13.952 3.464) 17.092 10.271 ( 12.833 -4.838 -15.926) 21.018 10.271 ( 12.833 4.838 -15.926) 21.018 10.514 ( -11.531 -4.244 -14.977) 19.372 10.514 ( -11.531 4.244 -14.977) 19.372 12.431 ( 17.472 -24.986 -18.918) 35.881 12.431 ( 17.472 24.986 -18.918) 35.881 12.833 ( -23.472 -19.489 -14.177) 33.641 12.833 ( -23.472 19.489 -14.177) 33.641 14.893 ( 20.798 -2.550 -3.796) 21.295 14.893 ( 20.798 2.550 -3.796) 21.295 15.250 ( -15.844 -1.734 -0.887) 15.963 15.250 ( -15.844 1.734 -0.887) 15.963 16.523 ( 6.116 -9.410 -1.109) 11.277 16.523 ( 6.116 9.410 -1.109) 11.277 16.638 ( -5.452 -10.735 -0.767) 12.065 16.638 ( -5.452 10.735 -0.767) 12.065 19.673 ( 6.803 -4.010 14.507) 16.517 19.673 ( 6.803 4.010 14.507) 16.517 19.806 ( -6.530 -2.801 12.759) 14.604 19.806 ( -6.530 2.801 12.759) 14.604 ======================= Grid point 225 (73/168) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.000 0.000 39.068) 39.068 2.657 ( 0.000 0.000 31.718) 31.718 3.384 ( 0.000 0.000 9.232) 9.232 3.864 ( 0.000 0.000 46.631) 46.631 3.966 ( 0.000 0.000 5.630) 5.630 4.089 ( 0.000 0.000 5.653) 5.653 4.476 ( 0.000 0.000 -4.735) 4.735 4.817 ( 0.000 0.000 19.107) 19.107 5.222 ( 0.000 0.000 9.837) 9.837 6.590 ( 0.000 0.000 13.423) 13.423 7.349 ( 0.000 0.000 5.898) 5.898 7.565 ( 0.000 0.000 29.154) 29.154 8.088 ( 0.000 0.000 26.218) 26.218 8.201 ( 0.000 0.000 28.243) 28.243 8.226 ( 0.000 0.000 26.589) 26.589 9.076 ( 0.000 0.000 11.107) 11.107 9.301 ( 0.000 0.000 -18.041) 18.041 9.885 ( 0.000 0.000 5.574) 5.574 10.460 ( 0.000 0.000 -4.834) 4.834 12.109 ( 0.000 0.000 -10.971) 10.971 12.744 ( 0.000 0.000 -22.262) 22.262 12.777 ( 0.000 0.000 -17.482) 17.482 13.242 ( 0.000 0.000 20.350) 20.350 13.355 ( 0.000 0.000 0.300) 0.300 14.002 ( 0.000 0.000 13.748) 13.748 14.447 ( 0.000 0.000 15.450) 15.450 14.826 ( 0.000 0.000 -15.979) 15.979 16.507 ( 0.000 0.000 -19.436) 19.436 16.529 ( 0.000 0.000 -14.113) 14.113 16.619 ( 0.000 0.000 -12.105) 12.105 16.642 ( 0.000 0.000 -12.332) 12.332 17.667 ( 0.000 0.000 -21.680) 21.680 19.973 ( 0.000 0.000 6.221) 6.221 20.137 ( 0.000 0.000 -0.593) 0.593 21.277 ( 0.000 0.000 -9.401) 9.401 21.443 ( 0.000 0.000 -6.304) 6.304 ======================= Grid point 226 (74/168) ======================= q-point: ( 0.20 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 9.728 0.000 36.733) 37.999 2.710 ( 5.350 0.000 29.931) 30.405 3.275 ( -9.643 0.000 12.742) 15.980 3.749 ( -25.670 0.000 10.282) 27.653 4.056 ( 7.707 0.000 3.148) 8.325 4.095 ( 21.546 0.000 41.860) 47.080 4.446 ( -3.161 0.000 -4.257) 5.302 5.110 ( 16.950 0.000 28.849) 33.460 5.203 ( 1.637 0.000 2.524) 3.008 6.402 ( -17.278 0.000 17.281) 24.437 7.123 ( -13.457 0.000 18.369) 22.771 7.461 ( -12.696 0.000 25.298) 28.305 8.203 ( 0.263 0.000 28.090) 28.091 8.224 ( -0.216 0.000 26.752) 26.753 8.318 ( 19.526 0.000 16.267) 25.414 9.095 ( 0.136 0.000 -6.054) 6.055 9.444 ( 11.514 0.000 -4.771) 12.463 10.128 ( 14.679 0.000 -6.985) 16.256 10.501 ( 12.716 0.000 2.891) 13.041 12.148 ( 4.006 0.000 -10.774) 11.494 12.523 ( -22.429 0.000 -17.929) 28.714 12.648 ( -10.456 0.000 -12.440) 16.251 13.377 ( 3.348 0.000 -1.617) 3.718 13.379 ( 11.247 0.000 15.265) 18.961 13.953 ( -4.969 0.000 13.519) 14.403 14.134 ( -20.248 0.000 4.795) 20.808 15.197 ( 25.811 0.000 -8.400) 27.143 16.451 ( -9.990 0.000 -10.014) 14.145 16.538 ( 0.924 0.000 -13.887) 13.918 16.611 ( -0.803 0.000 -12.268) 12.294 16.702 ( 9.926 0.000 -21.122) 23.338 17.576 ( -9.244 0.000 -20.847) 22.804 19.963 ( -0.723 0.000 6.753) 6.791 20.096 ( -3.753 0.000 2.246) 4.374 21.283 ( 0.833 0.000 -9.090) 9.128 21.420 ( -2.159 0.000 -6.533) 6.880 ======================= Grid point 227 (75/168) ======================= q-point: ( 0.40 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 18.361 0.000 28.436) 33.849 2.857 ( 9.445 0.000 25.218) 26.928 3.063 ( -11.362 0.000 19.000) 22.138 3.246 ( -24.721 0.000 17.880) 30.509 4.216 ( 8.114 0.000 -0.305) 8.120 4.356 ( -6.042 0.000 -2.799) 6.659 4.589 ( 25.992 0.000 32.444) 41.572 5.002 ( -15.055 0.000 22.921) 27.424 5.571 ( 21.737 0.000 20.307) 29.747 6.001 ( -22.516 0.000 22.679) 31.958 7.003 ( 2.488 0.000 21.869) 22.010 7.182 ( -13.818 0.000 23.632) 27.375 8.210 ( 0.401 0.000 27.684) 27.687 8.218 ( -0.372 0.000 27.173) 27.176 8.701 ( 18.253 0.000 3.047) 18.506 8.991 ( -10.867 0.000 -7.443) 13.171 9.745 ( 18.205 0.000 -2.211) 18.338 10.071 ( -13.410 0.000 -8.125) 15.679 11.142 ( 41.965 0.000 -3.472) 42.109 11.928 ( -37.138 0.000 -11.076) 38.755 12.262 ( 7.647 0.000 -10.343) 12.863 12.439 ( -10.347 0.000 -10.299) 14.599 13.509 ( 10.326 0.000 -2.597) 10.648 13.610 ( 11.706 0.000 13.039) 17.523 13.772 ( -16.516 0.000 -0.264) 16.518 13.815 ( -9.111 0.000 13.050) 15.916 15.699 ( 25.091 0.000 -8.942) 26.637 16.145 ( -20.226 0.000 -9.432) 22.317 16.562 ( 1.428 0.000 -13.335) 13.411 16.590 ( -1.354 0.000 -12.720) 12.791 16.983 ( 17.338 0.000 -20.272) 26.675 17.322 ( -16.300 0.000 -19.599) 25.491 19.964 ( 1.299 0.000 7.462) 7.574 20.016 ( -3.832 0.000 6.206) 7.293 21.314 ( 2.340 0.000 -8.346) 8.668 21.368 ( -2.974 0.000 -7.336) 7.916 ======================= Grid point 230 (76/168) ======================= q-point: ( 0.00 0.07 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 -20.978 37.549) 43.012 2.518 ( 0.000 6.464 35.643) 36.224 3.434 ( 0.000 4.604 9.417) 10.482 4.003 ( 0.000 -4.727 6.079) 7.701 4.244 ( 0.000 21.561 9.009) 23.368 4.449 ( 0.000 43.969 35.560) 56.549 4.677 ( 0.000 18.500 -7.149) 19.833 4.856 ( 0.000 4.560 17.355) 17.944 5.410 ( 0.000 18.162 10.346) 20.902 6.593 ( 0.000 -0.091 12.610) 12.610 7.174 ( 0.000 -25.912 38.732) 46.600 7.351 ( 0.000 0.694 6.842) 6.877 8.075 ( 0.000 1.436 18.508) 18.563 8.203 ( 0.000 -1.426 22.831) 22.876 8.482 ( 0.000 14.115 21.115) 25.398 9.191 ( 0.000 10.354 10.470) 14.725 9.248 ( 0.000 -5.815 -17.888) 18.810 9.866 ( 0.000 -1.008 5.245) 5.341 10.426 ( 0.000 -3.279 -6.240) 7.049 12.189 ( 0.000 7.115 -12.227) 14.146 12.387 ( 0.000 -22.912 -23.027) 32.484 12.870 ( 0.000 -32.889 14.335) 35.877 12.934 ( 0.000 5.018 -12.253) 13.240 13.392 ( 0.000 2.097 -8.667) 8.917 13.755 ( 0.000 -10.993 11.012) 15.560 14.459 ( 0.000 1.456 15.986) 16.052 15.237 ( 0.000 25.896 -4.874) 26.350 16.470 ( 0.000 -7.024 -12.512) 14.349 16.523 ( 0.000 1.141 -19.662) 19.695 16.570 ( 0.000 -3.191 -11.285) 11.727 16.697 ( 0.000 4.278 -14.218) 14.848 17.675 ( 0.000 0.513 -20.530) 20.536 20.007 ( 0.000 2.838 6.315) 6.923 20.128 ( 0.000 -0.903 -0.156) 0.916 21.207 ( 0.000 -6.433 -7.859) 10.156 21.378 ( 0.000 -6.075 -4.651) 7.652 ======================= Grid point 231 (77/168) ======================= q-point: ( 0.20 0.07 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 5.335 -13.469 35.120) 37.991 2.795 ( 19.094 3.798 31.659) 37.166 3.342 ( -9.842 5.114 13.391) 17.388 3.739 ( -21.314 -0.353 10.544) 23.782 4.264 ( 3.753 20.468 5.829) 21.611 4.570 ( 9.338 33.578 26.105) 43.545 4.585 ( -1.488 15.665 1.696) 15.827 5.196 ( 22.436 8.955 20.437) 31.642 5.378 ( -3.256 17.592 8.399) 19.764 6.415 ( -15.338 0.970 16.869) 22.820 7.041 ( -10.270 -8.235 25.177) 28.411 7.292 ( -7.461 -9.723 24.767) 27.634 8.159 ( 7.292 -1.209 13.175) 15.107 8.285 ( 5.415 4.247 20.547) 21.668 8.505 ( 4.172 12.064 21.985) 25.422 9.103 ( -3.779 0.387 -7.532) 8.436 9.376 ( 8.984 -5.685 -1.544) 10.743 10.100 ( 9.966 -2.646 -9.338) 13.911 10.484 ( 15.519 -1.509 2.917) 15.863 12.217 ( 1.641 4.976 -12.444) 13.502 12.296 ( -9.905 -16.433 -20.095) 27.784 12.717 ( -15.494 -3.498 -7.044) 17.376 12.937 ( 3.089 -27.200 8.979) 28.810 13.322 ( -5.563 -8.403 -8.186) 12.984 13.825 ( 5.643 0.256 10.142) 11.609 14.330 ( -10.519 7.108 13.022) 18.186 15.437 ( 17.261 17.813 -5.910) 25.498 16.418 ( -8.551 -4.818 -12.597) 15.969 16.492 ( 0.869 -4.018 -11.870) 12.561 16.608 ( -0.390 0.286 -9.851) 9.863 16.763 ( 9.830 5.222 -21.755) 24.438 17.594 ( -8.331 1.375 -20.233) 21.924 19.997 ( -0.801 2.876 6.687) 7.324 20.092 ( -3.228 -0.363 2.372) 4.022 21.214 ( 0.769 -6.468 -7.534) 9.960 21.351 ( -2.469 -6.414 -4.791) 8.379 ======================= Grid point 232 (78/168) ======================= q-point: ( 0.40 0.07 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 19.469 -8.724 27.372) 34.704 2.984 ( -18.703 -3.426 19.804) 27.454 3.156 ( 10.243 11.122 25.052) 29.261 3.393 ( -13.309 9.132 16.902) 23.371 4.370 ( 6.357 15.522 1.307) 16.824 4.489 ( -5.546 12.589 -2.358) 13.957 4.890 ( 18.564 26.142 25.947) 41.246 5.208 ( -12.559 19.367 20.015) 30.552 5.646 ( 21.530 8.179 19.319) 30.060 6.059 ( -20.703 6.012 21.357) 30.346 6.938 ( 2.087 -5.195 23.884) 24.532 7.091 ( -11.331 -7.129 25.577) 28.868 8.269 ( 3.778 4.831 19.733) 20.664 8.319 ( -1.295 8.572 20.569) 22.322 8.711 ( 14.614 1.037 6.348) 15.967 8.969 ( -10.687 -2.179 -6.642) 12.770 9.649 ( 17.879 -8.302 -2.118) 19.826 9.986 ( -14.796 -7.541 -8.916) 18.849 11.114 ( 39.490 -2.334 -3.290) 39.696 11.841 ( -32.912 -6.526 -11.794) 35.566 12.321 ( 5.843 1.242 -11.246) 12.734 12.462 ( -9.303 -3.370 -9.619) 13.799 13.039 ( 7.130 -26.851 3.154) 27.960 13.192 ( -7.810 -20.248 -3.621) 22.002 13.953 ( 7.608 9.738 9.160) 15.383 14.124 ( -9.983 10.960 9.844) 17.795 15.809 ( 19.731 7.998 -9.189) 23.189 16.168 ( -16.445 0.406 -11.344) 19.983 16.527 ( 2.317 -3.317 -10.388) 11.148 16.573 ( -2.343 -1.244 -9.496) 9.860 17.039 ( 16.766 4.932 -21.352) 27.592 17.361 ( -15.212 3.358 -20.047) 25.388 19.991 ( 0.574 2.302 7.238) 7.617 20.026 ( -2.965 0.884 6.101) 6.840 21.242 ( 2.198 -6.698 -6.686) 9.716 21.295 ( -3.059 -6.801 -5.569) 9.307 ======================= Grid point 235 (79/168) ======================= q-point: ( 0.00 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.000 -3.180 29.879) 30.048 2.706 ( 0.000 10.961 27.580) 29.678 3.544 ( 0.000 5.759 7.299) 9.298 3.908 ( 0.000 -2.929 9.708) 10.140 4.693 ( 0.000 17.833 5.657) 18.709 4.930 ( 0.000 7.226 15.715) 17.296 5.241 ( 0.000 35.352 -4.213) 35.602 5.473 ( 0.000 45.596 20.973) 50.188 5.942 ( 0.000 31.084 12.490) 33.500 6.555 ( 0.000 -4.718 9.912) 10.978 6.752 ( 0.000 -10.525 38.446) 39.861 7.415 ( 0.000 6.209 10.654) 12.332 8.118 ( 0.000 2.176 13.636) 13.808 8.210 ( 0.000 3.156 12.665) 13.052 8.675 ( 0.000 5.578 12.410) 13.606 9.027 ( 0.000 -15.752 -17.583) 23.607 9.466 ( 0.000 15.374 8.673) 17.651 9.877 ( 0.000 2.177 2.535) 3.341 10.322 ( 0.000 -6.799 -10.513) 12.520 11.833 ( 0.000 -30.143 -24.889) 39.090 12.039 ( 0.000 -35.445 -5.941) 35.939 12.450 ( 0.000 9.795 -1.712) 9.944 13.007 ( 0.000 2.370 -9.277) 9.575 13.392 ( 0.000 -2.398 -19.769) 19.914 13.652 ( 0.000 0.066 11.732) 11.732 14.514 ( 0.000 3.643 14.939) 15.377 15.667 ( 0.000 14.745 3.375) 15.127 16.243 ( 0.000 -13.799 -8.709) 16.318 16.500 ( 0.000 -4.070 -7.725) 8.732 16.519 ( 0.000 -2.519 -16.145) 16.340 16.785 ( 0.000 3.892 -19.098) 19.491 17.671 ( 0.000 -1.383 -17.834) 17.887 20.063 ( 0.000 1.921 7.583) 7.823 20.099 ( 0.000 -1.827 1.135) 2.151 21.030 ( 0.000 -10.242 -4.103) 11.034 21.205 ( 0.000 -10.292 -1.319) 10.376 ======================= Grid point 236 (80/168) ======================= q-point: ( 0.20 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 11.754 0.268 26.943) 29.396 2.883 ( 14.231 5.088 24.483) 28.772 3.450 ( -10.275 5.714 11.393) 16.371 3.766 ( -11.096 3.595 11.533) 16.403 4.711 ( 1.889 18.386 4.918) 19.126 4.861 ( -4.382 12.838 3.064) 13.907 5.334 ( 6.976 31.174 16.330) 35.877 5.639 ( 15.323 35.205 13.082) 40.562 5.890 ( -5.372 29.527 13.451) 32.888 6.439 ( -6.915 3.059 14.779) 16.601 6.860 ( 4.309 -6.646 30.446) 31.460 7.205 ( -16.290 2.145 19.603) 25.578 8.192 ( 7.769 4.440 3.478) 9.601 8.359 ( 10.835 2.805 14.307) 18.164 8.706 ( 2.305 7.035 12.590) 14.605 8.988 ( -3.989 -14.119 -13.676) 20.057 9.365 ( -2.310 7.666 9.237) 12.224 10.027 ( -1.224 -4.095 -15.080) 15.674 10.448 ( 21.866 -1.738 1.968) 22.023 11.826 ( -1.096 -27.925 -23.706) 36.647 12.026 ( -1.316 -34.274 -8.293) 35.288 12.416 ( -9.747 0.410 -1.886) 9.936 12.808 ( -9.444 4.083 -6.466) 12.151 13.276 ( -8.187 1.978 -14.824) 17.050 13.854 ( 13.418 1.795 7.059) 15.268 14.442 ( -6.796 4.690 13.159) 15.535 15.740 ( 6.959 9.215 -1.161) 11.606 16.250 ( -1.858 -9.663 -10.242) 14.203 16.381 ( -3.130 -7.110 -7.994) 11.147 16.597 ( 0.099 -2.136 -7.474) 7.774 16.882 ( 10.757 5.408 -22.456) 25.480 17.611 ( -6.239 -0.360 -18.211) 19.254 20.049 ( -1.114 0.972 7.526) 7.670 20.086 ( -1.415 0.222 2.915) 3.248 21.034 ( 0.553 -10.371 -3.754) 11.043 21.170 ( -3.119 -10.656 -1.151) 11.162 ======================= Grid point 237 (81/168) ======================= q-point: ( 0.40 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 22.062 1.883 21.181) 30.641 2.924 ( -17.579 -1.910 16.788) 24.382 3.357 ( 8.805 10.410 19.452) 23.754 3.566 ( -10.218 8.551 15.247) 20.248 4.753 ( 2.199 17.437 2.865) 17.807 4.797 ( -2.452 14.677 0.624) 14.894 5.512 ( 11.347 29.218 17.333) 35.818 5.734 ( -10.341 27.824 13.998) 32.818 5.971 ( 17.320 24.697 17.223) 34.736 6.273 ( -12.280 15.369 15.761) 25.208 6.869 ( 0.033 0.782 26.374) 26.386 6.954 ( -8.323 -4.160 26.651) 28.228 8.386 ( 10.108 5.606 0.992) 11.601 8.495 ( 0.847 7.079 7.288) 10.195 8.752 ( 3.931 3.148 12.561) 13.533 8.875 ( -7.232 -8.069 -1.783) 10.981 9.489 ( 14.042 -4.153 -0.866) 14.669 9.810 ( -16.514 -7.694 -11.005) 21.284 11.063 ( 35.873 -2.293 -4.172) 36.188 11.683 ( -21.159 -10.762 -17.255) 29.347 11.998 ( -0.850 -32.170 -10.689) 33.910 12.067 ( -12.570 -25.764 -4.666) 29.044 12.866 ( 10.129 8.107 -7.116) 14.797 13.086 ( -11.285 5.482 -10.763) 16.530 14.088 ( 10.743 4.498 7.454) 13.827 14.281 ( -9.265 5.498 9.703) 14.499 15.910 ( 10.019 -0.120 -8.026) 12.838 16.110 ( -10.007 -5.729 -11.242) 16.104 16.433 ( 5.613 -5.268 -4.378) 8.856 16.542 ( -4.868 -2.159 -5.055) 7.343 17.152 ( 15.318 4.855 -21.310) 26.690 17.429 ( -12.344 2.293 -19.375) 23.088 20.035 ( -0.014 1.109 7.477) 7.559 20.052 ( -1.651 1.752 5.877) 6.351 21.056 ( 1.783 -10.814 -2.756) 11.301 21.105 ( -3.201 -11.087 -1.578) 11.647 ======================= Grid point 240 (82/168) ======================= q-point: ( 0.00 0.21 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.000 19.401 5.166) 20.077 2.939 ( 0.000 11.095 17.323) 20.572 3.682 ( 0.000 8.127 3.457) 8.832 3.936 ( 0.000 6.481 11.896) 13.547 4.952 ( 0.000 7.868 2.756) 8.336 5.074 ( 0.000 5.965 13.658) 14.903 6.023 ( 0.000 35.483 2.606) 35.579 6.100 ( 0.000 9.724 18.563) 20.956 6.381 ( 0.000 -9.645 5.234) 10.974 6.537 ( 0.000 30.040 9.330) 31.456 7.047 ( 0.000 36.694 29.103) 46.834 7.587 ( 0.000 8.912 13.489) 16.167 8.150 ( 0.000 0.845 8.251) 8.294 8.370 ( 0.000 12.561 0.556) 12.573 8.607 ( 0.000 -21.600 -10.841) 24.168 8.791 ( 0.000 4.904 -0.475) 4.927 9.795 ( 0.000 15.648 8.369) 17.745 9.948 ( 0.000 4.975 -2.505) 5.570 10.152 ( 0.000 -9.280 -17.838) 20.108 11.167 ( 0.000 -33.489 -27.619) 43.409 11.356 ( 0.000 -27.858 -9.306) 29.371 12.721 ( 0.000 14.295 -5.029) 15.153 13.030 ( 0.000 -0.789 -16.651) 16.669 13.315 ( 0.000 -3.738 -19.534) 19.888 13.720 ( 0.000 5.472 7.967) 9.666 14.578 ( 0.000 1.403 8.484) 8.599 15.866 ( 0.000 5.369 6.827) 8.686 15.943 ( 0.000 -14.117 -2.191) 14.286 16.398 ( 0.000 -5.638 -2.251) 6.070 16.409 ( 0.000 -7.523 -10.909) 13.251 16.839 ( 0.000 0.774 -20.148) 20.163 17.605 ( 0.000 -5.137 -14.682) 15.555 20.052 ( 0.000 -2.693 3.114) 4.117 20.070 ( 0.000 -1.388 10.654) 10.744 20.803 ( 0.000 -11.323 0.252) 11.326 20.968 ( 0.000 -12.239 1.572) 12.339 ======================= Grid point 241 (83/168) ======================= q-point: ( 0.20 0.21 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 11.341 17.257 5.096) 21.270 3.004 ( 3.983 6.765 14.540) 16.523 3.618 ( -4.678 11.168 5.983) 13.505 3.904 ( -3.283 10.042 12.919) 16.689 4.975 ( 2.151 7.895 3.431) 8.873 5.080 ( -0.425 8.374 9.190) 12.440 5.861 ( -5.424 14.846 13.569) 20.831 6.159 ( 1.583 9.533 10.392) 14.191 6.522 ( 2.103 31.867 8.850) 33.140 6.605 ( 12.238 7.558 5.983) 15.578 7.012 ( -3.526 29.925 28.020) 41.147 7.382 ( -15.351 13.422 17.635) 26.959 8.293 ( 8.463 1.998 3.767) 9.476 8.446 ( 9.320 8.587 1.016) 12.714 8.599 ( -0.987 -21.154 -11.716) 24.202 8.844 ( 4.339 7.529 1.600) 8.836 9.596 ( -9.357 12.217 11.722) 19.345 9.960 ( -7.849 -1.335 -21.666) 23.082 10.421 ( 26.434 -0.545 -1.232) 26.468 11.182 ( 1.523 -32.908 -26.435) 42.238 11.338 ( -1.710 -28.960 -11.371) 31.160 12.436 ( -28.652 0.935 -7.727) 29.691 12.989 ( 1.856 11.348 -11.183) 16.040 13.286 ( -2.937 -2.464 -19.148) 19.528 13.928 ( 15.052 5.912 5.966) 17.237 14.522 ( -5.497 2.433 7.475) 9.592 15.768 ( -3.004 -6.189 0.260) 6.884 16.113 ( 8.302 -2.281 -0.841) 8.651 16.194 ( -9.040 -10.597 -5.041) 14.813 16.515 ( 1.460 -5.422 -4.119) 6.964 16.953 ( 10.940 0.935 -20.115) 22.917 17.562 ( -4.496 -4.536 -15.176) 16.465 20.029 ( -0.776 -2.056 7.501) 7.816 20.090 ( 0.472 -0.798 6.757) 6.821 20.804 ( 0.146 -11.559 0.626) 11.577 20.928 ( -3.612 -12.401 2.141) 13.093 ======================= Grid point 242 (84/168) ======================= q-point: ( 0.40 0.21 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 17.070 11.226 5.345) 21.118 2.940 ( -11.891 4.101 7.641) 14.717 3.629 ( 6.920 16.148 12.117) 21.341 3.796 ( -7.988 14.233 14.021) 21.516 5.015 ( 1.692 8.523 4.082) 9.600 5.048 ( -2.019 9.906 4.762) 11.175 5.910 ( 9.214 6.595 14.952) 18.760 6.108 ( -7.947 5.271 13.221) 16.302 6.589 ( 6.301 29.571 9.282) 31.627 6.723 ( -3.955 25.797 4.370) 26.461 6.984 ( 4.241 15.504 26.386) 30.896 7.130 ( -9.859 20.228 23.470) 32.515 8.427 ( 6.290 -3.375 -5.544) 9.038 8.530 ( -3.768 -11.026 -10.436) 15.642 8.707 ( 12.179 3.137 5.465) 13.713 8.874 ( -3.430 8.627 4.631) 10.375 9.540 ( 4.742 7.821 3.924) 9.952 9.738 ( -13.113 1.712 -11.967) 17.835 11.027 ( 33.497 -1.129 -7.630) 34.374 11.222 ( 2.251 -30.411 -23.285) 38.367 11.301 ( -0.814 -31.721 -14.242) 34.781 11.771 ( -36.981 -4.436 -6.567) 37.820 13.082 ( 6.309 9.857 -12.465) 17.098 13.202 ( -5.594 3.195 -16.110) 17.350 14.190 ( 11.473 6.362 5.713) 14.309 14.382 ( -8.602 4.692 6.020) 11.500 15.791 ( 5.326 -9.922 -4.007) 11.953 15.954 ( -10.667 -9.524 -6.236) 15.601 16.333 ( 9.354 -4.062 -0.244) 10.201 16.476 ( -5.033 -4.117 -2.290) 6.894 17.202 ( 13.182 -0.462 -18.362) 22.608 17.427 ( -9.478 -2.764 -16.537) 19.259 20.037 ( 1.535 -0.757 8.183) 8.360 20.075 ( -1.823 0.030 7.072) 7.303 20.814 ( 1.149 -12.168 1.619) 12.329 20.856 ( -3.209 -12.595 2.489) 13.233 ======================= Grid point 245 (85/168) ======================= q-point: ( 0.00 0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 0.000 25.105 -12.153) 27.892 3.173 ( 0.000 12.343 7.991) 14.704 3.912 ( 0.000 14.749 -0.125) 14.749 4.174 ( 0.000 15.551 11.911) 19.588 5.049 ( 0.000 2.309 3.939) 4.566 5.144 ( 0.000 0.405 11.130) 11.137 5.981 ( 0.000 -19.282 7.960) 20.860 6.235 ( 0.000 8.378 12.402) 14.966 6.846 ( 0.000 34.405 -0.401) 34.407 7.110 ( 0.000 20.151 11.769) 23.336 7.707 ( 0.000 13.575 13.398) 19.073 7.730 ( 0.000 4.385 6.978) 8.242 8.165 ( 0.000 -3.342 -2.408) 4.119 8.253 ( 0.000 3.958 -0.514) 3.991 8.678 ( 0.000 14.757 -4.355) 15.386 8.954 ( 0.000 10.689 -9.210) 14.110 9.942 ( 0.000 -8.271 -10.526) 13.387 10.094 ( 0.000 9.875 -5.494) 11.301 10.125 ( 0.000 13.549 -5.027) 14.451 10.497 ( 0.000 -29.322 -28.874) 41.152 10.909 ( 0.000 -16.015 -15.898) 22.566 12.920 ( 0.000 -10.388 -32.327) 33.955 13.018 ( 0.000 14.270 -2.681) 14.519 13.305 ( 0.000 3.461 -8.315) 9.006 13.832 ( 0.000 4.357 1.079) 4.488 14.524 ( 0.000 -7.448 -1.780) 7.658 15.706 ( 0.000 -7.898 5.661) 9.717 15.911 ( 0.000 -1.011 5.515) 5.607 16.262 ( 0.000 -4.907 -5.621) 7.462 16.286 ( 0.000 -4.632 2.932) 5.481 16.806 ( 0.000 -3.893 -16.395) 16.851 17.457 ( 0.000 -9.141 -11.557) 14.735 19.990 ( 0.000 -3.241 5.397) 6.295 20.011 ( 0.000 -3.980 14.503) 15.040 20.571 ( 0.000 -10.957 4.381) 11.801 20.711 ( 0.000 -12.407 3.641) 12.931 ======================= Grid point 246 (86/168) ======================= q-point: ( 0.20 0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 5.495 22.163 -10.728) 25.229 3.183 ( -0.531 11.060 5.610) 12.413 3.919 ( 1.960 17.889 1.415) 18.052 4.180 ( -0.039 15.964 11.937) 19.933 5.073 ( 2.893 2.264 5.685) 6.769 5.198 ( 3.849 2.837 8.646) 9.880 5.949 ( -4.219 -9.532 6.543) 12.307 6.106 ( -7.678 -0.088 14.071) 16.029 6.972 ( 6.491 18.748 3.631) 20.170 7.131 ( 5.291 27.172 8.417) 28.934 7.560 ( -11.236 14.867 7.282) 20.007 7.708 ( -3.889 11.984 12.239) 17.565 8.224 ( 2.742 -9.857 -6.644) 12.200 8.295 ( 4.057 3.930 5.254) 7.714 8.701 ( 5.031 13.584 -7.643) 16.378 9.058 ( 7.481 12.889 -7.722) 16.785 9.775 ( -8.895 2.453 0.364) 9.235 10.008 ( -6.085 6.378 -15.769) 18.065 10.454 ( 21.521 2.029 -7.862) 23.002 10.540 ( 6.285 -24.035 -23.358) 34.100 10.869 ( -3.842 -16.485 -17.091) 24.054 12.474 ( -33.711 2.891 -13.614) 36.471 13.091 ( 2.795 -7.699 -21.229) 22.754 13.289 ( -2.287 8.483 -9.783) 13.149 14.069 ( 17.760 6.144 1.278) 18.836 14.519 ( -0.516 -2.600 -0.840) 2.781 15.608 ( -5.740 -6.655 4.658) 9.946 15.944 ( -6.728 -11.933 -0.242) 13.701 16.132 ( 2.476 2.224 1.996) 3.881 16.397 ( 2.629 -5.377 -0.292) 5.992 16.915 ( 9.952 -4.454 -15.480) 18.934 17.422 ( -3.605 -8.896 -11.866) 15.263 19.976 ( 0.200 -2.927 9.853) 10.280 20.046 ( 1.715 -3.249 9.706) 10.378 20.566 ( -0.385 -11.219 4.692) 12.166 20.670 ( -3.744 -12.362 4.502) 13.678 ======================= Grid point 247 (87/168) ======================= q-point: ( 0.40 0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 9.295 16.277 -6.866) 19.962 3.103 ( -7.648 11.464 -0.894) 13.810 4.016 ( 7.252 20.541 6.403) 22.705 4.142 ( -4.477 18.173 10.550) 21.485 5.150 ( 4.533 5.219 5.817) 9.035 5.226 ( -2.009 7.215 6.022) 9.610 5.893 ( 1.746 -4.882 9.696) 10.995 5.992 ( -5.999 -12.117 14.660) 19.943 7.062 ( 6.413 14.351 4.269) 16.288 7.223 ( -5.680 20.466 2.000) 21.334 7.423 ( 4.741 20.384 12.240) 24.245 7.587 ( -8.258 17.723 12.888) 23.418 8.274 ( 2.812 -5.894 -5.238) 8.372 8.321 ( -1.383 -2.333 -0.112) 2.714 8.901 ( 13.271 11.583 -6.702) 18.847 9.106 ( -5.048 12.748 -6.548) 15.195 9.709 ( 3.411 5.798 -1.370) 6.865 9.853 ( -9.104 7.212 -9.256) 14.851 10.622 ( 6.314 -24.171 -23.123) 34.041 10.749 ( -5.847 -20.278 -17.008) 27.105 11.053 ( 33.041 3.799 -10.538) 34.888 11.759 ( -38.121 2.870 -11.292) 39.862 13.150 ( 3.531 -6.544 -20.509) 21.816 13.225 ( -3.912 1.216 -15.481) 16.014 14.364 ( 11.052 9.756 2.355) 14.929 14.492 ( -3.017 6.469 1.390) 7.272 15.571 ( 2.912 -10.262 1.086) 10.722 15.722 ( -11.587 -12.278 -1.510) 16.949 16.272 ( 7.777 -1.617 1.955) 8.180 16.386 ( -3.491 -4.042 0.477) 5.362 17.130 ( 11.001 -6.260 -13.986) 18.863 17.314 ( -7.611 -7.987 -12.752) 16.863 20.007 ( 2.596 -2.049 9.956) 10.491 20.052 ( -1.312 -2.128 8.975) 9.316 20.564 ( 0.420 -11.876 5.456) 13.076 20.596 ( -3.075 -12.338 5.715) 13.941 ======================= Grid point 250 (88/168) ======================= q-point: ( 0.00 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 0.000 19.981 -13.981) 24.386 3.476 ( 0.000 17.130 1.350) 17.183 4.278 ( 0.000 18.937 -2.931) 19.163 4.496 ( 0.000 12.182 9.172) 15.249 5.074 ( 0.000 0.346 6.270) 6.280 5.085 ( 0.000 -6.230 8.953) 10.908 5.586 ( 0.000 -15.435 7.606) 17.208 6.457 ( 0.000 11.087 3.678) 11.681 7.149 ( 0.000 -15.517 6.583) 16.856 7.454 ( 0.000 19.989 -0.938) 20.011 7.715 ( 0.000 2.793 6.203) 6.803 7.782 ( 0.000 3.988 -3.880) 5.564 8.220 ( 0.000 9.345 -8.556) 12.670 8.684 ( 0.000 24.718 5.871) 25.406 8.864 ( 0.000 0.810 -7.237) 7.282 9.196 ( 0.000 11.291 -18.403) 21.590 9.797 ( 0.000 -4.580 -16.131) 16.769 9.934 ( 0.000 -18.434 -25.641) 31.580 10.307 ( 0.000 4.458 -3.814) 5.867 10.535 ( 0.000 25.126 -5.690) 25.762 10.651 ( 0.000 -9.469 -19.511) 21.687 12.622 ( 0.000 -17.887 -31.301) 36.051 13.301 ( 0.000 12.870 1.046) 12.913 13.431 ( 0.000 7.817 -9.949) 12.653 13.872 ( 0.000 -0.621 -7.465) 7.491 14.285 ( 0.000 -14.346 -6.277) 15.659 15.611 ( 0.000 -2.129 6.962) 7.280 15.827 ( 0.000 -6.151 0.365) 6.162 16.228 ( 0.000 -0.543 5.713) 5.739 16.256 ( 0.000 4.065 0.752) 4.134 16.696 ( 0.000 -6.158 -11.202) 12.783 17.236 ( 0.000 -11.958 -8.447) 14.641 19.922 ( 0.000 -4.130 17.418) 17.901 19.924 ( 0.000 -2.995 7.699) 8.261 20.358 ( 0.000 -9.353 8.153) 12.408 20.465 ( 0.000 -11.065 5.443) 12.331 ======================= Grid point 251 (89/168) ======================= q-point: ( 0.20 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 2.345 19.704 -12.555) 23.481 3.469 ( -1.471 16.603 -0.385) 16.672 4.321 ( 4.275 19.027 -1.955) 19.599 4.494 ( -0.292 11.374 8.079) 13.954 5.064 ( 3.787 -3.918 12.071) 13.244 5.225 ( 8.571 1.163 4.587) 9.791 5.603 ( 1.702 -16.261 8.534) 18.443 6.258 ( -18.241 8.619 5.267) 20.851 7.075 ( -0.615 -6.557 2.668) 7.105 7.611 ( -1.954 -3.400 -4.937) 6.305 7.695 ( 5.755 24.067 5.613) 25.374 7.774 ( -0.946 0.358 -3.997) 4.123 8.198 ( 1.165 5.327 -5.061) 7.440 8.646 ( -4.006 23.015 4.656) 23.821 8.916 ( 6.268 4.960 -7.247) 10.789 9.320 ( 9.196 11.120 -13.547) 19.793 9.726 ( -5.876 -4.130 -14.509) 16.189 9.961 ( 1.956 -13.987 -25.295) 28.971 10.263 ( -2.146 3.097 -5.958) 7.049 10.602 ( -4.822 -8.178 -15.629) 18.287 10.746 ( 19.246 19.095 -9.787) 28.824 12.517 ( -19.922 -2.123 -25.199) 32.193 12.880 ( -11.886 -7.663 -8.588) 16.546 13.438 ( -13.139 2.835 -11.925) 17.969 14.135 ( 23.594 0.888 -4.678) 24.070 14.461 ( 13.080 -2.086 -3.721) 13.758 15.520 ( -7.781 -2.387 5.185) 9.650 15.721 ( -10.795 -9.014 -0.042) 14.064 16.209 ( 1.999 5.140 4.364) 7.033 16.321 ( 2.512 -1.192 2.135) 3.506 16.786 ( 8.080 -7.444 -10.264) 15.035 17.204 ( -3.251 -11.888 -8.502) 14.973 19.916 ( 1.176 -2.667 12.957) 13.281 19.970 ( 2.591 -3.625 11.445) 12.281 20.348 ( -0.938 -9.641 8.311) 12.763 20.427 ( -3.612 -10.911 6.374) 13.143 ======================= Grid point 252 (90/168) ======================= q-point: ( 0.40 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 5.453 18.563 -9.155) 21.404 3.400 ( -5.376 17.011 -4.650) 18.436 4.417 ( 4.614 15.915 1.516) 16.640 4.478 ( -1.703 11.902 5.375) 13.170 5.210 ( 9.994 -0.925 14.438) 17.584 5.336 ( 0.196 4.255 7.325) 8.473 5.662 ( 5.614 -13.637 7.971) 16.764 5.881 ( -17.297 0.796 5.098) 18.050 7.167 ( 9.511 -1.581 -1.392) 9.741 7.408 ( -13.777 -0.545 -2.044) 13.938 7.757 ( 1.092 7.150 -4.259) 8.394 7.781 ( -0.413 7.808 -6.018) 9.866 8.336 ( 10.730 10.424 1.833) 15.072 8.528 ( -8.169 18.640 3.284) 20.615 9.107 ( 12.508 6.683 -6.046) 15.417 9.342 ( -9.143 8.496 -6.064) 13.876 9.735 ( 8.696 -1.104 -17.231) 19.333 9.917 ( -7.338 -1.508 -19.273) 20.677 10.307 ( 6.917 -6.798 -11.705) 15.200 10.469 ( -8.426 -8.692 -14.938) 19.228 11.238 ( 30.649 14.815 -10.998) 35.774 11.897 ( -35.898 10.563 -12.952) 39.598 12.916 ( 8.813 -15.117 -19.432) 26.149 13.148 ( -14.471 -8.802 -17.107) 24.073 14.549 ( 16.094 7.868 -2.740) 18.122 14.661 ( 4.782 9.158 -1.359) 10.420 15.388 ( -3.278 -7.548 1.931) 8.453 15.477 ( -11.582 -10.607 0.168) 15.706 16.279 ( 3.964 2.544 3.578) 5.915 16.333 ( -1.244 -0.427 2.590) 2.905 16.959 ( 8.830 -9.855 -9.279) 16.161 17.110 ( -6.446 -11.391 -8.747) 15.742 19.962 ( 3.020 -1.911 11.916) 12.441 20.000 ( -0.146 -2.487 10.914) 11.195 20.331 ( -0.381 -10.422 8.646) 13.547 20.354 ( -2.965 -10.893 8.196) 13.951 ======================= Grid point 255 (91/168) ======================= q-point: ( 0.00 0.43 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 0.000 19.504 -9.982) 21.910 3.868 ( 0.000 19.640 -3.511) 19.951 4.500 ( 0.000 -12.072 1.635) 12.182 4.586 ( 0.000 6.720 -8.133) 10.550 4.907 ( 0.000 -8.033 14.015) 16.154 5.028 ( 0.000 -4.461 9.784) 10.753 5.571 ( 0.000 14.827 10.889) 18.396 6.470 ( 0.000 -16.391 7.422) 17.993 6.934 ( 0.000 4.452 -6.399) 7.796 7.459 ( 0.000 -11.658 -9.067) 14.769 7.893 ( 0.000 14.254 2.916) 14.549 8.087 ( 0.000 17.678 -4.142) 18.157 8.426 ( 0.000 7.274 -12.031) 14.059 8.703 ( 0.000 -14.212 -13.768) 19.787 9.156 ( 0.000 20.923 1.441) 20.972 9.391 ( 0.000 7.623 -19.907) 21.316 9.664 ( 0.000 -8.477 -22.283) 23.841 9.729 ( 0.000 -4.409 -7.213) 8.454 10.354 ( 0.000 0.602 -12.220) 12.235 10.480 ( 0.000 -6.566 -26.456) 27.258 11.116 ( 0.000 28.814 -4.102) 29.105 12.198 ( 0.000 -22.791 -22.450) 31.991 13.541 ( 0.000 10.255 3.796) 10.935 13.596 ( 0.000 7.442 -15.025) 16.767 13.822 ( 0.000 -3.630 -14.901) 15.337 13.988 ( 0.000 -13.301 -2.880) 13.610 15.592 ( 0.000 0.070 3.234) 3.235 15.701 ( 0.000 -5.352 -1.075) 5.458 16.263 ( 0.000 3.546 4.488) 5.719 16.376 ( 0.000 4.857 0.896) 4.939 16.592 ( 0.000 -1.595 -5.418) 5.648 16.975 ( 0.000 -12.898 -5.261) 13.930 19.856 ( 0.000 -2.014 17.817) 17.931 19.872 ( 0.000 -2.015 10.574) 10.764 20.202 ( 0.000 -5.145 10.573) 11.758 20.268 ( 0.000 -7.684 7.464) 10.713 ======================= Grid point 256 (92/168) ======================= q-point: ( 0.20 0.43 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( 2.862 20.162 -9.219) 22.353 3.856 ( -1.646 19.975 -3.815) 20.403 4.492 ( -0.362 -11.712 0.188) 11.719 4.584 ( -0.865 0.993 -7.135) 7.256 4.959 ( 7.786 -1.734 18.195) 19.867 5.180 ( 12.873 -6.044 7.278) 15.975 5.552 ( -2.562 12.701 11.868) 17.570 6.269 ( -18.137 -10.609 8.318) 22.598 6.994 ( 6.309 4.437 -7.707) 10.904 7.512 ( 3.710 -10.595 -12.607) 16.880 7.764 ( -10.231 6.695 -5.800) 13.533 8.087 ( -8.330 7.533 -5.086) 12.328 8.384 ( 7.559 12.832 -8.658) 17.226 8.881 ( 12.818 -6.743 -7.356) 16.244 9.099 ( -5.965 20.268 2.347) 21.257 9.503 ( 9.132 6.891 -16.466) 20.050 9.642 ( -5.996 -4.976 -9.120) 11.995 9.766 ( 8.179 -5.310 -22.499) 24.522 10.295 ( -5.632 -0.052 -12.769) 13.956 10.436 ( -4.689 -7.117 -23.157) 24.676 11.253 ( 13.846 26.746 -6.423) 30.795 12.261 ( 5.992 -19.814 -22.694) 30.717 12.915 ( -33.484 8.335 -5.659) 34.966 13.359 ( -25.930 -9.315 -12.559) 30.280 14.191 ( 29.132 5.170 -5.778) 30.146 14.412 ( 23.983 -3.422 -4.975) 24.732 15.491 ( -9.771 -0.432 1.561) 9.904 15.579 ( -11.578 -4.971 -0.712) 12.620 16.304 ( 3.427 3.996 3.919) 6.563 16.391 ( 1.084 6.788 1.459) 7.027 16.636 ( 4.257 -5.783 -5.108) 8.812 16.945 ( -3.106 -12.858 -5.050) 14.159 19.876 ( 2.391 -1.038 15.296) 15.516 19.908 ( 3.048 -2.258 12.178) 12.755 20.184 ( -1.776 -5.663 10.808) 12.330 20.232 ( -3.392 -7.479 8.191) 11.598 ======================= Grid point 257 (93/168) ======================= q-point: ( 0.40 0.43 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 5.038 20.888 -7.348) 22.709 3.794 ( -4.598 20.708 -5.217) 21.844 4.503 ( 1.674 -10.199 -1.362) 10.424 4.548 ( -2.512 -6.392 -3.431) 7.677 5.195 ( 14.510 3.548 18.787) 24.002 5.441 ( -9.157 6.616 15.742) 19.376 5.481 ( 17.504 -4.035 5.912) 18.911 5.866 ( -21.477 -4.989 7.731) 23.365 7.177 ( 12.318 5.601 -10.650) 17.220 7.442 ( -13.092 6.139 -11.905) 18.730 7.687 ( 5.677 -9.731 -14.335) 18.232 7.862 ( -11.412 -3.776 -14.422) 18.774 8.650 ( 15.716 17.568 1.412) 23.614 8.925 ( -11.899 18.670 2.716) 22.305 9.142 ( 13.866 -3.181 -3.713) 14.703 9.406 ( -12.761 -2.220 -2.685) 13.228 9.775 ( 12.523 5.106 -20.921) 24.912 9.916 ( 2.392 2.125 -23.229) 23.448 10.189 ( -1.441 -6.135 -12.803) 14.271 10.301 ( -8.616 -8.287 -18.229) 21.799 11.635 ( 24.923 21.976 -9.564) 34.577 12.173 ( -26.783 14.582 -13.961) 33.539 12.559 ( 9.283 -18.193 -14.016) 24.771 12.890 ( -21.646 -15.193 -15.325) 30.565 14.700 ( 22.018 6.768 -4.479) 23.466 14.814 ( 14.684 4.398 -3.348) 15.690 15.251 ( -12.341 -5.009 -1.449) 13.397 15.308 ( -14.383 -5.878 -0.406) 15.543 16.367 ( 2.677 5.464 3.092) 6.825 16.399 ( -0.528 7.255 2.258) 7.617 16.742 ( 6.198 -10.674 -4.629) 13.182 16.859 ( -5.519 -12.452 -4.668) 14.398 19.941 ( 3.544 0.063 13.278) 13.743 19.964 ( 1.744 -0.730 12.037) 12.185 20.144 ( -1.756 -7.321 11.288) 13.568 20.157 ( -3.361 -7.781 9.933) 13.057 ======================= Grid point 260 (94/168) ======================= q-point: ( 0.00 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( 0.000 -16.324 -6.174) 17.453 3.991 ( 0.000 16.324 -6.174) 17.453 4.415 ( 0.000 -14.336 -6.102) 15.580 4.415 ( 0.000 14.336 -6.102) 15.580 4.927 ( 0.000 -5.372 14.208) 15.190 4.927 ( 0.000 5.372 14.208) 15.190 6.006 ( 0.000 -24.035 10.780) 26.342 6.006 ( 0.000 24.035 10.780) 26.342 7.169 ( 0.000 -14.547 -11.015) 18.247 7.169 ( 0.000 14.547 -11.015) 18.247 8.225 ( 0.000 -11.959 0.051) 11.959 8.225 ( 0.000 11.959 0.051) 11.959 8.470 ( 0.000 -0.537 -17.490) 17.498 8.470 ( 0.000 0.537 -17.490) 17.498 9.523 ( 0.000 -7.707 -11.215) 13.608 9.523 ( 0.000 7.707 -11.215) 13.608 9.539 ( 0.000 -12.930 -9.264) 15.906 9.539 ( 0.000 12.930 -9.264) 15.906 10.381 ( 0.000 -2.878 -23.366) 23.543 10.381 ( 0.000 2.878 -23.366) 23.543 11.690 ( 0.000 -26.305 -11.900) 28.871 11.690 ( 0.000 26.305 -11.900) 28.871 13.710 ( 0.000 -0.081 -12.466) 12.467 13.710 ( 0.000 0.081 -12.466) 12.467 13.765 ( 0.000 -4.992 -2.895) 5.770 13.765 ( 0.000 4.992 -2.895) 5.770 15.618 ( 0.000 -2.604 0.110) 2.606 15.618 ( 0.000 2.604 0.110) 2.607 16.354 ( 0.000 -4.577 0.728) 4.634 16.354 ( 0.000 4.577 0.728) 4.634 16.719 ( 0.000 -11.237 -2.555) 11.524 16.719 ( 0.000 11.237 -2.555) 11.524 19.843 ( 0.000 -0.606 14.884) 14.896 19.843 ( 0.000 0.606 14.884) 14.896 20.166 ( 0.000 -1.766 9.766) 9.924 20.166 ( 0.000 1.766 9.766) 9.924 ======================= Grid point 262 (95/168) ======================= q-point: ( 0.20 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( 3.775 -16.338 -5.722) 17.718 4.029 ( 3.775 16.338 -5.722) 17.718 4.362 ( -4.866 -14.201 -5.023) 15.830 4.362 ( -4.866 14.201 -5.023) 15.830 5.050 ( 11.755 -6.647 13.598) 19.164 5.050 ( 11.755 6.647 13.598) 19.164 5.919 ( -8.954 -19.765 11.827) 24.712 5.919 ( -8.954 19.765 11.827) 24.712 7.222 ( 5.759 -14.773 -12.906) 20.444 7.222 ( 5.759 14.773 -12.906) 20.444 7.997 ( -16.275 -11.797 -11.678) 23.247 7.997 ( -16.275 11.797 -11.678) 23.247 8.679 ( 14.786 -12.840 -6.327) 20.579 8.679 ( 14.786 12.840 -6.327) 20.579 9.457 ( -7.245 -12.952 1.085) 14.880 9.457 ( -7.245 12.952 1.085) 14.880 9.647 ( 10.784 -6.102 -20.726) 24.148 9.647 ( 10.784 6.102 -20.726) 24.148 10.322 ( -6.066 -3.519 -22.327) 23.402 10.322 ( -6.066 3.519 -22.327) 23.402 11.792 ( 10.496 -24.818 -12.384) 29.655 11.792 ( 10.496 24.818 -12.384) 29.655 13.130 ( -31.050 -11.556 -9.877) 34.572 13.130 ( -31.050 11.556 -9.877) 34.572 14.314 ( 27.987 -5.828 -5.730) 29.156 14.314 ( 27.987 5.828 -5.730) 29.156 15.507 ( -10.839 -2.056 -0.659) 11.052 15.507 ( -10.839 2.056 -0.659) 11.052 16.406 ( 4.708 -5.115 0.652) 6.983 16.406 ( 4.708 5.115 0.652) 6.983 16.692 ( -2.699 -10.594 -2.063) 11.125 16.692 ( -2.699 10.594 -2.063) 11.125 19.876 ( 3.244 -0.912 14.372) 14.761 19.876 ( 3.244 0.912 14.372) 14.761 20.137 ( -2.909 -1.337 10.236) 10.725 20.137 ( -2.909 1.337 10.236) 10.725 ======================= Grid point 264 (96/168) ======================= q-point: ( 0.40 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( 5.958 -15.895 -4.851) 17.654 4.126 ( 5.958 15.895 -4.851) 17.654 4.249 ( -6.388 -14.917 -4.396) 16.812 4.249 ( -6.388 14.917 -4.396) 16.812 5.341 ( 17.117 -8.104 13.581) 23.304 5.341 ( 17.117 8.104 13.581) 23.304 5.672 ( -15.843 -12.125 13.293) 23.973 5.672 ( -15.843 12.125 13.293) 23.973 7.397 ( 12.137 -13.502 -16.112) 24.274 7.397 ( 12.137 13.502 -16.112) 24.274 7.676 ( -16.065 -11.644 -16.598) 25.868 7.676 ( -16.065 11.644 -16.598) 25.868 8.978 ( 15.461 -12.654 -1.334) 20.024 8.978 ( 15.461 12.654 -1.334) 20.024 9.258 ( -12.860 -12.288 0.655) 17.799 9.258 ( -12.860 12.288 0.655) 17.799 9.899 ( 13.933 -5.433 -19.819) 24.828 9.899 ( 13.933 5.433 -19.819) 24.828 10.151 ( -11.319 -4.613 -20.464) 23.837 10.151 ( -11.319 4.613 -20.464) 23.837 12.091 ( 20.056 -20.948 -12.721) 31.668 12.091 ( 20.056 20.948 -12.721) 31.668 12.556 ( -27.379 -16.069 -11.724) 33.842 12.556 ( -27.379 16.069 -11.724) 33.842 14.816 ( 23.566 -3.754 -4.129) 24.218 14.816 ( 23.566 3.754 -4.129) 24.218 15.222 ( -18.098 -2.105 -2.328) 18.368 15.222 ( -18.098 2.105 -2.328) 18.368 16.512 ( 5.807 -6.746 0.109) 8.902 16.512 ( 5.807 6.746 0.109) 8.902 16.618 ( -4.833 -8.877 -0.946) 10.151 16.618 ( -4.833 8.877 -0.946) 10.151 19.959 ( 5.063 -0.794 13.059) 14.029 19.959 ( 5.063 0.794 13.059) 14.029 20.059 ( -4.857 -0.478 11.483) 12.477 20.059 ( -4.857 0.478 11.483) 12.477 ======================= Grid point 300 (97/168) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 0.000 0.000 22.764) 22.764 3.214 ( 0.000 0.000 35.043) 35.043 3.571 ( 0.000 0.000 9.003) 9.003 4.044 ( 0.000 0.000 2.002) 2.002 4.169 ( 0.000 0.000 4.109) 4.109 4.368 ( 0.000 0.000 -5.899) 5.899 4.657 ( 0.000 0.000 29.388) 29.388 4.863 ( 0.000 0.000 -5.370) 5.370 5.686 ( 0.000 0.000 27.719) 27.719 6.821 ( 0.000 0.000 8.854) 8.854 7.424 ( 0.000 0.000 0.987) 0.987 8.024 ( 0.000 0.000 11.566) 11.566 8.635 ( 0.000 0.000 23.628) 23.628 8.817 ( 0.000 0.000 30.992) 30.992 8.842 ( 0.000 0.000 34.260) 34.260 9.018 ( 0.000 0.000 -2.175) 2.175 9.313 ( 0.000 0.000 11.356) 11.356 10.070 ( 0.000 0.000 12.880) 12.880 10.429 ( 0.000 0.000 0.798) 0.798 11.820 ( 0.000 0.000 -17.166) 17.166 12.259 ( 0.000 0.000 -25.225) 25.225 12.366 ( 0.000 0.000 -22.921) 22.921 13.298 ( 0.000 0.000 -4.197) 4.197 13.704 ( 0.000 0.000 24.698) 24.698 14.331 ( 0.000 0.000 18.304) 18.304 14.404 ( 0.000 0.000 -24.057) 24.057 14.811 ( 0.000 0.000 19.193) 19.193 16.198 ( 0.000 0.000 -18.440) 18.440 16.214 ( 0.000 0.000 -8.185) 8.185 16.337 ( 0.000 0.000 -15.592) 15.592 16.448 ( 0.000 0.000 -8.935) 8.935 17.248 ( 0.000 0.000 -19.278) 19.278 20.032 ( 0.000 0.000 0.073) 0.073 20.084 ( 0.000 0.000 -4.251) 4.251 21.093 ( 0.000 0.000 -8.114) 8.114 21.299 ( 0.000 0.000 -7.677) 7.677 ======================= Grid point 301 (98/168) ======================= q-point: ( 0.20 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 2.598 0.000 21.761) 21.916 3.276 ( 5.587 0.000 33.893) 34.350 3.518 ( -4.829 0.000 11.069) 12.076 3.936 ( -17.335 0.000 10.166) 20.097 4.094 ( 4.471 0.000 0.481) 4.497 4.347 ( -2.201 0.000 -5.471) 5.897 4.813 ( 14.665 0.000 27.486) 31.154 5.108 ( 17.348 0.000 -8.046) 19.123 5.745 ( 6.597 0.000 29.316) 30.049 6.689 ( -12.688 0.000 10.752) 16.631 7.359 ( -4.846 0.000 5.113) 7.045 7.879 ( -13.908 0.000 12.270) 18.547 8.702 ( 6.370 0.000 17.827) 18.931 8.819 ( 0.264 0.000 31.298) 31.299 8.840 ( -0.215 0.000 33.942) 33.942 8.988 ( -1.459 0.000 1.507) 2.098 9.482 ( 13.735 0.000 6.817) 15.334 10.073 ( -1.635 0.000 1.910) 2.514 10.617 ( 19.838 0.000 7.648) 21.261 11.861 ( 4.103 0.000 -17.236) 17.718 12.131 ( -13.762 0.000 -20.299) 24.524 12.295 ( -6.709 0.000 -21.292) 22.324 13.283 ( 0.226 0.000 -5.979) 5.983 13.780 ( 7.318 0.000 22.949) 24.087 14.080 ( -22.476 0.000 -11.631) 25.307 14.280 ( -5.071 0.000 18.351) 19.039 15.129 ( 22.172 0.000 3.728) 22.483 16.213 ( 1.493 0.000 -18.077) 18.139 16.289 ( -6.676 0.000 -4.746) 8.191 16.326 ( -1.188 0.000 -15.797) 15.842 16.370 ( 6.169 0.000 -13.424) 14.774 17.182 ( -7.015 0.000 -17.769) 19.104 20.033 ( 0.331 0.000 0.635) 0.716 20.088 ( 0.113 0.000 -2.461) 2.464 21.101 ( 1.031 0.000 -8.240) 8.305 21.272 ( -2.652 0.000 -7.827) 8.264 ======================= Grid point 302 (99/168) ======================= q-point: ( 0.40 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 4.726 0.000 18.991) 19.570 3.410 ( -5.829 0.000 15.091) 16.178 3.412 ( 8.602 0.000 29.031) 30.279 3.625 ( -13.687 0.000 20.346) 24.522 4.192 ( 5.230 0.000 -2.101) 5.636 4.285 ( -4.104 0.000 -4.190) 5.865 5.134 ( 15.407 0.000 19.439) 24.804 5.305 ( 0.066 0.000 4.136) 4.136 5.985 ( 18.087 0.000 22.229) 28.658 6.368 ( -19.412 0.000 14.227) 24.067 7.339 ( 4.998 0.000 10.274) 11.426 7.562 ( -16.318 0.000 12.404) 20.497 8.826 ( 0.407 0.000 32.106) 32.108 8.834 ( -0.376 0.000 33.115) 33.117 8.844 ( 7.158 0.000 9.528) 11.918 8.950 ( -3.413 0.000 4.682) 5.794 9.757 ( 13.505 0.000 2.835) 13.800 9.975 ( -8.416 0.000 -1.258) 8.509 11.136 ( 30.912 0.000 2.586) 31.020 11.722 ( -27.364 0.000 -8.852) 28.761 11.975 ( 7.417 0.000 -17.646) 19.141 12.137 ( -8.852 0.000 -18.909) 20.878 13.375 ( 9.996 0.000 -9.349) 13.687 13.664 ( -19.121 0.000 -10.128) 21.638 13.956 ( 9.986 0.000 20.294) 22.618 14.143 ( -8.770 0.000 18.810) 20.754 15.563 ( 22.139 0.000 -3.718) 22.449 15.976 ( -19.913 0.000 -7.142) 21.155 16.251 ( 2.231 0.000 -17.242) 17.386 16.293 ( -2.046 0.000 -16.386) 16.513 16.656 ( 17.275 0.000 -12.146) 21.118 16.973 ( -14.259 0.000 -14.719) 20.493 20.051 ( 1.392 0.000 1.488) 2.038 20.078 ( -1.169 0.000 0.439) 1.249 21.139 ( 2.876 0.000 -8.422) 8.900 21.206 ( -3.781 0.000 -8.212) 9.041 ======================= Grid point 305 (100/168) ======================= q-point: ( 0.00 0.07 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( 0.000 -15.511 28.978) 32.868 3.210 ( 0.000 0.482 31.252) 31.256 3.640 ( 0.000 5.556 10.358) 11.754 4.091 ( 0.000 0.038 3.794) 3.795 4.405 ( 0.000 20.590 6.565) 21.611 4.531 ( 0.000 19.122 -6.721) 20.268 4.912 ( 0.000 9.448 -2.800) 9.854 5.046 ( 0.000 27.378 18.416) 32.995 5.828 ( 0.000 14.208 26.185) 29.791 6.800 ( 0.000 -2.280 7.596) 7.931 7.450 ( 0.000 2.855 2.749) 3.964 7.848 ( 0.000 -16.153 21.811) 27.141 8.462 ( 0.000 -9.435 21.028) 23.047 8.727 ( 0.000 -7.467 27.564) 28.557 8.795 ( 0.000 -3.620 -1.375) 3.872 9.157 ( 0.000 5.214 22.198) 22.802 9.391 ( 0.000 6.630 8.912) 11.108 10.044 ( 0.000 -1.874 12.526) 12.665 10.381 ( 0.000 -4.592 0.734) 4.650 11.861 ( 0.000 -25.208 -28.052) 37.714 11.864 ( 0.000 2.910 -18.963) 19.185 12.624 ( 0.000 11.876 -18.399) 21.899 13.141 ( 0.000 -40.259 10.661) 41.646 13.198 ( 0.000 -9.337 -9.142) 13.067 14.034 ( 0.000 -6.171 16.170) 17.308 14.815 ( 0.000 0.299 17.954) 17.957 15.114 ( 0.000 34.281 -5.601) 34.736 16.181 ( 0.000 -3.112 -15.780) 16.084 16.220 ( 0.000 0.396 -8.044) 8.053 16.305 ( 0.000 -1.478 -14.671) 14.745 16.475 ( 0.000 2.016 -9.975) 10.177 17.277 ( 0.000 2.385 -18.470) 18.624 20.071 ( 0.000 3.415 0.354) 3.433 20.088 ( 0.000 0.353 -3.408) 3.426 21.051 ( 0.000 -3.934 -7.033) 8.059 21.257 ( 0.000 -4.039 -6.928) 8.020 ======================= Grid point 306 (101/168) ======================= q-point: ( 0.20 0.07 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 1.285 -12.788 29.324) 32.017 3.391 ( 11.284 0.923 25.474) 27.877 3.610 ( -3.281 6.085 12.847) 14.589 3.948 ( -12.712 1.799 11.123) 16.987 4.351 ( -1.128 22.688 3.574) 22.996 4.477 ( -2.111 12.195 -5.527) 13.554 5.099 ( 9.468 23.508 18.276) 31.246 5.232 ( 18.554 13.513 -5.526) 23.609 5.862 ( 4.137 11.860 27.812) 30.517 6.682 ( -11.106 -0.838 9.487) 14.630 7.361 ( -6.562 0.760 7.543) 10.027 7.766 ( -9.697 -10.352 16.369) 21.660 8.512 ( 5.495 -10.915 21.508) 24.737 8.720 ( 0.232 -7.539 14.292) 16.160 8.874 ( 5.587 0.688 13.448) 14.579 9.138 ( -2.130 7.266 22.211) 23.467 9.461 ( 7.650 -0.803 7.269) 10.583 10.007 ( -4.150 -6.024 0.752) 7.353 10.596 ( 20.684 -2.106 7.186) 21.997 11.811 ( -5.480 -20.509 -25.068) 32.849 11.906 ( 3.851 1.135 -19.057) 19.475 12.488 ( -13.054 8.444 -14.699) 21.396 13.103 ( -5.195 -19.140 -2.239) 19.958 13.155 ( -1.410 -33.153 -0.404) 33.186 14.082 ( 4.197 0.193 15.247) 15.815 14.594 ( -14.510 10.956 12.570) 22.104 15.339 ( 15.594 18.442 -2.253) 24.256 16.164 ( -5.072 -5.938 -13.610) 15.691 16.251 ( -0.317 0.423 -11.519) 11.531 16.354 ( 8.531 1.767 -11.640) 14.539 16.447 ( 0.088 4.800 -11.899) 12.831 17.210 ( -7.054 2.434 -17.449) 18.977 20.068 ( 0.022 3.044 0.587) 3.101 20.095 ( 0.326 0.651 -1.545) 1.708 21.059 ( 0.997 -3.954 -7.151) 8.232 21.229 ( -2.754 -4.140 -6.958) 8.552 ======================= Grid point 307 (102/168) ======================= q-point: ( 0.40 0.07 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 11.011 -8.686 24.328) 28.081 3.354 ( -13.593 -2.384 16.498) 21.509 3.648 ( 6.615 7.922 22.064) 24.359 3.762 ( -6.010 8.565 19.507) 22.136 4.377 ( 2.694 17.751 -0.140) 17.955 4.433 ( -2.701 14.342 -2.682) 14.838 5.318 ( 11.692 17.165 15.179) 25.725 5.454 ( 0.747 14.839 2.879) 15.134 6.052 ( 16.253 6.841 20.991) 27.415 6.402 ( -17.354 3.352 12.680) 21.753 7.312 ( 3.760 -1.996 11.849) 12.591 7.507 ( -14.353 -4.899 13.583) 20.360 8.638 ( 5.943 -9.998 17.400) 20.929 8.713 ( -1.741 -7.931 13.994) 16.179 8.980 ( 5.298 5.577 18.873) 20.380 9.075 ( -4.256 7.494 20.877) 22.586 9.665 ( 11.928 -7.837 2.972) 14.578 9.877 ( -9.163 -8.758 -1.739) 12.794 11.096 ( 28.299 -3.651 1.124) 28.556 11.586 ( -19.331 -11.020 -13.465) 26.009 12.013 ( 7.214 0.315 -18.009) 19.403 12.204 ( -13.217 1.710 -14.426) 19.640 13.047 ( 0.446 -23.017 -6.010) 23.793 13.102 ( -3.919 -31.862 -3.493) 32.292 14.184 ( 6.611 8.095 14.249) 17.671 14.348 ( -10.491 11.170 12.984) 20.085 15.646 ( 15.936 6.590 -6.456) 18.414 15.949 ( -14.654 -2.205 -10.406) 18.108 16.291 ( 3.239 3.148 -12.724) 13.502 16.356 ( -3.141 4.504 -11.470) 12.716 16.685 ( 17.255 3.066 -13.423) 22.075 17.001 ( -14.185 2.762 -15.245) 21.006 20.076 ( 0.784 2.317 1.555) 2.898 20.092 ( -0.615 1.272 0.879) 1.664 21.095 ( 2.781 -4.099 -7.306) 8.827 21.162 ( -3.786 -4.229 -7.157) 9.135 ======================= Grid point 310 (103/168) ======================= q-point: ( 0.00 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 0.000 -13.540 31.705) 34.475 3.241 ( 0.000 2.063 23.875) 23.964 3.745 ( 0.000 4.332 11.370) 12.168 4.100 ( 0.000 2.014 9.473) 9.685 4.734 ( 0.000 13.918 -1.323) 13.981 5.133 ( 0.000 11.241 3.099) 11.661 5.231 ( 0.000 41.261 2.636) 41.345 5.696 ( 0.000 32.725 6.034) 33.276 6.262 ( 0.000 24.390 17.041) 29.753 6.703 ( 0.000 -7.784 4.848) 9.170 7.516 ( 0.000 -10.168 31.538) 33.136 7.566 ( 0.000 8.620 5.186) 10.060 8.293 ( 0.000 -8.150 1.860) 8.360 8.559 ( 0.000 -7.613 19.523) 20.955 8.681 ( 0.000 -8.665 -2.979) 9.162 9.159 ( 0.000 -2.449 24.529) 24.651 9.548 ( 0.000 7.594 0.197) 7.596 10.012 ( 0.000 -1.489 10.933) 11.034 10.253 ( 0.000 -6.911 2.344) 7.298 11.265 ( 0.000 -31.996 -30.051) 43.895 11.738 ( 0.000 -22.966 -19.609) 30.199 12.532 ( 0.000 -8.822 6.182) 10.772 12.815 ( 0.000 4.293 -9.750) 10.653 12.950 ( 0.000 -11.175 -22.743) 25.340 13.956 ( 0.000 -1.746 17.511) 17.598 14.809 ( 0.000 -1.583 13.207) 13.302 15.700 ( 0.000 21.845 -1.492) 21.896 16.051 ( 0.000 -8.074 -9.813) 12.708 16.216 ( 0.000 -1.281 -8.526) 8.622 16.307 ( 0.000 0.792 -10.990) 11.018 16.507 ( 0.000 1.050 -11.127) 11.176 17.322 ( 0.000 1.383 -16.403) 16.461 20.097 ( 0.000 0.383 -1.170) 1.231 20.153 ( 0.000 4.010 1.621) 4.325 20.940 ( 0.000 -6.520 -4.355) 7.841 21.136 ( 0.000 -7.495 -4.956) 8.985 ======================= Grid point 311 (104/168) ======================= q-point: ( 0.20 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 6.755 -9.376 29.562) 31.740 3.355 ( 7.583 -2.797 20.719) 22.239 3.709 ( -3.668 3.752 13.288) 14.287 4.025 ( -6.074 5.826 13.361) 15.791 4.762 ( 2.531 15.220 -0.224) 15.430 4.896 ( -8.606 23.546 2.577) 25.201 5.580 ( 16.743 24.839 6.100) 30.569 5.742 ( 7.139 31.605 1.923) 32.458 6.234 ( -2.310 21.307 17.327) 27.560 6.642 ( -5.167 -2.644 5.898) 8.275 7.431 ( -7.837 6.571 15.819) 18.837 7.535 ( -4.211 -8.124 17.269) 19.543 8.329 ( 4.345 -7.134 6.500) 10.584 8.547 ( -0.135 -8.519 5.679) 10.239 8.817 ( 11.032 -8.092 8.867) 16.303 9.173 ( 1.148 -0.932 23.765) 23.811 9.542 ( -0.468 7.932 4.907) 9.339 9.853 ( -10.016 -7.615 1.197) 12.639 10.530 ( 21.687 -4.210 5.132) 22.681 11.280 ( 1.230 -30.054 -28.617) 41.517 11.732 ( -0.519 -25.380 -18.149) 31.206 12.421 ( -15.654 -10.132 0.624) 18.657 12.705 ( -4.960 -2.904 -4.083) 7.050 12.898 ( -3.819 -3.540 -21.598) 22.217 14.080 ( 10.201 0.199 14.443) 17.684 14.697 ( -9.940 0.785 11.508) 15.227 15.699 ( 0.635 12.473 -3.521) 12.976 16.033 ( -4.256 -5.355 -10.325) 12.385 16.240 ( 3.382 -2.227 -4.643) 6.161 16.404 ( 7.004 2.195 -11.108) 13.314 16.534 ( 5.151 4.117 -12.325) 13.978 17.261 ( -6.311 1.953 -16.095) 17.398 20.105 ( 0.804 0.686 -0.113) 1.063 20.148 ( -0.470 3.781 1.968) 4.288 20.947 ( 0.863 -6.598 -4.425) 7.991 21.106 ( -2.867 -7.518 -4.719) 9.328 ======================= Grid point 312 (105/168) ======================= q-point: ( 0.40 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 15.470 -5.043 23.997) 28.994 3.287 ( -14.794 -4.854 17.830) 23.671 3.745 ( 8.188 4.409 17.652) 19.951 3.904 ( -7.009 6.618 16.638) 19.229 4.802 ( 1.124 18.215 1.358) 18.300 4.817 ( -0.949 20.843 3.419) 21.143 5.776 ( 8.410 24.391 8.875) 27.284 5.901 ( -0.513 26.455 2.888) 26.617 6.280 ( 10.618 14.859 12.512) 22.138 6.510 ( -9.506 7.170 7.034) 13.829 7.312 ( -1.722 4.063 14.833) 15.475 7.393 ( -8.356 -4.736 14.787) 17.632 8.446 ( 6.299 -8.263 7.083) 12.575 8.532 ( -2.262 -9.151 3.176) 9.947 9.037 ( 10.231 -3.396 16.599) 19.792 9.169 ( -2.878 0.777 21.841) 22.043 9.557 ( 3.125 1.747 5.804) 6.820 9.674 ( -8.229 -8.369 -1.562) 11.841 10.991 ( 23.109 -6.589 -3.738) 24.319 11.272 ( -4.549 -20.802 -21.897) 30.543 11.742 ( 3.473 -29.016 -12.905) 31.945 11.990 ( -22.365 -19.587 -2.434) 29.829 12.712 ( 3.742 -1.560 -8.981) 9.853 12.807 ( -5.328 -0.810 -16.626) 17.477 14.283 ( 10.251 2.655 11.792) 15.848 14.486 ( -10.883 2.963 10.626) 15.497 15.754 ( 5.298 2.238 -7.485) 9.439 15.894 ( -8.402 -3.002 -9.964) 13.375 16.337 ( 5.404 0.608 -4.605) 7.126 16.422 ( -2.897 1.389 -6.321) 7.091 16.783 ( 16.273 5.764 -14.972) 22.852 17.075 ( -12.813 3.662 -15.419) 20.379 20.122 ( 0.844 1.671 1.755) 2.566 20.137 ( -0.667 2.946 2.439) 3.883 20.978 ( 2.431 -6.951 -4.488) 8.624 21.039 ( -3.635 -7.387 -4.480) 9.372 ======================= Grid point 315 (106/168) ======================= q-point: ( 0.00 0.21 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 -3.637 20.190) 20.515 3.281 ( 0.000 1.974 15.593) 15.717 3.841 ( 0.000 5.546 11.016) 12.333 4.207 ( 0.000 8.652 13.866) 16.344 4.980 ( 0.000 9.486 0.716) 9.513 5.314 ( 0.000 5.645 9.181) 10.777 6.097 ( 0.000 40.378 2.788) 40.474 6.315 ( 0.000 18.866 5.091) 19.541 6.464 ( 0.000 -14.787 4.317) 15.404 6.644 ( 0.000 18.881 2.152) 19.003 7.639 ( 0.000 18.988 21.732) 28.859 7.762 ( 0.000 7.538 3.865) 8.471 8.110 ( 0.000 -8.630 -10.669) 13.723 8.410 ( 0.000 -14.874 4.437) 15.522 8.471 ( 0.000 1.077 7.827) 7.900 9.162 ( 0.000 2.038 25.239) 25.321 9.628 ( 0.000 -2.098 -14.088) 14.243 9.974 ( 0.000 -1.163 5.065) 5.197 10.173 ( 0.000 1.026 8.833) 8.892 10.569 ( 0.000 -33.945 -29.576) 45.022 11.095 ( 0.000 -31.157 -14.536) 34.381 12.577 ( 0.000 -16.448 -25.925) 30.703 12.647 ( 0.000 12.903 -2.543) 13.151 13.005 ( 0.000 6.613 -12.297) 13.963 13.944 ( 0.000 -0.164 13.255) 13.256 14.717 ( 0.000 -7.857 4.875) 9.246 15.893 ( 0.000 -6.622 -2.698) 7.150 16.019 ( 0.000 9.410 6.170) 11.252 16.147 ( 0.000 -5.261 -10.936) 12.136 16.315 ( 0.000 -0.059 -5.308) 5.308 16.532 ( 0.000 1.510 -11.131) 11.233 17.316 ( 0.000 -2.189 -13.731) 13.905 20.100 ( 0.000 -0.081 1.749) 1.751 20.219 ( 0.000 2.073 4.255) 4.734 20.792 ( 0.000 -7.538 -1.133) 7.622 20.956 ( 0.000 -9.737 -2.463) 10.044 ======================= Grid point 316 (107/168) ======================= q-point: ( 0.20 0.21 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 10.280 -3.215 19.156) 21.977 3.309 ( 0.202 -1.283 14.859) 14.915 3.814 ( -0.851 7.280 12.206) 14.237 4.192 ( -2.223 10.269 14.039) 17.535 5.025 ( 4.057 9.832 2.502) 10.926 5.243 ( -5.655 10.358 6.708) 13.574 6.064 ( -1.459 13.065 6.189) 14.530 6.363 ( 4.106 18.480 8.608) 20.796 6.553 ( 5.719 16.808 -3.117) 18.026 6.683 ( 4.142 10.928 2.066) 11.868 7.506 ( -9.923 6.547 13.197) 17.762 7.697 ( -6.623 15.745 13.684) 21.887 8.180 ( 5.469 -8.292 -11.116) 14.908 8.409 ( -1.250 -4.357 3.717) 5.862 8.581 ( 11.390 -8.720 8.847) 16.854 9.190 ( 0.960 0.499 22.975) 23.000 9.603 ( -1.623 -3.901 -12.214) 12.924 9.844 ( -7.002 8.686 12.153) 16.498 10.424 ( 18.887 -7.136 -1.799) 20.270 10.617 ( 5.289 -30.586 -25.607) 40.239 11.065 ( -2.704 -31.692 -13.586) 34.587 12.257 ( -26.423 -8.807 -11.204) 30.021 12.720 ( 2.976 3.896 -14.695) 15.491 12.940 ( -4.566 5.060 -13.902) 15.483 14.104 ( 12.861 1.889 10.646) 16.802 14.650 ( -6.131 -5.154 5.056) 9.472 15.774 ( -6.587 -3.325 -0.559) 7.400 15.992 ( -8.419 -1.247 -9.036) 12.414 16.175 ( 7.644 -2.219 2.844) 8.452 16.413 ( 3.930 -1.084 -5.534) 6.873 16.625 ( 10.423 3.922 -12.333) 16.617 17.269 ( -4.945 -1.571 -13.684) 14.635 20.115 ( 1.400 0.142 2.454) 2.829 20.212 ( -0.737 2.107 4.069) 4.641 20.797 ( 0.568 -7.710 -1.101) 7.809 20.927 ( -2.702 -9.585 -1.948) 10.147 ======================= Grid point 317 (108/168) ======================= q-point: ( 0.40 0.21 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 16.304 -3.386 16.945) 23.757 3.177 ( -13.545 -4.388 14.915) 20.619 3.900 ( 9.334 10.910 13.645) 19.808 4.091 ( -8.396 11.612 13.772) 19.875 5.098 ( 2.859 10.132 4.827) 11.581 5.151 ( -3.351 11.454 5.506) 13.143 6.134 ( 8.918 4.833 6.452) 12.021 6.329 ( -8.092 7.771 7.595) 13.548 6.680 ( 6.347 25.887 -0.603) 26.661 6.745 ( 0.315 17.190 -1.504) 17.258 7.396 ( 1.011 6.519 12.078) 13.763 7.525 ( -9.827 14.745 13.056) 22.010 8.287 ( 5.075 -7.853 -5.321) 10.758 8.367 ( -3.074 -5.547 0.252) 6.346 8.849 ( 14.803 -9.122 8.921) 19.543 9.105 ( -10.127 -6.549 12.558) 17.411 9.629 ( 4.450 4.001 2.387) 6.443 9.731 ( -5.360 10.871 11.462) 16.682 10.708 ( 8.426 -29.322 -23.956) 38.790 10.797 ( 4.582 -16.719 -16.272) 23.776 11.107 ( 16.619 -23.272 -3.618) 28.825 11.656 ( -32.922 -11.266 -5.048) 35.161 12.778 ( 3.436 3.051 -17.708) 18.294 12.855 ( -4.285 3.249 -17.051) 17.878 14.339 ( 10.439 3.436 8.577) 13.941 14.511 ( -7.799 0.353 6.638) 10.247 15.717 ( 1.340 -5.117 -3.638) 6.420 15.817 ( -8.168 -5.284 -6.886) 11.919 16.325 ( 6.796 -1.080 0.022) 6.881 16.419 ( -2.620 -1.198 -2.862) 4.061 16.882 ( 13.924 2.954 -13.204) 19.415 17.121 ( -10.224 0.308 -13.536) 16.966 20.150 ( 2.096 0.906 3.528) 4.202 20.188 ( -1.680 1.801 3.880) 4.595 20.818 ( 1.760 -8.292 -1.014) 8.537 20.867 ( -3.092 -9.076 -1.187) 9.662 ======================= Grid point 320 (109/168) ======================= q-point: ( 0.00 0.29 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.000 11.345 -0.009) 11.345 3.346 ( 0.000 4.919 8.321) 9.666 3.987 ( 0.000 8.671 7.272) 11.317 4.448 ( 0.000 13.889 13.844) 19.610 5.128 ( 0.000 5.158 4.448) 6.811 5.365 ( 0.000 -0.408 10.049) 10.057 6.065 ( 0.000 -21.037 -0.695) 21.048 6.427 ( 0.000 1.888 5.252) 5.581 6.896 ( 0.000 34.254 6.195) 34.810 7.220 ( 0.000 25.323 0.133) 25.323 7.652 ( 0.000 -14.283 -16.968) 22.180 7.775 ( 0.000 -6.004 -3.909) 7.164 8.098 ( 0.000 -1.501 1.305) 1.989 8.395 ( 0.000 19.404 10.554) 22.089 8.634 ( 0.000 11.902 -0.620) 11.918 9.120 ( 0.000 -7.474 21.199) 22.478 9.487 ( 0.000 -9.130 -19.039) 21.115 9.864 ( 0.000 -28.570 -28.959) 40.679 10.055 ( 0.000 8.682 -4.903) 9.971 10.316 ( 0.000 5.906 9.619) 11.288 10.600 ( 0.000 -13.979 -10.096) 17.243 12.255 ( 0.000 -13.909 -32.189) 35.066 12.952 ( 0.000 15.705 -4.032) 16.214 13.136 ( 0.000 5.897 -8.443) 10.298 13.917 ( 0.000 -3.143 6.649) 7.355 14.485 ( 0.000 -13.947 -1.970) 14.085 15.779 ( 0.000 -4.814 1.082) 4.934 15.975 ( 0.000 -8.713 -2.995) 9.213 16.180 ( 0.000 5.376 1.970) 5.725 16.312 ( 0.000 -0.036 0.275) 0.277 16.554 ( 0.000 0.111 -8.627) 8.628 17.228 ( 0.000 -6.212 -10.874) 12.523 20.091 ( 0.000 -0.772 4.574) 4.638 20.236 ( 0.000 -0.347 7.748) 7.756 20.636 ( 0.000 -7.444 2.011) 7.711 20.744 ( 0.000 -10.422 -0.163) 10.424 ======================= Grid point 321 (110/168) ======================= q-point: ( 0.20 0.29 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 8.502 9.651 1.311) 12.929 3.326 ( -3.816 3.547 8.261) 9.767 4.014 ( 4.330 11.620 7.446) 14.464 4.442 ( -1.361 13.358 12.768) 18.528 5.175 ( 4.105 5.281 5.378) 8.582 5.369 ( -0.005 2.546 7.503) 7.923 6.006 ( -4.147 -12.953 -1.857) 13.727 6.371 ( -3.576 -4.505 10.223) 11.730 7.012 ( 5.721 19.997 1.105) 20.828 7.214 ( 2.001 28.045 0.319) 28.118 7.561 ( -6.062 -2.954 -8.373) 10.751 7.782 ( -0.402 -9.298 -3.560) 9.964 8.133 ( 2.537 2.515 -0.494) 3.606 8.416 ( -0.934 9.654 5.388) 11.095 8.641 ( 4.107 10.904 2.150) 11.848 9.141 ( -0.667 -2.776 11.015) 11.379 9.494 ( 3.131 -8.444 -11.551) 14.647 9.882 ( 0.387 -22.812 -21.955) 31.664 10.118 ( 5.224 6.301 -1.855) 8.392 10.404 ( 8.183 -4.222 -5.814) 10.890 10.596 ( 2.095 -8.101 -3.283) 8.989 12.080 ( -20.011 -7.176 -24.212) 32.221 12.780 ( -8.119 1.190 -9.624) 12.648 13.082 ( -7.118 7.755 -10.626) 14.957 14.129 ( 16.912 -0.379 4.376) 17.473 14.509 ( 2.093 -7.258 -0.290) 7.559 15.679 ( -7.568 -5.116 1.655) 9.284 15.868 ( -10.621 -9.078 -6.341) 15.343 16.201 ( 4.968 3.608 5.094) 7.978 16.381 ( 2.868 -1.535 -0.922) 3.382 16.669 ( 10.461 0.073 -8.839) 13.695 17.192 ( -3.788 -5.768 -10.757) 12.780 20.110 ( 1.827 -0.607 4.967) 5.327 20.232 ( -0.546 -0.116 7.058) 7.080 20.636 ( 0.076 -7.730 2.153) 8.025 20.720 ( -2.243 -10.161 0.601) 10.423 ======================= Grid point 322 (111/168) ======================= q-point: ( 0.40 0.29 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 13.840 6.226 4.177) 15.740 3.158 ( -12.692 3.432 6.881) 14.839 4.175 ( 10.901 14.611 8.678) 20.190 4.364 ( -7.201 13.884 10.679) 18.938 5.252 ( 3.759 5.871 4.705) 8.411 5.332 ( -3.986 7.014 4.515) 9.245 6.036 ( 8.483 -10.570 2.267) 13.741 6.248 ( -10.194 -10.726 8.304) 16.968 7.083 ( 5.120 11.382 -1.695) 12.595 7.213 ( -5.852 19.141 -2.746) 20.203 7.570 ( 7.775 6.905 2.420) 10.677 7.725 ( -6.002 -0.112 1.371) 6.158 8.199 ( 4.887 3.237 -1.756) 6.120 8.321 ( -6.932 2.337 -0.185) 7.318 8.818 ( 11.636 6.297 0.436) 13.238 9.032 ( -9.498 1.940 -0.845) 9.731 9.641 ( 10.177 -6.641 -1.729) 12.275 9.819 ( -6.997 -9.444 -6.087) 13.236 10.253 ( 8.450 -7.185 -7.716) 13.512 10.407 ( -6.304 -14.327 -13.641) 20.762 10.912 ( 27.707 1.276 -3.528) 27.960 11.527 ( -33.197 -0.640 -11.596) 35.170 12.757 ( 4.436 -4.719 -17.333) 18.503 12.904 ( -9.654 0.164 -15.686) 18.420 14.424 ( 11.258 4.115 3.198) 12.406 14.534 ( -0.795 2.760 2.390) 3.737 15.575 ( -1.351 -8.221 -0.813) 8.371 15.657 ( -9.140 -9.823 -4.414) 14.125 16.316 ( 5.577 0.525 2.695) 6.217 16.391 ( -1.826 -1.140 0.376) 2.185 16.890 ( 11.211 -2.052 -9.674) 14.950 17.079 ( -7.889 -4.352 -10.388) 13.751 20.157 ( 2.856 -0.177 5.493) 6.194 20.208 ( -2.032 0.117 5.982) 6.318 20.643 ( 0.844 -8.503 2.366) 8.866 20.673 ( -2.216 -9.448 1.924) 9.893 ======================= Grid point 325 (112/168) ======================= q-point: ( 0.00 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 0.000 19.909 -10.962) 22.727 3.502 ( 0.000 10.280 0.657) 10.301 4.192 ( 0.000 10.208 -3.361) 10.747 4.695 ( 0.000 5.438 9.201) 10.688 5.209 ( 0.000 3.114 7.397) 8.025 5.314 ( 0.000 -3.884 12.122) 12.729 5.670 ( 0.000 -12.481 0.951) 12.517 6.505 ( 0.000 4.839 -0.068) 4.840 7.094 ( 0.000 -20.151 -9.342) 22.211 7.474 ( 0.000 9.986 2.002) 10.185 7.606 ( 0.000 2.155 -12.903) 13.082 7.874 ( 0.000 19.726 3.494) 20.034 8.069 ( 0.000 -0.074 -4.955) 4.956 8.763 ( 0.000 -4.289 -2.913) 5.185 8.777 ( 0.000 12.511 6.049) 13.897 8.996 ( 0.000 1.812 -0.833) 1.995 9.308 ( 0.000 -6.242 -25.983) 26.722 9.470 ( 0.000 -7.026 -18.300) 19.602 10.039 ( 0.000 -9.951 -28.107) 29.817 10.355 ( 0.000 -4.069 1.556) 4.356 10.727 ( 0.000 22.315 12.290) 25.475 12.022 ( 0.000 -8.630 -25.941) 27.339 13.245 ( 0.000 4.541 -8.329) 9.487 13.270 ( 0.000 14.387 -4.767) 15.156 13.803 ( 0.000 -7.468 0.946) 7.528 14.185 ( 0.000 -13.906 -3.666) 14.381 15.681 ( 0.000 -4.594 -0.073) 4.594 15.792 ( 0.000 -8.349 -4.150) 9.323 16.294 ( 0.000 5.897 3.591) 6.904 16.321 ( 0.000 0.981 3.774) 3.899 16.535 ( 0.000 -1.594 -4.696) 4.960 17.068 ( 0.000 -8.966 -7.921) 11.964 20.073 ( 0.000 -0.798 6.834) 6.881 20.211 ( 0.000 -1.891 10.982) 11.143 20.491 ( 0.000 -6.406 4.831) 8.023 20.537 ( 0.000 -9.228 1.672) 9.379 ======================= Grid point 326 (113/168) ======================= q-point: ( 0.20 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 5.538 18.869 -9.158) 21.693 3.471 ( -4.137 10.546 0.632) 11.346 4.256 ( 6.900 10.196 -3.116) 12.700 4.668 ( -2.658 4.579 8.147) 9.716 5.271 ( 5.626 4.761 6.843) 10.057 5.370 ( 4.974 -1.613 9.939) 11.231 5.694 ( 2.570 -12.067 0.614) 12.353 6.365 ( -13.305 2.826 3.660) 14.085 7.044 ( -1.827 -12.681 -6.085) 14.184 7.498 ( -0.534 -4.814 -4.782) 6.806 7.620 ( 0.780 1.454 -8.880) 9.032 7.761 ( -9.977 15.372 -1.161) 18.363 8.152 ( 9.097 2.691 -1.254) 9.570 8.647 ( -4.948 10.057 -1.536) 11.313 8.883 ( 4.495 9.792 1.564) 10.888 9.159 ( 13.226 0.066 -1.312) 13.291 9.287 ( -2.811 -3.999 -23.437) 23.941 9.504 ( 4.031 -9.682 -17.510) 20.411 10.074 ( 2.875 -11.274 -24.178) 26.832 10.313 ( -4.048 -5.076 -0.194) 6.495 10.814 ( 9.824 22.223 9.796) 26.198 11.982 ( -6.496 -2.692 -23.931) 24.943 12.787 ( -22.591 0.273 -2.572) 22.738 13.195 ( -17.401 1.566 -11.645) 20.997 14.086 ( 23.199 -2.106 -0.346) 23.297 14.394 ( 15.502 -3.963 -3.032) 16.286 15.566 ( -10.048 -5.625 -0.629) 11.533 15.680 ( -10.789 -8.392 -3.977) 14.235 16.298 ( 2.090 5.568 4.863) 7.682 16.364 ( 2.244 0.133 2.232) 3.168 16.635 ( 8.458 -2.972 -4.820) 10.179 17.040 ( -2.985 -8.667 -7.628) 11.925 20.094 ( 2.114 -0.672 6.981) 7.325 20.214 ( 0.080 -1.429 9.999) 10.101 20.483 ( -0.677 -6.880 4.904) 8.476 20.519 ( -1.712 -8.984 2.703) 9.536 ======================= Grid point 327 (114/168) ======================= q-point: ( 0.40 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 10.003 16.137 -5.249) 19.698 3.328 ( -9.926 12.760 -1.422) 16.228 4.433 ( 9.804 7.814 0.157) 12.538 4.589 ( -5.847 4.803 5.029) 9.085 5.385 ( 5.475 8.219 1.907) 10.058 5.448 ( 0.641 3.826 4.733) 6.120 5.797 ( 9.451 -9.974 4.538) 14.470 6.060 ( -16.252 -4.699 8.910) 19.121 7.103 ( 8.410 -6.962 -4.306) 11.737 7.341 ( -14.045 -4.624 -3.040) 15.096 7.620 ( 1.358 -8.100 -6.974) 10.775 7.660 ( -2.071 1.605 -5.710) 6.283 8.360 ( 10.831 11.758 -1.615) 16.068 8.538 ( -7.143 15.633 -2.449) 17.361 8.995 ( 7.297 7.465 -5.554) 11.825 9.150 ( -7.810 6.167 -13.091) 16.444 9.444 ( 11.477 -6.443 -7.714) 15.256 9.566 ( -0.316 -7.519 -13.569) 15.517 10.129 ( 3.185 -10.968 -13.034) 17.330 10.215 ( -5.375 -8.108 -5.309) 11.082 11.137 ( 23.210 18.723 0.980) 29.837 11.650 ( -26.274 11.778 -10.487) 30.644 12.605 ( 4.173 -9.495 -10.828) 14.994 12.834 ( -17.118 -6.881 -13.398) 22.801 14.504 ( 17.059 4.221 -1.894) 17.675 14.631 ( 5.413 5.685 -1.963) 8.092 15.382 ( -5.683 -10.240 -2.216) 11.919 15.446 ( -10.801 -9.819 -2.996) 14.902 16.354 ( 2.818 3.214 4.045) 5.885 16.386 ( -0.239 0.911 2.792) 2.946 16.807 ( 8.560 -5.630 -5.791) 11.769 16.951 ( -6.086 -7.634 -6.849) 11.926 20.149 ( 3.167 -0.448 7.173) 7.853 20.200 ( -1.757 -0.585 8.056) 8.267 20.472 ( -0.133 -7.932 5.139) 9.452 20.485 ( -1.395 -8.420 4.645) 9.717 ======================= Grid point 330 (115/168) ======================= q-point: ( 0.00 0.43 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 0.000 22.563 -11.418) 25.288 3.751 ( 0.000 12.461 -8.144) 14.886 4.328 ( 0.000 0.843 -13.884) 13.909 4.513 ( 0.000 -19.458 -0.805) 19.475 5.245 ( 0.000 -1.769 16.638) 16.732 5.251 ( 0.000 0.702 11.575) 11.596 5.734 ( 0.000 16.160 5.869) 17.192 6.493 ( 0.000 -10.863 -4.860) 11.901 6.823 ( 0.000 -1.362 -4.623) 4.820 7.232 ( 0.000 -15.383 -14.566) 21.185 7.977 ( 0.000 16.566 -5.301) 17.394 8.024 ( 0.000 2.476 4.980) 5.562 8.237 ( 0.000 9.453 -3.772) 10.177 8.512 ( 0.000 -15.008 -5.210) 15.886 8.952 ( 0.000 8.776 -13.524) 16.122 9.212 ( 0.000 13.650 -2.566) 13.889 9.234 ( 0.000 -3.343 -18.382) 18.683 9.467 ( 0.000 2.752 -15.834) 16.071 9.844 ( 0.000 -6.759 -32.193) 32.895 10.138 ( 0.000 -15.517 -12.363) 19.840 11.227 ( 0.000 23.080 11.401) 25.742 11.863 ( 0.000 -8.269 -9.515) 12.606 13.325 ( 0.000 3.553 -11.248) 11.796 13.495 ( 0.000 3.629 -11.778) 12.324 13.667 ( 0.000 -1.373 3.238) 3.517 13.944 ( 0.000 -9.198 -1.502) 9.320 15.600 ( 0.000 -2.863 -2.495) 3.798 15.647 ( 0.000 -5.399 -4.510) 7.034 16.350 ( 0.000 1.681 4.069) 4.402 16.400 ( 0.000 2.373 1.601) 2.862 16.528 ( 0.000 3.145 -0.789) 3.242 16.871 ( 0.000 -9.838 -4.818) 10.955 20.069 ( 0.000 0.588 8.592) 8.612 20.162 ( 0.000 -2.791 12.265) 12.578 20.379 ( 0.000 -4.119 6.728) 7.889 20.382 ( 0.000 -5.271 3.703) 6.441 ======================= Grid point 331 (116/168) ======================= q-point: ( 0.20 0.43 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( 4.474 22.608 -10.562) 25.351 3.743 ( -1.707 14.656 -7.111) 16.380 4.340 ( 1.691 -4.359 -12.839) 13.664 4.506 ( -0.913 -17.283 -1.816) 17.402 5.327 ( 8.551 0.075 16.628) 18.698 5.360 ( 10.156 1.181 9.652) 14.061 5.726 ( -1.029 14.350 5.889) 15.545 6.361 ( -12.919 -6.787 -0.200) 14.595 6.855 ( 3.486 -1.617 -6.059) 7.175 7.252 ( 2.267 -14.622 -13.922) 20.316 7.646 ( -18.762 2.226 -3.703) 19.254 7.917 ( -19.839 -2.012 -9.246) 21.980 8.339 ( 16.613 13.814 1.156) 21.637 8.753 ( 13.176 -3.088 -6.276) 14.917 9.014 ( 2.432 9.990 -11.764) 15.624 9.222 ( 4.587 8.292 -7.915) 12.347 9.353 ( 8.508 1.304 -14.538) 16.894 9.426 ( -2.393 0.574 -11.621) 11.878 9.849 ( 0.207 -8.428 -28.424) 29.648 10.097 ( -4.238 -14.382 -11.966) 19.182 11.305 ( 8.441 22.693 8.839) 25.775 11.912 ( 4.762 -5.796 -10.599) 12.985 12.824 ( -30.948 3.910 -3.303) 31.368 13.124 ( -26.717 -7.388 -10.258) 29.557 14.107 ( 28.075 3.989 -2.685) 28.483 14.314 ( 24.259 -4.270 -4.566) 25.051 15.470 ( -12.173 -2.979 -3.409) 12.988 15.534 ( -11.028 -5.608 -3.976) 12.995 16.380 ( 2.701 2.174 3.558) 4.968 16.429 ( 1.944 5.176 2.421) 6.036 16.571 ( 4.272 -1.769 -1.303) 4.804 16.848 ( -2.394 -9.578 -4.357) 10.791 20.092 ( 2.307 0.665 8.476) 8.809 20.177 ( 1.361 -2.134 11.563) 11.837 20.356 ( -2.026 -4.968 5.018) 7.346 20.371 ( -1.283 -4.931 6.279) 8.086 ======================= Grid point 332 (117/168) ======================= q-point: ( 0.40 0.43 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 7.289 21.690 -8.655) 24.464 3.663 ( -6.334 18.897 -6.999) 21.123 4.399 ( 3.950 -11.834 -8.814) 15.275 4.470 ( -2.902 -14.990 -4.536) 15.928 5.518 ( 9.388 4.506 11.034) 15.172 5.608 ( 8.707 10.274 6.054) 14.765 5.707 ( 4.752 2.082 10.759) 11.944 6.034 ( -19.373 -1.294 7.273) 20.734 6.979 ( 9.989 -1.521 -7.847) 12.793 7.235 ( -13.175 -2.191 -6.780) 14.978 7.392 ( 3.281 -12.820 -13.479) 18.889 7.584 ( -13.930 -8.661 -11.683) 20.138 8.645 ( 14.438 14.536 -4.095) 20.893 8.867 ( -6.214 15.345 -7.983) 18.380 9.050 ( 8.239 -1.317 -9.815) 12.882 9.233 ( -8.020 2.680 -13.334) 15.789 9.457 ( 9.629 3.669 -7.656) 12.838 9.542 ( 3.778 3.443 -10.635) 11.799 9.861 ( 2.704 -13.395 -18.451) 22.960 9.979 ( -7.425 -13.273 -12.411) 19.630 11.570 ( 18.753 21.034 2.306) 28.274 11.935 ( -10.867 13.033 -8.003) 18.762 12.388 ( -3.908 -10.141 -3.734) 11.491 12.636 ( -21.908 -11.639 -9.444) 26.545 14.609 ( 22.202 5.759 -4.484) 23.371 14.730 ( 15.178 2.996 -4.872) 16.219 15.191 ( -13.090 -6.872 -4.174) 15.362 15.263 ( -15.120 -7.696 -3.945) 17.418 16.431 ( 2.096 3.732 3.221) 5.357 16.451 ( 0.099 5.800 2.967) 6.516 16.675 ( 5.782 -6.751 -2.110) 9.135 16.779 ( -4.633 -8.711 -3.248) 10.388 20.150 ( 3.296 0.827 8.215) 8.890 20.194 ( -0.503 0.158 9.475) 9.489 20.321 ( -0.731 -6.252 6.395) 8.974 20.338 ( -1.839 -5.741 7.325) 9.487 ======================= Grid point 335 (118/168) ======================= q-point: ( 0.00 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 0.000 -15.331 -12.121) 19.544 3.800 ( 0.000 15.331 -12.121) 19.544 4.250 ( 0.000 -2.406 -9.061) 9.375 4.250 ( 0.000 2.406 -9.061) 9.375 5.246 ( 0.000 -0.912 15.777) 15.803 5.246 ( 0.000 0.912 15.777) 15.803 6.140 ( 0.000 -20.265 2.504) 20.419 6.140 ( 0.000 20.265 2.504) 20.419 6.949 ( 0.000 -10.947 -11.070) 15.569 6.949 ( 0.000 10.947 -11.070) 15.569 8.142 ( 0.000 -5.085 -10.342) 11.525 8.142 ( 0.000 5.085 -10.342) 11.525 8.304 ( 0.000 -0.525 3.374) 3.415 8.304 ( 0.000 0.525 3.374) 3.415 9.130 ( 0.000 -7.160 -16.609) 18.086 9.130 ( 0.000 7.160 -16.609) 18.086 9.456 ( 0.000 -6.650 -8.332) 10.661 9.456 ( 0.000 6.650 -8.332) 10.661 9.838 ( 0.000 -8.683 -27.362) 28.707 9.838 ( 0.000 8.683 -27.362) 28.707 11.627 ( 0.000 -15.254 4.107) 15.798 11.627 ( 0.000 15.254 4.107) 15.798 13.415 ( 0.000 -5.546 -13.117) 14.241 13.415 ( 0.000 5.546 -13.117) 14.241 13.781 ( 0.000 -7.399 1.427) 7.535 13.781 ( 0.000 7.399 1.427) 7.535 15.579 ( 0.000 -1.062 -4.107) 4.242 15.579 ( 0.000 1.062 -4.107) 4.242 16.388 ( 0.000 -1.859 2.362) 3.005 16.388 ( 0.000 1.859 2.362) 3.005 16.673 ( 0.000 -9.030 -1.696) 9.188 16.673 ( 0.000 9.030 -1.696) 9.188 20.102 ( 0.000 -2.593 10.496) 10.812 20.102 ( 0.000 2.593 10.496) 10.812 20.331 ( 0.000 -0.228 6.404) 6.408 20.331 ( 0.000 0.228 6.404) 6.408 ======================= Grid point 337 (119/168) ======================= q-point: ( 0.20 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.852 ( 5.013 -15.560 -11.308) 19.878 3.852 ( 5.013 15.560 -11.308) 19.878 4.212 ( -3.805 -7.441 -8.788) 12.127 4.212 ( -3.805 7.441 -8.788) 12.127 5.355 ( 10.697 -1.574 15.063) 18.542 5.355 ( 10.697 1.574 15.063) 18.542 6.088 ( -5.688 -17.499 4.350) 18.907 6.088 ( -5.688 17.499 4.350) 18.907 6.971 ( 2.841 -11.069 -11.798) 16.425 6.971 ( 2.841 11.069 -11.798) 16.425 7.773 ( -22.614 -8.998 -8.446) 25.762 7.773 ( -22.614 8.998 -8.446) 25.762 8.605 ( 16.838 -10.486 -3.032) 20.066 8.605 ( 16.838 10.486 -3.032) 20.066 9.257 ( 10.352 -9.448 -15.687) 21.036 9.257 ( 10.352 9.448 -15.687) 21.036 9.390 ( -5.157 -5.645 -8.534) 11.459 9.390 ( -5.158 5.645 -8.534) 11.459 9.830 ( -1.489 -7.959 -23.016) 24.398 9.830 ( -1.489 7.959 -23.016) 24.398 11.700 ( 7.811 -14.950 2.151) 17.004 11.700 ( 7.811 14.950 2.151) 17.004 12.952 ( -30.348 -8.067 -7.277) 32.234 12.952 ( -30.348 8.067 -7.277) 32.234 14.213 ( 27.407 -5.430 -4.211) 28.255 14.213 ( 27.407 5.430 -4.211) 28.255 15.456 ( -11.921 -1.671 -4.408) 12.819 15.456 ( -11.921 1.671 -4.408) 12.819 16.435 ( 4.275 -2.875 2.089) 5.559 16.435 ( 4.275 2.875 2.089) 5.559 16.657 ( -1.622 -8.360 -1.160) 8.594 16.657 ( -1.622 8.360 -1.160) 8.594 20.126 ( 2.327 -2.487 10.097) 10.656 20.126 ( 2.327 2.487 10.097) 10.656 20.311 ( -2.040 -0.677 6.788) 7.120 20.311 ( -2.040 0.677 6.788) 7.120 ======================= Grid point 339 (120/168) ======================= q-point: ( 0.40 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 7.098 -15.002 -9.729) 19.238 3.975 ( 7.098 15.002 -9.729) 19.238 4.110 ( -6.432 -12.378 -8.754) 16.468 4.110 ( -6.432 12.378 -8.754) 16.468 5.623 ( 15.663 -4.213 13.041) 20.813 5.623 ( 15.663 4.213 13.041) 20.813 5.909 ( -12.621 -10.518 9.023) 18.744 5.909 ( -12.621 10.518 9.023) 18.744 7.090 ( 9.998 -10.970 -13.188) 19.855 7.090 ( 9.998 10.970 -13.188) 19.855 7.366 ( -18.283 -9.907 -12.143) 24.081 7.366 ( -18.283 9.907 -12.143) 24.081 8.912 ( 14.941 -9.864 -7.352) 19.354 8.912 ( 14.941 9.864 -7.352) 19.354 9.177 ( -11.906 -9.826 -10.667) 18.764 9.177 ( -11.906 9.826 -10.667) 18.764 9.546 ( 13.103 -5.387 -12.038) 18.591 9.546 ( 13.103 5.387 -12.038) 18.591 9.750 ( -7.292 -6.602 -15.931) 18.723 9.750 ( -7.292 6.602 -15.931) 18.723 11.946 ( 17.831 -13.553 -1.925) 22.480 11.946 ( 17.831 13.553 -1.925) 22.480 12.386 ( -26.827 -10.903 -5.054) 29.396 12.386 ( -26.827 10.903 -5.054) 29.396 14.719 ( 24.345 -3.974 -5.247) 25.219 14.719 ( 24.345 3.974 -5.247) 25.219 15.147 ( -19.397 -2.688 -5.033) 20.219 15.147 ( -19.397 2.688 -5.033) 20.219 16.528 ( 4.758 -4.661 1.306) 6.787 16.528 ( 4.758 4.661 1.306) 6.787 16.608 ( -3.414 -6.675 0.077) 7.498 16.608 ( -3.414 6.675 0.077) 7.498 20.186 ( 3.609 -2.092 9.061) 9.976 20.186 ( 3.609 2.092 9.061) 9.976 20.256 ( -3.432 -1.409 7.799) 8.637 20.256 ( -3.432 1.409 7.799) 8.637 ======================= Grid point 375 (121/168) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 0.000 0.000 16.000) 16.000 3.743 ( 0.000 0.000 7.836) 7.836 3.788 ( 0.000 0.000 19.221) 19.221 4.049 ( 0.000 0.000 -1.428) 1.428 4.237 ( 0.000 0.000 -7.101) 7.101 4.375 ( 0.000 0.000 18.930) 18.930 4.623 ( 0.000 0.000 -12.811) 12.811 5.133 ( 0.000 0.000 12.208) 12.208 6.226 ( 0.000 0.000 25.303) 25.303 6.960 ( 0.000 0.000 5.570) 5.570 7.374 ( 0.000 0.000 -6.082) 6.082 7.901 ( 0.000 0.000 -18.839) 18.839 8.982 ( 0.000 0.000 16.920) 16.920 9.391 ( 0.000 0.000 27.619) 27.619 9.456 ( 0.000 0.000 31.258) 31.258 9.494 ( 0.000 0.000 5.439) 5.439 9.556 ( 0.000 0.000 34.924) 34.924 10.396 ( 0.000 0.000 18.481) 18.481 10.437 ( 0.000 0.000 -1.584) 1.584 11.428 ( 0.000 0.000 -20.802) 20.802 11.735 ( 0.000 0.000 -25.916) 25.916 11.853 ( 0.000 0.000 -27.302) 27.302 13.242 ( 0.000 0.000 -0.236) 0.236 13.923 ( 0.000 0.000 -21.960) 21.960 14.229 ( 0.000 0.000 26.715) 26.715 14.731 ( 0.000 0.000 20.827) 20.827 15.195 ( 0.000 0.000 18.281) 18.281 15.784 ( 0.000 0.000 -22.207) 22.207 15.990 ( 0.000 0.000 -18.508) 18.508 16.082 ( 0.000 0.000 -8.255) 8.255 16.322 ( 0.000 0.000 -1.081) 1.081 16.892 ( 0.000 0.000 -15.678) 15.678 19.988 ( 0.000 0.000 -4.499) 4.499 19.998 ( 0.000 0.000 -2.908) 2.908 20.967 ( 0.000 0.000 -3.964) 3.964 21.141 ( 0.000 0.000 -7.621) 7.621 ======================= Grid point 376 (122/168) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 1.006 0.000 15.406) 15.439 3.722 ( -1.975 0.000 8.979) 9.193 3.836 ( 4.499 0.000 19.722) 20.229 4.074 ( 2.378 0.000 -2.332) 3.331 4.223 ( -1.387 0.000 -6.746) 6.887 4.268 ( -7.406 0.000 23.954) 25.073 4.848 ( 17.899 0.000 -14.201) 22.848 5.212 ( 7.190 0.000 8.784) 11.351 6.297 ( 6.707 0.000 24.787) 25.678 6.871 ( -8.974 0.000 8.699) 12.498 7.336 ( -1.655 0.000 -7.029) 7.222 7.852 ( -6.289 0.000 -12.625) 14.105 8.983 ( 1.129 0.000 15.037) 15.079 9.282 ( -6.272 0.000 18.154) 19.207 9.465 ( 0.947 0.000 31.588) 31.602 9.546 ( -0.951 0.000 34.551) 34.565 9.643 ( 9.910 0.000 8.815) 13.263 10.164 ( -10.085 0.000 4.741) 11.143 10.793 ( 21.885 0.000 9.634) 23.912 11.464 ( 3.648 0.000 -21.162) 21.474 11.714 ( -2.953 0.000 -20.380) 20.593 11.807 ( -4.516 0.000 -26.309) 26.693 13.191 ( -3.828 0.000 -2.069) 4.352 13.748 ( -15.884 0.000 -18.064) 24.055 14.279 ( 4.908 0.000 25.632) 26.098 14.682 ( -4.830 0.000 20.838) 21.390 15.306 ( 10.202 0.000 11.777) 15.581 15.809 ( 2.412 0.000 -21.539) 21.673 15.974 ( -1.614 0.000 -18.691) 18.761 16.088 ( -5.675 0.000 -13.150) 14.322 16.292 ( 3.592 0.000 3.149) 4.777 16.859 ( -4.031 0.000 -14.126) 14.690 20.007 ( 1.807 0.000 -2.679) 3.231 20.024 ( 2.220 0.000 -3.175) 3.875 20.969 ( 0.374 0.000 -4.450) 4.466 21.114 ( -2.636 0.000 -7.445) 7.898 ======================= Grid point 377 (123/168) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 1.885 0.000 13.745) 13.874 3.677 ( -2.393 0.000 11.374) 11.623 3.952 ( 7.429 0.000 23.771) 24.904 4.112 ( -8.560 0.000 27.535) 28.835 4.130 ( 3.034 0.000 -4.106) 5.105 4.185 ( -2.512 0.000 -5.707) 6.236 5.191 ( 14.548 0.000 -12.611) 19.253 5.325 ( 1.329 0.000 -1.411) 1.938 6.452 ( 8.755 0.000 22.034) 23.710 6.651 ( -11.958 0.000 15.341) 19.451 7.396 ( 8.889 0.000 -4.316) 9.882 7.643 ( -14.054 0.000 -4.245) 14.681 9.049 ( 5.338 0.000 11.771) 12.925 9.165 ( -6.089 0.000 12.827) 14.199 9.490 ( 1.536 0.000 32.471) 32.508 9.521 ( -1.538 0.000 33.601) 33.637 9.831 ( 9.109 0.000 3.733) 9.844 9.995 ( -8.070 0.000 1.817) 8.272 11.228 ( 21.592 0.000 5.864) 22.374 11.563 ( 6.238 0.000 -22.298) 23.154 11.573 ( -12.673 0.000 -6.030) 14.034 11.693 ( -6.758 0.000 -24.199) 25.125 13.184 ( 5.209 0.000 -8.133) 9.658 13.408 ( -16.628 0.000 -13.491) 21.412 14.405 ( 7.658 0.000 23.365) 24.588 14.558 ( -7.595 0.000 21.522) 22.823 15.550 ( 14.360 0.000 1.993) 14.498 15.846 ( -15.482 0.000 -5.943) 16.584 15.868 ( 3.343 0.000 -20.277) 20.551 15.930 ( -2.882 0.000 -19.268) 19.482 16.488 ( 12.908 0.000 -4.425) 13.646 16.721 ( -10.084 0.000 -10.212) 14.352 20.046 ( 1.740 0.000 -1.350) 2.203 20.058 ( 0.747 0.000 -1.857) 2.001 20.991 ( 2.137 0.000 -5.709) 6.095 21.050 ( -3.562 0.000 -6.864) 7.733 ======================= Grid point 380 (124/168) ======================= q-point: ( 0.00 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( 0.000 -8.324 20.387) 22.021 3.713 ( 0.000 -4.315 17.050) 17.587 3.837 ( 0.000 7.264 8.712) 11.343 4.171 ( 0.000 4.279 2.334) 4.874 4.374 ( 0.000 15.097 -5.764) 16.160 4.620 ( 0.000 24.273 15.041) 28.555 4.729 ( 0.000 11.155 -11.946) 16.345 5.330 ( 0.000 17.327 7.326) 18.812 6.349 ( 0.000 11.184 24.328) 26.776 6.915 ( 0.000 -4.467 4.454) 6.308 7.439 ( 0.000 6.151 -4.239) 7.470 7.830 ( 0.000 -6.552 -17.531) 18.715 8.957 ( 0.000 -5.118 16.617) 17.387 8.980 ( 0.000 -22.170 28.879) 36.407 9.282 ( 0.000 -12.831 25.452) 28.503 9.537 ( 0.000 0.735 5.628) 5.676 9.728 ( 0.000 2.603 28.825) 28.942 10.353 ( 0.000 -3.339 16.200) 16.541 10.395 ( 0.000 -3.783 -0.912) 3.891 11.278 ( 0.000 -27.363 -28.481) 39.495 11.462 ( 0.000 2.031 -18.828) 18.937 12.191 ( 0.000 15.999 -23.872) 28.738 13.065 ( 0.000 -16.078 -3.321) 16.418 13.250 ( 0.000 -38.731 -0.158) 38.731 14.404 ( 0.000 -0.656 20.071) 20.081 15.098 ( 0.000 28.522 5.162) 28.985 15.149 ( 0.000 -4.381 13.587) 14.276 15.847 ( 0.000 4.199 -16.009) 16.551 15.984 ( 0.000 0.657 -16.617) 16.630 16.116 ( 0.000 2.928 -6.426) 7.062 16.326 ( 0.000 0.225 -1.711) 1.726 16.931 ( 0.000 3.313 -15.622) 15.969 20.011 ( 0.000 2.087 -3.588) 4.151 20.041 ( 0.000 3.972 -2.725) 4.817 20.941 ( 0.000 -2.489 -3.482) 4.280 21.110 ( 0.000 -2.927 -7.173) 7.748 ======================= Grid point 381 (125/168) ======================= q-point: ( 0.20 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -0.005 -8.555 21.051) 22.723 3.756 ( -1.155 0.913 11.360) 11.455 3.867 ( 5.047 3.100 11.263) 12.726 4.159 ( -1.665 2.165 4.888) 5.599 4.356 ( -0.687 18.438 -3.195) 18.725 4.518 ( -2.153 18.703 13.887) 23.394 5.013 ( 18.827 17.289 -11.163) 27.893 5.380 ( 4.897 15.456 5.878) 17.246 6.388 ( 3.639 8.245 23.457) 25.129 6.833 ( -8.102 -3.971 6.745) 11.265 7.383 ( -3.489 4.793 -5.006) 7.760 7.786 ( -5.691 -6.187 -11.666) 14.379 8.936 ( -0.508 -6.662 15.201) 16.605 8.994 ( 1.062 -18.365 24.549) 30.677 9.367 ( 6.795 -8.782 26.860) 29.064 9.566 ( 2.794 0.244 6.197) 6.802 9.707 ( -1.600 0.645 25.394) 25.453 10.096 ( -11.879 -4.884 5.978) 14.168 10.744 ( 20.412 -4.808 6.209) 21.870 11.292 ( 1.025 -24.713 -25.176) 35.293 11.507 ( 4.678 2.058 -18.297) 18.997 12.128 ( -6.725 15.295 -20.508) 26.452 12.972 ( -7.663 -19.441 -4.252) 21.325 13.175 ( -7.585 -36.355 -2.971) 37.256 14.439 ( 3.353 1.809 19.613) 19.980 14.857 ( -12.214 10.640 14.114) 21.485 15.358 ( 9.695 7.597 2.088) 12.493 15.869 ( -2.068 -0.597 -13.867) 14.033 15.940 ( 0.207 5.870 -17.082) 18.064 16.199 ( 3.644 6.264 -11.569) 13.651 16.299 ( 1.630 0.771 2.595) 3.160 16.888 ( -4.690 2.704 -14.304) 15.295 20.035 ( 2.079 2.229 -2.670) 4.052 20.057 ( 1.489 3.367 -2.245) 4.312 20.943 ( 0.379 -2.474 -3.947) 4.674 21.084 ( -2.589 -2.878 -6.951) 7.956 ======================= Grid point 382 (126/168) ======================= q-point: ( 0.40 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( 4.893 -6.025 18.477) 20.041 3.655 ( -7.097 -0.676 13.190) 14.994 3.993 ( 6.513 1.532 10.325) 12.303 4.100 ( -4.325 1.255 7.756) 8.969 4.394 ( 4.107 21.364 4.360) 22.188 4.477 ( -3.455 21.883 11.681) 25.045 5.352 ( 13.621 16.161 -10.961) 23.808 5.468 ( 1.507 13.953 -1.117) 14.078 6.476 ( 5.682 2.162 19.780) 20.693 6.636 ( -10.609 -1.636 12.309) 16.332 7.399 ( 6.394 0.676 -2.940) 7.070 7.600 ( -12.112 -3.893 -3.846) 13.291 8.962 ( 2.518 -8.663 13.696) 16.401 9.000 ( -0.870 -13.085 17.440) 21.820 9.491 ( 5.608 -0.078 27.779) 28.339 9.581 ( -2.990 4.132 23.930) 24.467 9.738 ( 6.256 -8.739 4.630) 11.702 9.896 ( -9.202 -8.034 2.708) 12.512 11.112 ( 15.328 -9.554 -2.118) 18.186 11.285 ( -3.130 -17.959 -16.295) 24.451 11.654 ( 11.076 4.873 -14.521) 18.902 11.921 ( -14.165 11.272 -12.850) 22.200 12.876 ( 0.201 -25.167 -8.190) 26.467 12.989 ( -9.804 -30.850 -7.798) 33.296 14.526 ( 5.662 4.802 18.927) 20.332 14.660 ( -8.272 6.508 17.437) 20.367 15.530 ( 9.035 0.966 -6.544) 11.197 15.719 ( -9.980 -3.942 -12.853) 16.744 16.030 ( 5.868 12.010 -11.450) 17.600 16.140 ( -5.363 11.442 -9.365) 15.728 16.497 ( 13.478 0.950 -5.084) 14.436 16.740 ( -10.560 1.861 -10.688) 15.139 20.074 ( 1.552 2.417 -1.221) 3.121 20.083 ( 0.667 2.456 -1.306) 2.861 20.965 ( 2.065 -2.533 -5.147) 6.097 21.021 ( -3.464 -2.722 -6.297) 7.685 ======================= Grid point 385 (127/168) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 0.000 -13.072 25.735) 28.865 3.628 ( 0.000 -4.131 13.876) 14.478 3.962 ( 0.000 4.947 9.154) 10.405 4.262 ( 0.000 5.704 3.739) 6.820 4.721 ( 0.000 17.132 2.747) 17.351 5.082 ( 0.000 20.236 -6.287) 21.190 5.321 ( 0.000 40.048 6.617) 40.591 5.785 ( 0.000 26.422 2.139) 26.509 6.600 ( 0.000 9.224 15.679) 18.191 6.769 ( 0.000 -9.723 2.168) 9.962 7.608 ( 0.000 9.284 -1.883) 9.473 7.675 ( 0.000 -6.534 -14.238) 15.666 8.487 ( 0.000 -19.669 23.428) 30.590 8.889 ( 0.000 -6.122 16.477) 17.578 8.959 ( 0.000 -17.413 19.420) 26.084 9.522 ( 0.000 -2.290 -2.626) 3.484 9.646 ( 0.000 -6.648 22.090) 23.069 10.269 ( 0.000 -5.496 10.981) 12.280 10.300 ( 0.000 -5.211 -1.403) 5.397 10.672 ( 0.000 -29.832 -25.513) 39.254 11.381 ( 0.000 -14.333 -11.626) 18.455 12.425 ( 0.000 -0.072 -25.726) 25.727 12.628 ( 0.000 -16.059 2.736) 16.290 12.687 ( 0.000 -11.989 -5.405) 13.151 14.333 ( 0.000 -4.592 18.969) 19.517 15.010 ( 0.000 -9.314 5.222) 10.678 15.627 ( 0.000 20.410 -3.064) 20.638 15.872 ( 0.000 -1.029 -6.767) 6.845 16.074 ( 0.000 6.762 -11.241) 13.119 16.183 ( 0.000 3.040 -0.773) 3.137 16.328 ( 0.000 0.249 -2.937) 2.948 17.005 ( 0.000 3.279 -14.860) 15.218 20.067 ( 0.000 3.168 -1.267) 3.412 20.145 ( 0.000 5.596 -1.952) 5.926 20.869 ( 0.000 -4.315 -2.284) 4.882 21.022 ( 0.000 -5.544 -5.883) 8.084 ======================= Grid point 386 (128/168) ======================= q-point: ( 0.20 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 3.323 -9.738 24.739) 26.794 3.690 ( 3.183 -5.499 12.384) 13.919 3.951 ( -0.371 4.222 9.574) 10.470 4.233 ( -2.991 5.597 4.195) 7.607 4.785 ( 5.299 19.918 4.311) 21.057 4.966 ( -4.045 22.901 4.275) 23.645 5.565 ( 16.838 33.420 -3.477) 37.584 5.807 ( 2.611 25.368 2.359) 25.611 6.563 ( -3.508 4.447 14.869) 15.912 6.712 ( -5.148 -5.816 1.941) 8.006 7.538 ( -5.634 9.790 -2.815) 11.640 7.631 ( -5.013 -7.171 -8.248) 12.024 8.550 ( 5.655 -18.903 19.129) 27.481 8.804 ( -3.714 -10.066 17.230) 20.298 9.135 ( 12.411 -14.130 17.785) 25.884 9.534 ( 0.949 -3.755 -2.302) 4.506 9.634 ( -0.852 -3.949 18.391) 18.829 10.042 ( -11.675 0.165 12.552) 17.143 10.576 ( 15.668 -14.208 -6.642) 22.169 10.741 ( 6.606 -25.019 -19.124) 32.176 11.413 ( 3.738 -15.763 -9.414) 18.737 12.384 ( -8.598 7.819 -14.751) 18.779 12.462 ( -11.297 -26.350 -9.869) 30.321 12.626 ( -5.497 -10.920 -4.141) 12.908 14.406 ( 6.554 -3.145 16.852) 18.353 14.893 ( -9.646 -5.254 7.266) 13.170 15.600 ( -1.702 11.315 -5.495) 12.694 15.839 ( -5.801 -0.685 -8.879) 10.628 16.142 ( 7.127 10.494 -7.317) 14.644 16.279 ( 9.430 1.176 0.010) 9.503 16.338 ( 0.867 3.466 -5.460) 6.525 16.956 ( -5.176 3.346 -14.096) 15.385 20.091 ( 2.132 3.068 -0.869) 3.836 20.150 ( 0.426 5.112 -1.362) 5.307 20.871 ( 0.379 -4.300 -2.677) 5.079 20.997 ( -2.370 -5.375 -5.562) 8.089 ======================= Grid point 387 (129/168) ======================= q-point: ( 0.40 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 9.145 -5.378 20.851) 23.395 3.623 ( -9.249 -3.636 14.987) 17.983 4.019 ( 6.680 2.408 8.072) 10.751 4.147 ( -5.779 4.022 5.211) 8.759 4.880 ( 4.588 22.590 6.999) 24.091 4.945 ( -1.191 21.311 9.960) 23.554 5.841 ( 9.333 27.510 -5.891) 29.641 5.885 ( 3.812 26.345 -0.778) 26.631 6.506 ( -0.292 -1.476 10.593) 10.700 6.589 ( -7.006 -1.225 2.801) 7.644 7.456 ( -1.333 5.543 -0.554) 5.728 7.509 ( -6.040 -3.629 -1.871) 7.290 8.666 ( 5.430 -16.411 14.899) 22.821 8.746 ( -2.989 -12.913 15.582) 20.457 9.380 ( 11.233 -14.573 13.637) 22.903 9.523 ( -3.462 -10.701 4.778) 12.220 9.656 ( 4.724 4.210 11.043) 12.727 9.820 ( -10.964 4.184 14.446) 18.612 10.828 ( 8.593 -22.284 -16.842) 29.224 10.875 ( 4.239 -17.681 -12.365) 21.989 11.576 ( 14.840 -16.783 -1.553) 22.457 11.981 ( -24.387 -12.663 1.542) 27.522 12.418 ( 1.504 -9.584 -20.171) 22.382 12.499 ( -6.415 -9.620 -12.344) 16.914 14.549 ( 7.743 -1.295 13.745) 15.829 14.707 ( -8.827 -1.747 10.728) 14.002 15.601 ( 2.457 4.086 -7.656) 9.019 15.698 ( -7.114 0.602 -9.466) 11.857 16.258 ( 4.516 8.380 -3.206) 10.044 16.320 ( -1.842 5.277 -2.751) 6.230 16.544 ( 14.705 4.272 -8.391) 17.462 16.800 ( -10.917 3.791 -11.798) 16.515 20.134 ( 1.865 3.219 -0.200) 3.725 20.154 ( -0.249 4.028 -0.346) 4.050 20.891 ( 1.817 -4.456 -3.683) 6.060 20.941 ( -3.088 -4.922 -4.763) 7.514 ======================= Grid point 390 (130/168) ======================= q-point: ( 0.00 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 0.000 -14.852 25.218) 29.267 3.541 ( 0.000 -4.078 9.373) 10.222 4.074 ( 0.000 5.962 10.757) 12.299 4.421 ( 0.000 9.684 4.657) 10.746 5.050 ( 0.000 14.015 8.067) 16.171 5.421 ( 0.000 10.839 1.406) 10.930 6.104 ( 0.000 25.546 -0.485) 25.551 6.398 ( 0.000 25.735 4.090) 26.058 6.568 ( 0.000 -1.450 4.460) 4.690 6.646 ( 0.000 2.938 -2.069) 3.594 7.541 ( 0.000 -10.315 -17.143) 20.007 7.744 ( 0.000 0.731 -6.050) 6.094 8.290 ( 0.000 2.022 18.902) 19.010 8.645 ( 0.000 -9.662 9.534) 13.574 8.656 ( 0.000 -15.116 16.102) 22.086 9.429 ( 0.000 -6.828 -6.012) 9.098 9.618 ( 0.000 4.266 16.173) 16.727 9.923 ( 0.000 -31.242 -27.144) 41.387 10.099 ( 0.000 -11.154 5.045) 12.241 10.376 ( 0.000 2.319 4.490) 5.053 10.895 ( 0.000 -26.085 -0.812) 26.097 12.046 ( 0.000 -23.487 -25.635) 34.768 12.603 ( 0.000 9.086 -1.890) 9.281 12.782 ( 0.000 9.653 -9.702) 13.686 14.227 ( 0.000 -5.936 14.006) 15.212 14.763 ( 0.000 -14.247 -0.626) 14.261 15.836 ( 0.000 -2.596 -2.801) 3.819 15.886 ( 0.000 3.952 -8.254) 9.152 16.210 ( 0.000 5.966 -4.355) 7.386 16.237 ( 0.000 2.774 7.045) 7.572 16.367 ( 0.000 3.752 -3.262) 4.972 17.046 ( 0.000 0.311 -13.042) 13.045 20.132 ( 0.000 2.846 1.572) 3.252 20.255 ( 0.000 4.691 -0.341) 4.703 20.769 ( 0.000 -5.227 -0.858) 5.297 20.886 ( 0.000 -7.495 -3.984) 8.488 ======================= Grid point 391 (131/168) ======================= q-point: ( 0.20 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 7.937 -12.999 24.066) 28.481 3.574 ( 1.342 -5.325 10.382) 11.745 4.060 ( -0.077 6.543 10.967) 12.771 4.396 ( -2.949 9.974 4.184) 11.211 5.136 ( 7.245 13.776 9.314) 18.139 5.348 ( -4.967 12.394 3.829) 13.890 6.107 ( -0.986 4.659 -1.046) 4.876 6.444 ( 6.289 34.868 0.672) 35.437 6.541 ( -3.254 5.054 2.001) 6.335 6.675 ( 1.542 3.134 -3.737) 5.115 7.510 ( -2.724 -6.282 -8.788) 11.141 7.719 ( -2.505 3.988 -6.322) 7.883 8.294 ( 1.256 -3.672 16.125) 16.585 8.571 ( -4.024 -10.745 11.482) 16.232 8.804 ( 10.631 -14.488 11.339) 21.248 9.397 ( -4.081 -9.404 -4.279) 11.109 9.641 ( 3.169 1.526 10.796) 11.355 10.016 ( 5.193 -21.950 -11.263) 25.212 10.091 ( 3.271 -6.233 0.487) 7.056 10.459 ( 6.384 -7.324 -3.035) 10.179 10.916 ( 3.293 -24.851 1.873) 25.138 11.940 ( -12.365 -23.208 -19.578) 32.784 12.490 ( -8.333 6.917 -6.844) 12.811 12.693 ( -7.946 8.680 -11.017) 16.120 14.334 ( 9.301 -3.830 11.508) 15.284 14.719 ( -3.826 -10.521 1.408) 11.284 15.727 ( -7.023 0.923 -3.478) 7.892 15.823 ( -6.814 -1.903 -6.979) 9.938 16.284 ( 4.103 1.747 6.859) 8.181 16.312 ( 6.641 3.810 -3.731) 8.517 16.441 ( 8.021 6.243 -5.671) 11.639 17.004 ( -4.388 0.834 -12.585) 13.354 20.153 ( 1.995 2.732 1.615) 3.748 20.251 ( -0.423 4.342 0.067) 4.363 20.771 ( 0.327 -5.253 -1.113) 5.379 20.866 ( -1.856 -7.167 -3.572) 8.220 ======================= Grid point 392 (132/168) ======================= q-point: ( 0.40 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 12.633 -9.672 20.704) 26.111 3.498 ( -9.498 -7.407 15.447) 19.588 4.134 ( 7.601 8.553 8.221) 14.090 4.294 ( -7.441 10.013 4.981) 13.432 5.242 ( 3.262 11.695 9.327) 15.311 5.293 ( -1.713 11.429 9.601) 15.024 6.160 ( 8.676 -3.491 -4.225) 10.262 6.388 ( -11.670 2.532 -2.711) 12.246 6.596 ( 6.700 26.715 -3.970) 27.827 6.679 ( -1.725 15.153 -4.488) 15.898 7.504 ( 3.504 3.570 0.020) 5.002 7.624 ( -7.036 8.813 -1.629) 11.394 8.363 ( 5.514 -11.513 11.146) 16.947 8.477 ( -5.662 -12.014 10.066) 16.665 9.033 ( 12.110 -15.545 5.974) 20.591 9.253 ( -10.100 -14.324 0.391) 17.531 9.773 ( 9.425 3.002 8.396) 12.974 9.948 ( -7.497 1.869 10.086) 12.705 10.322 ( 13.396 -19.025 -11.487) 25.949 10.504 ( -3.875 -17.551 -10.748) 20.942 11.109 ( 17.967 -20.950 3.133) 27.777 11.554 ( -24.798 -20.503 -5.495) 32.643 12.414 ( 1.318 3.556 -16.182) 16.621 12.520 ( -8.530 5.271 -15.679) 18.611 14.515 ( 8.122 -1.569 8.204) 11.651 14.637 ( -4.773 -4.082 5.169) 8.134 15.637 ( -1.345 -1.315 -4.060) 4.475 15.685 ( -5.850 -2.929 -5.866) 8.787 16.357 ( 2.897 2.080 3.293) 4.854 16.381 ( 0.767 1.823 -0.166) 1.985 16.659 ( 12.371 5.358 -9.081) 16.255 16.873 ( -9.123 2.530 -11.193) 14.660 20.198 ( 2.346 2.810 1.515) 3.962 20.235 ( -1.340 3.501 0.927) 3.862 20.786 ( 1.338 -5.563 -1.782) 5.992 20.823 ( -2.318 -6.348 -2.674) 7.268 ======================= Grid point 395 (133/168) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 0.000 -5.150 15.932) 16.744 3.473 ( 0.000 -2.101 3.130) 3.769 4.185 ( 0.000 3.897 11.495) 12.138 4.653 ( 0.000 11.951 4.168) 12.657 5.288 ( 0.000 8.924 12.721) 15.539 5.531 ( 0.000 0.816 6.010) 6.065 5.970 ( 0.000 -20.061 -6.818) 21.188 6.427 ( 0.000 -3.434 -5.363) 6.368 7.073 ( 0.000 31.946 9.190) 33.241 7.159 ( 0.000 5.824 -6.774) 8.933 7.297 ( 0.000 11.151 -11.912) 16.317 7.563 ( 0.000 -16.047 -15.787) 22.511 8.218 ( 0.000 -13.181 9.864) 16.463 8.601 ( 0.000 12.495 9.225) 15.531 8.640 ( 0.000 6.887 2.057) 7.188 9.201 ( 0.000 -21.072 -15.414) 26.108 9.358 ( 0.000 -14.546 -14.973) 20.875 9.583 ( 0.000 -14.664 17.063) 22.498 9.831 ( 0.000 -13.658 -10.582) 17.278 10.448 ( 0.000 -0.059 2.187) 2.188 10.633 ( 0.000 6.661 10.794) 12.684 11.654 ( 0.000 -11.388 -26.118) 28.492 12.862 ( 0.000 14.138 -4.354) 14.793 12.969 ( 0.000 8.007 -7.707) 11.114 14.076 ( 0.000 -8.721 8.507) 12.183 14.441 ( 0.000 -16.219 -2.562) 16.420 15.756 ( 0.000 -5.167 -2.601) 5.785 15.838 ( 0.000 -6.474 -7.268) 9.733 16.307 ( 0.000 3.740 6.388) 7.402 16.316 ( 0.000 4.252 0.306) 4.263 16.452 ( 0.000 3.600 -0.385) 3.621 17.013 ( 0.000 -3.390 -10.448) 10.984 20.178 ( 0.000 1.585 4.084) 4.381 20.331 ( 0.000 2.683 1.874) 3.273 20.659 ( 0.000 -5.264 0.506) 5.288 20.719 ( 0.000 -8.461 -1.905) 8.673 ======================= Grid point 396 (134/168) ======================= q-point: ( 0.20 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 9.798 -5.032 16.053) 19.468 3.486 ( -0.745 -2.684 6.081) 6.688 4.195 ( 2.602 5.315 9.866) 11.504 4.630 ( -2.686 11.793 4.034) 12.750 5.346 ( 3.500 6.128 12.439) 14.302 5.491 ( -2.673 2.954 4.695) 6.158 5.882 ( -4.814 -15.720 -8.941) 18.715 6.432 ( -2.488 -7.485 -5.568) 9.655 7.016 ( -3.219 11.248 -1.381) 11.781 7.198 ( -0.454 30.070 -1.875) 30.132 7.362 ( 9.587 0.475 -5.190) 10.912 7.633 ( 5.654 -10.032 -11.361) 16.177 8.215 ( -0.288 -9.709 8.614) 12.983 8.491 ( -7.654 6.130 3.390) 10.376 8.729 ( 5.223 6.612 4.588) 9.594 9.120 ( -7.039 -18.123 -12.445) 23.084 9.426 ( 7.340 -13.701 -10.736) 18.890 9.651 ( 5.119 -16.751 12.235) 21.365 9.939 ( 9.986 -12.608 -10.865) 19.409 10.413 ( -3.435 -0.761 2.674) 4.420 10.691 ( 6.403 6.455 9.571) 13.201 11.585 ( -8.092 -8.398 -22.661) 25.486 12.650 ( -15.020 7.063 -3.942) 17.059 12.866 ( -11.320 7.578 -10.180) 17.006 14.236 ( 13.489 -5.911 5.866) 15.852 14.498 ( 4.850 -9.939 -1.155) 11.119 15.669 ( -7.516 -5.892 -2.143) 9.788 15.732 ( -9.067 -6.544 -6.224) 12.797 16.332 ( 3.049 3.217 7.107) 8.376 16.371 ( 3.407 2.184 0.096) 4.048 16.548 ( 8.487 3.371 -3.100) 9.643 16.983 ( -3.199 -2.858 -10.023) 10.903 20.198 ( 1.875 1.526 3.873) 4.565 20.322 ( -0.981 2.491 1.995) 3.339 20.660 ( 0.128 -5.399 0.441) 5.418 20.708 ( -1.059 -8.020 -1.418) 8.213 ======================= Grid point 397 (135/168) ======================= q-point: ( 0.40 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 14.753 -4.650 15.575) 21.951 3.369 ( -11.381 -3.951 12.549) 17.396 4.330 ( 10.520 8.750 5.645) 14.802 4.528 ( -8.219 11.206 4.075) 14.482 5.364 ( 0.594 0.959 6.474) 6.572 5.423 ( -4.895 1.822 5.522) 7.601 5.962 ( 12.995 -9.441 -8.398) 18.125 6.257 ( -14.455 -8.531 -7.408) 18.346 7.030 ( 4.268 10.416 -2.275) 11.484 7.132 ( -5.180 18.532 -4.233) 19.703 7.594 ( 11.102 3.865 0.699) 11.777 7.709 ( 0.092 -2.546 -3.615) 4.422 8.223 ( 2.175 -3.045 5.438) 6.601 8.328 ( -8.145 0.771 2.600) 8.585 8.836 ( 6.085 -2.935 -2.041) 7.058 8.971 ( -7.700 -11.788 -8.326) 16.357 9.606 ( 9.038 -13.778 -3.130) 16.772 9.707 ( -0.698 -16.911 4.938) 17.631 10.154 ( 10.475 -9.812 -6.258) 15.658 10.317 ( -6.495 -4.241 0.811) 7.799 10.912 ( 16.965 5.077 3.509) 18.053 11.303 ( -20.185 -0.587 -9.773) 22.434 12.475 ( -0.557 1.547 -10.010) 10.144 12.610 ( -12.459 2.639 -12.717) 17.998 14.486 ( 10.021 -1.392 2.834) 10.507 14.572 ( 1.052 -1.495 1.048) 2.107 15.539 ( -3.978 -8.210 -2.492) 9.458 15.564 ( -6.397 -8.245 -4.266) 11.273 16.394 ( 2.590 2.055 5.107) 6.084 16.414 ( 0.680 1.575 2.144) 2.746 16.729 ( 9.299 1.222 -6.525) 11.425 16.887 ( -6.673 -1.245 -8.729) 11.058 20.244 ( 2.669 1.575 3.250) 4.491 20.292 ( -2.109 1.992 2.473) 3.812 20.666 ( 0.606 -5.930 0.179) 5.963 20.684 ( -1.190 -6.952 -0.470) 7.068 ======================= Grid point 400 (136/168) ======================= q-point: ( 0.00 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 0.000 11.383 2.081) 11.572 3.467 ( 0.000 1.694 -5.019) 5.297 4.207 ( 0.000 -1.988 5.532) 5.878 4.800 ( 0.000 -3.526 -0.350) 3.544 5.397 ( 0.000 1.348 11.003) 11.085 5.519 ( 0.000 -0.671 7.203) 7.235 5.669 ( 0.000 -1.635 0.950) 1.891 6.411 ( 0.000 -0.002 -9.588) 9.588 6.874 ( 0.000 -13.033 -10.493) 16.732 7.185 ( 0.000 -17.360 -21.240) 27.432 7.646 ( 0.000 21.230 9.255) 23.160 7.871 ( 0.000 22.862 -0.548) 22.868 8.018 ( 0.000 -2.699 0.495) 2.744 8.675 ( 0.000 -15.281 -9.639) 18.067 8.856 ( 0.000 2.675 -14.534) 14.778 8.889 ( 0.000 13.524 2.657) 13.782 9.159 ( 0.000 -20.360 13.697) 24.538 9.227 ( 0.000 -2.374 -6.385) 6.812 9.527 ( 0.000 -14.918 -19.703) 24.714 10.253 ( 0.000 -17.944 -12.012) 21.593 11.018 ( 0.000 24.156 14.884) 28.373 11.632 ( 0.000 6.877 -12.289) 14.082 13.097 ( 0.000 4.104 -6.046) 7.307 13.135 ( 0.000 11.055 -7.194) 13.189 13.881 ( 0.000 -9.135 5.625) 10.728 14.130 ( 0.000 -12.966 -2.090) 13.134 15.631 ( 0.000 -6.542 -3.958) 7.646 15.678 ( 0.000 -8.151 -6.179) 10.228 16.384 ( 0.000 3.516 3.883) 5.238 16.386 ( 0.000 2.541 2.513) 3.574 16.504 ( 0.000 1.779 2.083) 2.739 16.914 ( 0.000 -5.915 -7.386) 9.463 20.200 ( 0.000 0.671 5.679) 5.718 20.368 ( 0.000 0.921 4.332) 4.429 20.545 ( 0.000 -8.008 -0.261) 8.013 20.556 ( 0.000 -4.535 1.785) 4.874 ======================= Grid point 401 (137/168) ======================= q-point: ( 0.20 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 8.599 10.213 3.406) 13.778 3.480 ( -0.740 2.340 -0.922) 2.621 4.232 ( 4.086 -2.482 1.579) 5.035 4.765 ( -3.881 -4.293 -0.281) 5.794 5.392 ( -0.860 2.304 5.423) 5.954 5.534 ( 0.101 1.394 4.435) 4.650 5.686 ( 3.511 0.550 1.653) 3.920 6.341 ( -7.096 -1.889 -6.740) 9.968 6.880 ( 2.868 -11.193 -7.486) 13.767 7.274 ( 6.279 -15.495 -15.613) 22.875 7.607 ( -3.506 9.767 5.723) 11.851 7.743 ( -10.728 11.675 0.453) 15.862 8.104 ( 7.645 3.311 -0.841) 8.373 8.636 ( -6.389 3.582 -0.936) 7.385 8.737 ( -1.870 -7.169 -17.812) 19.292 8.963 ( -1.369 6.602 -6.424) 9.312 9.241 ( 10.547 -6.832 1.459) 12.651 9.327 ( 7.569 -8.236 5.313) 12.383 9.644 ( 10.559 -14.278 -15.874) 23.819 10.206 ( -4.697 -17.739 -11.425) 21.616 11.064 ( 5.121 23.550 13.291) 27.522 11.623 ( -1.615 9.153 -11.248) 14.591 12.751 ( -22.012 2.639 -1.035) 22.194 12.978 ( -18.299 2.268 -9.499) 20.742 14.112 ( 19.205 -4.683 2.676) 19.948 14.333 ( 15.551 -6.043 -3.070) 16.965 15.514 ( -10.318 -8.037 -3.538) 13.549 15.578 ( -9.498 -7.889 -5.444) 13.494 16.409 ( 2.058 3.985 5.557) 7.141 16.411 ( 2.362 1.778 2.380) 3.795 16.580 ( 6.480 0.063 -0.750) 6.524 16.893 ( -2.193 -5.513 -6.927) 9.121 20.218 ( 1.849 0.673 5.356) 5.706 20.357 ( -1.195 0.981 3.988) 4.277 20.541 ( -0.271 -7.451 0.777) 7.496 20.555 ( -0.215 -5.007 1.552) 5.247 ======================= Grid point 402 (138/168) ======================= q-point: ( 0.40 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 13.255 7.429 5.636) 16.207 3.369 ( -10.518 4.396 5.297) 12.571 4.402 ( 12.364 -3.938 -3.780) 13.516 4.634 ( -9.922 -5.129 -2.247) 11.394 5.390 ( 1.471 6.104 -0.364) 6.289 5.461 ( -5.397 5.435 -2.297) 7.996 5.868 ( 13.373 -0.165 3.245) 13.762 6.139 ( -13.258 -2.561 -1.124) 13.550 7.031 ( 12.063 -6.958 -2.214) 14.101 7.277 ( -9.611 -3.326 -5.053) 11.356 7.538 ( 0.459 -11.983 -0.453) 12.000 7.597 ( -4.070 -5.361 -0.108) 6.732 8.276 ( 9.511 7.682 -3.814) 12.808 8.464 ( -9.701 8.655 -4.236) 13.673 8.780 ( 4.684 -2.393 -14.120) 15.068 8.885 ( -5.484 3.069 -11.381) 13.000 9.438 ( 6.730 -2.200 1.455) 7.229 9.457 ( 4.237 -6.212 5.101) 9.086 9.873 ( 11.762 -14.890 -10.929) 21.897 10.075 ( -8.746 -16.796 -10.236) 21.526 11.238 ( 12.971 21.466 7.487) 26.174 11.508 ( -11.598 16.519 -3.480) 20.482 12.463 ( -3.733 -2.870 -3.857) 6.086 12.610 ( -16.215 -2.797 -8.684) 18.605 14.473 ( 15.213 0.813 -0.923) 15.263 14.578 ( 6.115 1.723 -3.115) 7.076 15.320 ( -6.291 -11.709 -3.135) 13.657 15.370 ( -9.722 -10.227 -4.078) 14.688 16.447 ( 1.392 3.000 5.016) 6.008 16.450 ( 1.120 1.950 3.531) 4.186 16.714 ( 6.728 -2.350 -3.651) 8.007 16.827 ( -4.683 -4.303 -5.632) 8.495 20.266 ( 2.850 0.721 4.534) 5.403 20.320 ( -2.504 0.886 3.829) 4.660 20.540 ( 0.222 -6.551 1.758) 6.786 20.548 ( -0.463 -5.624 1.776) 5.916 ======================= Grid point 405 (139/168) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 0.000 20.678 -6.508) 21.678 3.538 ( 0.000 4.452 -12.462) 13.234 4.115 ( 0.000 -5.934 -5.561) 8.132 4.457 ( 0.000 -23.460 -4.978) 23.982 5.465 ( 0.000 4.204 8.682) 9.647 5.521 ( 0.000 0.616 9.775) 9.795 5.856 ( 0.000 14.736 7.139) 16.375 6.335 ( 0.000 -7.196 -8.965) 11.496 6.732 ( 0.000 -1.977 -4.917) 5.299 6.875 ( 0.000 -11.752 -18.278) 21.730 7.947 ( 0.000 7.415 1.715) 7.611 7.961 ( 0.000 0.828 -5.973) 6.030 8.280 ( 0.000 11.028 2.561) 11.322 8.410 ( 0.000 -6.900 -5.650) 8.918 8.870 ( 0.000 -4.758 5.169) 7.025 8.939 ( 0.000 2.584 -11.665) 11.948 9.144 ( 0.000 8.060 -6.361) 10.268 9.196 ( 0.000 -2.128 -8.802) 9.056 9.278 ( 0.000 -5.604 -19.484) 20.274 9.817 ( 0.000 -21.621 -18.112) 28.205 11.485 ( 0.000 19.241 12.585) 22.992 11.785 ( 0.000 4.992 -0.107) 4.993 13.143 ( 0.000 1.175 -6.601) 6.705 13.257 ( 0.000 -0.212 -10.395) 10.397 13.766 ( 0.000 -0.593 5.413) 5.445 13.928 ( 0.000 -6.691 -0.236) 6.696 15.510 ( 0.000 -4.490 -5.454) 7.064 15.530 ( 0.000 -5.561 -6.273) 8.383 16.423 ( 0.000 1.193 2.993) 3.222 16.436 ( 0.000 1.133 1.772) 2.103 16.553 ( 0.000 3.598 2.800) 4.559 16.782 ( 0.000 -6.558 -4.016) 7.690 20.218 ( 0.000 1.384 6.158) 6.312 20.357 ( 0.000 -3.413 7.097) 7.875 20.419 ( 0.000 -2.286 0.115) 2.289 20.475 ( 0.000 -3.216 2.832) 4.285 ======================= Grid point 406 (140/168) ======================= q-point: ( 0.20 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 6.196 19.848 -5.539) 21.518 3.578 ( 2.275 6.355 -9.213) 11.421 4.104 ( 0.204 -8.554 -8.382) 11.978 4.428 ( -3.183 -22.838 -6.314) 23.907 5.528 ( 5.611 6.912 6.211) 10.856 5.587 ( 6.218 3.289 8.095) 10.724 5.840 ( -0.894 12.710 6.624) 14.360 6.284 ( -5.579 -4.967 -5.930) 9.537 6.734 ( 2.457 -2.579 -6.262) 7.204 6.958 ( 7.099 -13.559 -12.863) 19.992 7.666 ( -19.445 -0.975 4.352) 19.949 7.785 ( -19.704 -3.566 -3.513) 20.330 8.296 ( 7.058 10.554 -4.458) 13.457 8.586 ( 9.641 -3.069 -10.947) 14.907 8.782 ( -6.349 6.378 -8.953) 12.694 9.056 ( 1.285 4.578 -10.037) 11.106 9.189 ( 7.241 -4.970 -5.992) 10.632 9.280 ( 11.436 1.929 -0.004) 11.597 9.407 ( 9.664 -6.069 -11.628) 16.292 9.806 ( -1.385 -18.344 -15.898) 24.314 11.523 ( 4.321 19.120 11.130) 22.542 11.811 ( 2.750 6.183 -1.091) 6.854 12.779 ( -25.987 1.095 -1.162) 26.036 12.946 ( -24.296 -4.669 -7.330) 25.804 14.083 ( 23.637 1.682 0.314) 23.699 14.232 ( 22.086 -4.175 -3.501) 22.748 15.376 ( -12.257 -4.567 -5.016) 14.009 15.426 ( -10.559 -6.245 -6.019) 13.665 16.446 ( 2.520 1.686 2.948) 4.229 16.483 ( 3.104 2.356 2.456) 4.606 16.575 ( 2.459 0.719 1.537) 2.987 16.768 ( -1.462 -6.256 -3.570) 7.350 20.236 ( 1.837 1.351 5.844) 6.273 20.362 ( 0.095 -1.628 6.698) 6.894 20.409 ( -0.691 -3.629 0.737) 3.767 20.468 ( -0.813 -3.510 2.952) 4.658 ======================= Grid point 407 (141/168) ======================= q-point: ( 0.40 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 9.166 17.088 -3.710) 19.743 3.547 ( -5.936 12.353 -3.725) 14.203 4.177 ( 7.151 -15.784 -12.228) 21.208 4.327 ( -7.071 -20.705 -9.776) 23.964 5.634 ( 4.491 12.890 1.947) 13.788 5.682 ( 0.619 14.846 1.062) 14.897 5.898 ( 9.032 1.969 7.793) 12.091 6.117 ( -11.149 -1.157 1.084) 11.261 6.882 ( 13.044 -4.955 -1.985) 14.094 7.112 ( 4.845 -10.613 -7.513) 13.876 7.273 ( -15.029 -10.407 3.195) 18.558 7.423 ( -16.197 -10.380 -3.768) 19.603 8.457 ( 8.749 9.501 -11.495) 17.290 8.622 ( -7.776 7.847 -15.762) 19.248 8.789 ( 9.236 0.029 -10.468) 13.960 8.962 ( -7.850 1.128 -14.307) 16.357 9.385 ( 9.088 -1.117 -1.425) 9.266 9.462 ( 2.762 3.202 -0.759) 4.296 9.603 ( 10.245 -10.704 -5.317) 15.742 9.750 ( -4.735 -12.380 -9.713) 16.433 11.674 ( 11.294 19.141 6.632) 23.193 11.855 ( -1.958 14.703 -0.898) 14.860 12.365 ( -10.366 -5.812 0.629) 11.901 12.499 ( -19.036 -7.596 -4.559) 20.997 14.527 ( 20.105 4.170 -3.173) 20.777 14.624 ( 14.699 1.982 -5.266) 15.740 15.101 ( -12.650 -8.321 -4.098) 15.686 15.163 ( -14.575 -9.043 -5.298) 17.952 16.497 ( 2.151 2.650 3.211) 4.686 16.517 ( 0.248 3.806 3.371) 5.090 16.647 ( 4.338 -3.751 -0.873) 5.801 16.723 ( -3.224 -5.389 -2.414) 6.728 20.284 ( 2.847 1.244 5.062) 5.939 20.338 ( -2.436 1.036 4.654) 5.354 20.416 ( 1.315 -5.234 3.239) 6.294 20.445 ( -1.462 -4.274 3.319) 5.605 ======================= Grid point 410 (142/168) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 0.000 -9.691 -12.274) 15.639 3.539 ( 0.000 9.691 -12.274) 15.639 4.074 ( 0.000 -7.520 -7.859) 10.877 4.074 ( 0.000 7.520 -7.859) 10.877 5.521 ( 0.000 -1.129 10.499) 10.560 5.521 ( 0.000 1.129 10.499) 10.560 6.147 ( 0.000 -11.641 -0.761) 11.666 6.147 ( 0.000 11.641 -0.761) 11.666 6.728 ( 0.000 -2.385 -9.560) 9.853 6.728 ( 0.000 2.385 -9.560) 9.853 7.986 ( 0.000 -1.195 -5.816) 5.938 7.986 ( 0.000 1.195 -5.816) 5.938 8.372 ( 0.000 -0.148 2.589) 2.593 8.372 ( 0.000 0.148 2.589) 2.593 8.920 ( 0.000 -5.163 -3.592) 6.290 8.920 ( 0.000 5.163 -3.592) 6.290 9.142 ( 0.000 -0.587 -20.963) 20.971 9.142 ( 0.000 0.587 -20.963) 20.971 9.442 ( 0.000 -13.969 -10.936) 17.741 9.442 ( 0.000 13.969 -10.936) 17.741 11.767 ( 0.000 -7.361 7.792) 10.719 11.767 ( 0.000 7.361 7.792) 10.719 13.190 ( 0.000 -3.787 -8.893) 9.666 13.190 ( 0.000 3.787 -8.893) 9.666 13.822 ( 0.000 -4.299 2.438) 4.943 13.822 ( 0.000 4.299 2.438) 4.943 15.466 ( 0.000 -0.457 -6.284) 6.301 15.466 ( 0.000 0.457 -6.284) 6.301 16.440 ( 0.000 -0.439 2.467) 2.506 16.440 ( 0.000 0.439 2.467) 2.506 16.653 ( 0.000 -5.749 -0.383) 5.762 16.653 ( 0.000 5.749 -0.383) 5.762 20.268 ( 0.000 -3.638 5.926) 6.953 20.268 ( 0.000 3.638 5.926) 6.953 20.425 ( 0.000 -1.592 2.999) 3.395 20.425 ( 0.000 1.592 2.999) 3.395 ======================= Grid point 412 (143/168) ======================= q-point: ( 0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 6.348 -10.553 -11.807) 17.060 3.605 ( 6.348 10.553 -11.807) 17.060 4.034 ( -4.119 -9.004 -8.249) 12.887 4.034 ( -4.119 9.004 -8.249) 12.887 5.614 ( 8.950 -1.390 9.574) 13.180 5.614 ( 8.950 1.390 9.574) 13.180 6.118 ( -3.132 -11.533 -0.341) 11.956 6.118 ( -3.132 11.533 -0.341) 11.956 6.756 ( 3.478 -5.187 -8.398) 10.465 6.756 ( 3.478 5.187 -8.398) 10.465 7.689 ( -23.302 -4.005 -0.672) 23.653 7.689 ( -23.302 4.005 -0.672) 23.653 8.485 ( 8.204 -7.349 -7.967) 13.594 8.485 ( 8.204 7.349 -7.967) 13.594 8.991 ( -3.204 -12.146 -16.184) 20.487 8.991 ( -3.204 12.146 -16.184) 20.487 9.176 ( 11.503 -5.625 -4.617) 13.612 9.176 ( 11.503 5.625 -4.617) 13.612 9.513 ( 5.092 -10.364 -9.096) 14.700 9.513 ( 5.092 10.364 -9.096) 14.700 11.805 ( 4.432 -7.318 6.474) 10.729 11.805 ( 4.432 7.318 6.474) 10.729 12.836 ( -26.399 -4.695 -4.249) 27.148 12.836 ( -26.399 4.695 -4.249) 27.148 14.149 ( 24.055 -3.937 -2.000) 24.457 14.149 ( 24.055 3.937 -2.000) 24.457 15.343 ( -11.983 -1.392 -6.081) 13.510 15.343 ( -11.983 1.392 -6.081) 13.510 16.481 ( 3.712 -1.532 2.185) 4.572 16.481 ( 3.712 1.532 2.185) 4.572 16.646 ( -0.781 -5.280 -0.077) 5.338 16.646 ( -0.781 5.280 -0.077) 5.338 20.285 ( 1.636 -3.469 5.643) 6.823 20.285 ( 1.636 3.469 5.643) 6.823 20.412 ( -1.365 -1.832 3.277) 3.994 20.412 ( -1.365 1.832 3.277) 3.994 ======================= Grid point 414 (144/168) ======================= q-point: ( 0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( 8.703 -11.667 -10.622) 18.019 3.758 ( 8.703 11.667 -10.622) 18.019 3.919 ( -7.424 -11.169 -9.273) 16.305 3.919 ( -7.424 11.169 -9.273) 16.305 5.827 ( 11.558 -4.516 6.358) 13.943 5.827 ( 11.558 4.516 6.358) 13.943 6.017 ( -7.511 -9.263 1.962) 12.086 6.017 ( -7.511 9.263 1.962) 12.086 6.898 ( 11.996 -7.100 -5.165) 14.866 6.898 ( 11.996 7.100 -5.165) 14.866 7.232 ( -21.787 -5.827 -1.356) 22.593 7.232 ( -21.787 5.828 -1.356) 22.593 8.661 ( 9.665 -8.844 -14.761) 19.736 8.661 ( 9.665 8.844 -14.761) 19.736 8.847 ( -9.196 -10.023 -18.446) 22.919 8.847 ( -9.196 10.023 -18.447) 22.919 9.438 ( 11.470 -5.493 -0.493) 12.727 9.438 ( 11.470 5.493 -0.493) 12.727 9.564 ( -1.224 -6.768 -4.206) 8.061 9.564 ( -1.224 6.768 -4.206) 8.061 11.971 ( 13.405 -6.954 3.063) 15.409 11.971 ( 13.405 6.954 3.063) 15.409 12.334 ( -23.502 -5.908 -0.667) 24.243 12.334 ( -23.502 5.908 -0.667) 24.243 14.616 ( 23.258 -3.235 -4.497) 23.909 14.616 ( 23.258 3.235 -4.497) 23.909 15.033 ( -19.248 -2.371 -5.594) 20.185 15.033 ( -19.248 2.371 -5.594) 20.185 16.559 ( 3.787 -2.809 1.547) 4.962 16.559 ( 3.787 2.809 1.547) 4.962 16.618 ( -2.231 -4.138 0.692) 4.752 16.618 ( -2.231 4.138 0.692) 4.752 20.326 ( 2.503 -3.007 4.908) 6.277 20.326 ( 2.503 3.007 4.908) 6.277 20.375 ( -2.336 -2.391 4.005) 5.217 20.375 ( -2.336 2.391 4.005) 5.217 ======================= Grid point 450 (145/168) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( 0.000 0.000 11.266) 11.266 3.887 ( 0.000 0.000 6.475) 6.475 3.991 ( 0.000 0.000 -4.134) 4.134 4.073 ( 0.000 0.000 12.387) 12.387 4.077 ( 0.000 0.000 -8.789) 8.789 4.343 ( 0.000 0.000 -14.104) 14.104 4.844 ( 0.000 0.000 22.600) 22.600 5.172 ( 0.000 0.000 -8.022) 8.022 6.706 ( 0.000 0.000 21.350) 21.350 7.023 ( 0.000 0.000 -5.167) 5.167 7.246 ( 0.000 0.000 0.687) 0.687 7.488 ( 0.000 0.000 -18.712) 18.712 9.311 ( 0.000 0.000 13.860) 13.860 9.504 ( 0.000 0.000 -4.663) 4.663 9.928 ( 0.000 0.000 23.835) 23.835 10.039 ( 0.000 0.000 23.874) 23.874 10.159 ( 0.000 0.000 18.423) 18.423 10.305 ( 0.000 0.000 -12.431) 12.431 10.792 ( 0.000 0.000 20.271) 20.271 11.059 ( 0.000 0.000 -9.714) 9.714 11.230 ( 0.000 0.000 -23.352) 23.352 11.291 ( 0.000 0.000 -26.026) 26.026 13.313 ( 0.000 0.000 7.405) 7.405 13.543 ( 0.000 0.000 -15.185) 15.185 14.774 ( 0.000 0.000 26.725) 26.725 15.163 ( 0.000 0.000 21.465) 21.465 15.302 ( 0.000 0.000 -25.093) 25.093 15.546 ( 0.000 0.000 16.175) 16.175 15.592 ( 0.000 0.000 -20.573) 20.573 15.850 ( 0.000 0.000 -13.678) 13.678 16.405 ( 0.000 0.000 7.863) 7.863 16.611 ( 0.000 0.000 -12.105) 12.105 19.926 ( 0.000 0.000 -1.235) 1.235 19.939 ( 0.000 0.000 -2.236) 2.236 20.938 ( 0.000 0.000 1.064) 1.064 21.005 ( 0.000 0.000 -5.349) 5.349 ======================= Grid point 451 (146/168) ======================= q-point: ( 0.20 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( 0.026 0.000 10.922) 10.922 3.883 ( -0.309 0.000 7.103) 7.110 4.002 ( 0.994 0.000 -4.755) 4.858 4.070 ( -0.688 0.000 -8.453) 8.481 4.171 ( 9.710 0.000 15.813) 18.557 4.498 ( 14.320 0.000 -15.178) 20.867 4.826 ( -2.757 0.000 22.918) 23.084 5.190 ( 0.618 0.000 -10.593) 10.611 6.731 ( 3.041 0.000 17.860) 18.117 7.019 ( -0.224 0.000 -5.162) 5.167 7.195 ( -2.731 0.000 6.245) 6.816 7.517 ( 0.383 0.000 -18.299) 18.303 9.291 ( -1.486 0.000 13.210) 13.293 9.458 ( -4.473 0.000 -1.732) 4.797 9.905 ( -1.451 0.000 16.087) 16.152 10.051 ( 1.243 0.000 23.613) 23.646 10.149 ( -1.028 0.000 19.271) 19.299 10.160 ( -10.238 0.000 -6.761) 12.269 11.020 ( 18.011 0.000 12.993) 22.209 11.079 ( 1.971 0.000 -11.526) 11.693 11.266 ( -2.416 0.000 -24.638) 24.756 11.326 ( 8.494 0.000 -17.305) 19.277 13.225 ( -7.919 0.000 5.710) 9.763 13.420 ( -11.516 0.000 -13.318) 17.607 14.802 ( 2.774 0.000 25.389) 25.540 15.093 ( -5.463 0.000 15.778) 16.697 15.364 ( 4.633 0.000 -18.544) 19.114 15.561 ( 1.785 0.000 12.856) 12.980 15.575 ( -1.705 0.000 -20.260) 20.332 15.823 ( -3.165 0.000 -12.973) 13.354 16.409 ( 1.204 0.000 7.960) 8.050 16.604 ( -1.194 0.000 -11.109) 11.173 19.962 ( 3.133 0.000 -1.090) 3.318 19.971 ( 2.868 0.000 -1.835) 3.405 20.928 ( -0.794 0.000 0.479) 0.927 20.985 ( -1.939 0.000 -4.888) 5.259 ======================= Grid point 452 (147/168) ======================= q-point: ( 0.40 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( 0.120 0.000 9.935) 9.935 3.877 ( -0.271 0.000 8.506) 8.510 4.026 ( 1.367 0.000 -6.123) 6.274 4.051 ( -1.202 0.000 -7.500) 7.596 4.414 ( 14.101 0.000 22.083) 26.201 4.660 ( -8.726 0.000 23.060) 24.655 4.861 ( 15.360 0.000 -16.922) 22.854 5.123 ( -8.880 0.000 -17.019) 19.197 6.832 ( 7.229 0.000 15.617) 17.209 6.976 ( -5.864 0.000 10.911) 12.387 7.242 ( 8.814 0.000 -4.956) 10.112 7.439 ( -8.556 0.000 -14.186) 16.566 9.285 ( 1.538 0.000 9.480) 9.604 9.355 ( -5.244 0.000 3.733) 6.437 9.905 ( 1.984 0.000 4.142) 4.593 9.990 ( -6.754 0.000 -2.914) 7.356 10.083 ( 1.934 0.000 22.721) 22.803 10.121 ( -1.805 0.000 21.105) 21.182 11.133 ( 3.436 0.000 -15.943) 16.309 11.204 ( -3.706 0.000 -20.899) 21.225 11.352 ( 13.577 0.000 5.953) 14.825 11.463 ( 2.584 0.000 -5.151) 5.763 13.090 ( -3.087 0.000 -0.399) 3.112 13.175 ( -11.036 0.000 -8.484) 13.920 14.877 ( 4.806 0.000 21.906) 22.427 14.981 ( -5.772 0.000 17.706) 18.623 15.453 ( 4.320 0.000 -18.157) 18.664 15.527 ( -3.206 0.000 -19.352) 19.616 15.622 ( 4.555 0.000 4.675) 6.528 15.729 ( -5.895 0.000 -5.640) 8.158 16.467 ( 4.395 0.000 1.941) 4.804 16.553 ( -3.906 0.000 -6.357) 7.461 20.019 ( 2.099 0.000 -0.784) 2.241 20.024 ( 1.739 0.000 -1.164) 2.093 20.919 ( 0.191 0.000 -1.264) 1.279 20.942 ( -2.055 0.000 -3.444) 4.011 ======================= Grid point 455 (148/168) ======================= q-point: ( 0.00 0.07 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 0.000 -3.799 12.601) 13.161 3.930 ( 0.000 -4.401 4.761) 6.484 3.982 ( 0.000 6.449 5.422) 8.425 4.109 ( 0.000 3.133 -7.318) 7.960 4.330 ( 0.000 21.481 2.365) 21.611 4.480 ( 0.000 15.306 -11.347) 19.054 5.016 ( 0.000 16.546 20.271) 26.166 5.322 ( 0.000 14.182 -8.273) 16.418 6.793 ( 0.000 6.732 18.459) 19.648 6.992 ( 0.000 -4.472 1.096) 4.604 7.307 ( 0.000 6.721 -5.234) 8.519 7.442 ( 0.000 -3.691 -16.597) 17.002 9.282 ( 0.000 -2.661 13.878) 14.131 9.478 ( 0.000 -2.383 -4.428) 5.028 9.556 ( 0.000 -26.164 25.209) 36.332 9.782 ( 0.000 -21.228 9.986) 23.459 10.244 ( 0.000 -1.043 19.673) 19.700 10.325 ( 0.000 -1.376 -2.576) 2.920 10.534 ( 0.000 -15.826 -2.000) 15.952 10.754 ( 0.000 -24.919 -21.984) 33.230 11.289 ( 0.000 13.219 8.050) 15.477 11.683 ( 0.000 17.089 -25.015) 30.295 13.069 ( 0.000 -20.911 3.397) 21.185 13.173 ( 0.000 -28.367 -5.855) 28.965 14.830 ( 0.000 -1.768 21.238) 21.311 15.206 ( 0.000 -9.162 -12.097) 15.175 15.307 ( 0.000 15.241 14.208) 20.836 15.623 ( 0.000 8.996 -14.443) 17.016 15.713 ( 0.000 7.920 2.839) 8.413 15.914 ( 0.000 5.436 -11.785) 12.979 16.419 ( 0.000 1.352 8.820) 8.923 16.642 ( 0.000 2.885 -12.764) 13.086 19.964 ( 0.000 3.507 -0.679) 3.572 19.984 ( 0.000 4.109 -2.350) 4.734 20.916 ( 0.000 -2.028 1.112) 2.313 20.982 ( 0.000 -2.248 -5.109) 5.581 ======================= Grid point 456 (149/168) ======================= q-point: ( 0.20 0.07 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( -0.242 -3.862 13.072) 13.632 3.940 ( -1.310 1.928 7.428) 7.785 3.985 ( 1.562 0.547 -0.577) 1.752 4.099 ( -1.265 2.808 -7.469) 8.079 4.406 ( 8.588 20.423 8.529) 23.740 4.631 ( 13.272 13.338 -10.296) 21.449 5.037 ( 1.159 19.743 17.258) 26.249 5.342 ( 1.076 14.517 -9.557) 17.414 6.785 ( -0.178 3.912 15.280) 15.774 6.972 ( -2.147 -5.727 2.126) 6.475 7.247 ( -2.742 5.637 -1.003) 6.349 7.477 ( 0.520 -3.157 -16.371) 16.680 9.251 ( -2.331 -4.245 13.421) 14.268 9.380 ( -5.808 -9.581 6.108) 12.761 9.647 ( 5.153 -15.410 10.183) 19.176 9.814 ( 2.742 -18.868 6.474) 20.135 10.111 ( -8.346 -6.509 13.335) 17.025 10.244 ( -5.809 2.659 9.058) 11.085 10.729 ( 12.885 -16.951 -7.480) 22.568 10.850 ( 7.617 -20.664 -16.757) 27.673 11.351 ( 6.857 12.721 7.408) 16.240 11.687 ( 0.631 16.412 -21.554) 27.098 12.961 ( -9.993 -22.834 2.897) 25.093 13.065 ( -10.467 -28.065 -6.469) 30.644 14.855 ( 2.538 -1.380 20.664) 20.865 15.156 ( -5.622 -5.618 9.073) 12.062 15.272 ( -0.451 8.232 -6.479) 10.485 15.555 ( -6.735 2.813 -17.950) 19.377 15.785 ( 6.674 14.009 4.455) 16.144 15.963 ( 3.068 9.846 -11.061) 15.123 16.420 ( 0.744 1.072 8.451) 8.551 16.626 ( -1.924 2.105 -11.602) 11.947 19.997 ( 2.909 3.242 -0.666) 4.406 20.011 ( 2.443 3.715 -1.867) 4.823 20.907 ( -0.743 -1.971 0.545) 2.176 20.962 ( -1.860 -2.165 -4.649) 5.455 ======================= Grid point 457 (150/168) ======================= q-point: ( 0.40 0.07 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 1.714 -2.091 12.277) 12.572 3.890 ( -2.963 1.297 9.982) 10.493 4.025 ( 2.099 -0.078 -5.095) 5.511 4.065 ( -2.018 1.501 -6.906) 7.350 4.633 ( 12.947 18.403 16.211) 27.733 4.812 ( -1.425 12.665 11.361) 17.074 5.101 ( 9.575 22.953 -7.384) 25.943 5.300 ( -6.880 17.042 -13.959) 23.079 6.812 ( 3.468 -2.552 13.267) 13.948 6.904 ( -4.856 -7.072 9.418) 12.739 7.274 ( 5.843 3.181 -4.239) 7.888 7.416 ( -6.573 -1.795 -12.357) 14.111 9.231 ( 0.798 -5.687 10.607) 12.062 9.282 ( -4.129 -7.484 7.441) 11.333 9.738 ( 4.610 -12.999 2.551) 14.026 9.824 ( -3.146 -14.517 -3.366) 15.230 10.038 ( 1.940 -4.091 21.351) 21.826 10.128 ( -5.879 -0.503 14.790) 15.924 10.919 ( 6.001 -15.330 -12.215) 20.499 10.958 ( 2.108 -15.941 -14.138) 21.411 11.548 ( 11.539 11.890 3.245) 16.883 11.691 ( -2.021 14.371 -9.676) 17.442 12.775 ( -5.561 -27.343 -1.034) 27.922 12.834 ( -10.485 -28.399 -6.241) 30.910 14.925 ( 4.632 -1.048 19.621) 20.187 15.032 ( -6.249 -1.680 18.226) 19.341 15.309 ( 3.894 0.737 -15.063) 15.576 15.416 ( -6.837 -0.322 -16.953) 18.282 15.908 ( 5.380 17.010 -0.130) 17.841 15.980 ( -1.656 15.529 -6.203) 16.804 16.471 ( 4.344 0.273 2.044) 4.808 16.563 ( -4.435 0.898 -6.755) 8.130 20.051 ( 1.964 2.885 -0.611) 3.543 20.056 ( 1.477 3.010 -1.037) 3.509 20.899 ( 0.197 -1.898 -1.133) 2.219 20.921 ( -1.968 -1.985 -3.233) 4.274 ======================= Grid point 460 (151/168) ======================= q-point: ( 0.00 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 0.000 -10.100 14.327) 17.529 3.808 ( 0.000 -7.401 3.307) 8.107 4.098 ( 0.000 6.066 4.728) 7.690 4.211 ( 0.000 6.824 -6.374) 9.337 4.831 ( 0.000 23.927 5.671) 24.590 4.944 ( 0.000 25.474 -6.255) 26.231 5.528 ( 0.000 32.373 13.041) 34.901 5.748 ( 0.000 27.205 -6.571) 27.987 6.815 ( 0.000 -12.244 2.898) 12.583 6.835 ( 0.000 -6.406 4.774) 7.989 7.408 ( 0.000 1.455 -5.104) 5.308 7.491 ( 0.000 8.730 -8.289) 12.039 8.987 ( 0.000 -24.897 22.671) 33.673 9.218 ( 0.000 -5.381 14.584) 15.546 9.253 ( 0.000 -26.597 3.009) 26.767 9.424 ( 0.000 -3.638 -6.610) 7.544 9.988 ( 0.000 -19.346 8.528) 21.143 10.078 ( 0.000 -25.235 -11.344) 27.668 10.326 ( 0.000 -5.794 -1.911) 6.101 10.398 ( 0.000 -5.302 -6.222) 8.174 11.432 ( 0.000 -3.463 16.404) 16.765 11.892 ( 0.000 -1.511 -25.990) 26.034 12.632 ( 0.000 -14.420 -0.411) 14.426 12.644 ( 0.000 -16.926 -0.708) 16.940 14.701 ( 0.000 -8.856 16.681) 18.886 14.973 ( 0.000 -12.783 -8.796) 15.517 15.638 ( 0.000 13.110 4.212) 13.770 15.766 ( 0.000 3.639 -6.459) 7.413 15.931 ( 0.000 12.262 0.451) 12.270 16.046 ( 0.000 7.169 -8.406) 11.048 16.460 ( 0.000 2.606 11.225) 11.523 16.716 ( 0.000 3.828 -13.598) 14.127 20.060 ( 0.000 5.364 0.700) 5.410 20.095 ( 0.000 6.177 -2.507) 6.667 20.856 ( 0.000 -3.689 1.153) 3.865 20.914 ( 0.000 -4.230 -4.368) 6.080 ======================= Grid point 461 (152/168) ======================= q-point: ( 0.20 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( 2.226 -7.777 15.057) 17.093 3.855 ( 3.473 -7.115 2.361) 8.262 4.080 ( -1.931 6.226 4.129) 7.716 4.188 ( -2.385 6.402 -6.080) 9.146 4.904 ( 6.738 24.381 6.359) 26.082 5.011 ( 7.482 21.095 -2.358) 22.506 5.599 ( 5.640 32.902 8.163) 34.365 5.776 ( 2.221 27.180 -6.078) 27.940 6.759 ( -5.004 -12.777 3.689) 14.209 6.788 ( -4.486 -8.135 4.339) 10.253 7.386 ( -1.708 4.987 -3.905) 6.561 7.469 ( -2.334 4.762 -8.202) 9.767 8.973 ( -0.295 -21.522 19.566) 29.088 9.130 ( -4.043 -12.720 10.777) 17.155 9.365 ( 4.658 -20.935 0.477) 21.452 9.455 ( 2.786 -6.970 -4.204) 8.604 9.906 ( -1.561 -11.545 11.494) 16.366 10.202 ( -0.109 -14.002 -12.579) 18.823 10.316 ( 8.961 -12.083 6.912) 16.555 10.529 ( 8.082 -11.309 -10.261) 17.277 11.478 ( 5.449 -4.797 14.953) 16.622 11.902 ( 1.532 -1.372 -24.411) 24.498 12.461 ( -15.728 -17.624 2.551) 23.759 12.536 ( -11.323 -16.246 -4.442) 20.295 14.733 ( 2.979 -8.290 14.459) 16.931 14.940 ( -2.986 -11.724 -4.257) 12.825 15.539 ( -6.007 11.346 1.539) 12.929 15.661 ( -8.169 5.152 -8.649) 12.964 16.068 ( 10.096 12.468 0.972) 16.072 16.155 ( 8.035 8.252 -6.653) 13.301 16.453 ( -0.531 2.193 10.071) 10.320 16.686 ( -3.180 3.467 -12.554) 13.406 20.085 ( 2.297 4.970 0.508) 5.498 20.112 ( 1.541 5.668 -1.953) 6.190 20.849 ( -0.585 -3.572 0.652) 3.678 20.897 ( -1.592 -4.038 -3.930) 5.855 ======================= Grid point 462 (153/168) ======================= q-point: ( 0.40 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( 4.824 -4.436 13.890) 15.358 3.875 ( -2.652 -4.401 8.224) 9.698 4.062 ( 1.531 5.235 -2.058) 5.829 4.124 ( -3.873 5.204 -5.599) 8.569 5.069 ( 8.871 21.567 9.996) 25.373 5.150 ( 2.783 18.737 5.454) 19.712 5.702 ( 5.359 31.459 -3.031) 32.056 5.791 ( -2.056 28.449 -7.938) 29.607 6.673 ( -2.359 -12.925 5.425) 14.215 6.694 ( -4.009 -11.019 5.131) 12.799 7.370 ( 0.566 5.358 -3.603) 6.481 7.410 ( -3.175 2.807 -6.076) 7.408 8.999 ( 2.746 -16.610 15.338) 22.775 9.062 ( -3.344 -13.405 12.176) 18.416 9.423 ( 2.468 -19.658 -5.538) 20.572 9.470 ( -1.745 -16.240 -7.163) 17.835 9.977 ( 7.648 -0.670 16.975) 18.630 10.124 ( -6.248 1.736 8.747) 10.888 10.535 ( 9.680 -20.489 -7.907) 24.000 10.629 ( 0.674 -16.114 -11.702) 19.926 11.679 ( 15.622 -6.611 10.806) 20.112 11.968 ( 1.253 10.196 -13.495) 16.960 12.102 ( -14.309 -33.249 1.029) 36.212 12.257 ( -15.342 -17.530 -10.702) 25.636 14.802 ( 3.859 -7.899 9.837) 13.193 14.874 ( -3.537 -9.341 3.747) 10.668 15.471 ( -0.584 8.760 -3.348) 9.396 15.520 ( -5.425 6.472 -7.222) 11.112 16.228 ( 5.775 12.693 0.731) 13.964 16.276 ( 2.062 12.692 -2.935) 13.189 16.474 ( 4.263 0.102 2.164) 4.782 16.593 ( -6.204 2.258 -8.481) 10.748 20.129 ( 1.730 4.427 0.032) 4.753 20.139 ( 0.759 4.711 -0.831) 4.844 20.843 ( 0.210 -3.430 -0.804) 3.529 20.862 ( -1.679 -3.629 -2.635) 4.789 ======================= Grid point 465 (154/168) ======================= q-point: ( 0.00 0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 0.000 -14.943 17.398) 22.934 3.629 ( 0.000 -9.673 -1.824) 9.843 4.256 ( 0.000 8.818 7.379) 11.499 4.390 ( 0.000 10.322 -5.588) 11.737 5.264 ( 0.000 17.795 9.771) 20.301 5.393 ( 0.000 16.644 -3.635) 17.036 6.177 ( 0.000 14.124 9.406) 16.970 6.423 ( 0.000 32.253 -8.064) 33.246 6.559 ( 0.000 -13.112 -0.996) 13.150 6.600 ( 0.000 5.637 -1.328) 5.791 7.361 ( 0.000 -9.836 1.961) 10.029 7.539 ( 0.000 -7.047 -12.211) 14.099 8.640 ( 0.000 -7.012 14.822) 16.397 8.803 ( 0.000 -13.210 1.698) 13.319 8.992 ( 0.000 -17.455 16.407) 23.955 9.303 ( 0.000 -12.211 -11.309) 16.643 9.515 ( 0.000 -23.458 -5.389) 24.069 9.658 ( 0.000 -11.600 -10.109) 15.387 10.244 ( 0.000 -1.607 9.933) 10.062 10.394 ( 0.000 3.381 -3.469) 4.845 11.110 ( 0.000 -22.013 18.753) 28.918 11.548 ( 0.000 -24.423 -23.358) 33.795 12.579 ( 0.000 7.450 0.037) 7.450 12.627 ( 0.000 8.897 -5.076) 10.243 14.492 ( 0.000 -11.229 11.737) 16.243 14.686 ( 0.000 -14.863 -6.959) 16.412 15.784 ( 0.000 1.261 -1.993) 2.359 15.787 ( 0.000 -1.491 -1.723) 2.279 16.162 ( 0.000 9.652 -0.056) 9.653 16.205 ( 0.000 7.611 -3.852) 8.530 16.524 ( 0.000 3.313 12.259) 12.698 16.782 ( 0.000 2.204 -12.943) 13.129 20.171 ( 0.000 5.074 2.331) 5.584 20.222 ( 0.000 5.790 -2.438) 6.282 20.768 ( 0.000 -4.740 0.973) 4.839 20.810 ( 0.000 -5.711 -3.115) 6.505 ======================= Grid point 466 (155/168) ======================= q-point: ( 0.20 0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 6.015 -13.082 16.945) 22.237 3.683 ( 4.473 -9.092 -1.120) 10.194 4.240 ( -1.549 8.910 7.075) 11.483 4.367 ( -2.515 10.527 -5.228) 12.020 5.333 ( 5.856 16.962 7.359) 19.394 5.402 ( 2.995 14.741 0.605) 15.054 6.142 ( -5.439 0.141 8.024) 9.695 6.405 ( -5.008 16.722 -12.319) 21.365 6.529 ( -0.797 3.752 1.952) 4.304 6.588 ( 1.858 11.141 -2.263) 11.519 7.408 ( 3.696 -3.956 1.560) 5.635 7.546 ( 0.313 -1.730 -9.749) 9.906 8.623 ( -0.666 -9.768 15.048) 17.953 8.798 ( -1.289 -14.284 3.907) 14.865 8.969 ( -1.159 -18.812 8.201) 20.555 9.243 ( -5.691 -16.531 -13.278) 21.954 9.634 ( 12.170 -15.596 3.048) 20.015 9.825 ( 14.972 -12.778 -10.389) 22.257 10.262 ( 0.682 -0.891 10.343) 10.403 10.408 ( 0.592 0.581 -3.414) 3.513 11.123 ( 2.072 -22.669 16.506) 28.118 11.517 ( -3.295 -25.663 -21.035) 33.345 12.428 ( -13.416 7.608 0.415) 15.428 12.504 ( -11.672 8.031 -6.944) 15.778 14.550 ( 5.207 -9.184 9.296) 14.067 14.692 ( 0.626 -12.079 -4.286) 12.832 15.677 ( -7.014 1.823 -0.575) 7.270 15.713 ( -6.979 -0.639 -3.824) 7.983 16.271 ( 8.022 7.125 -0.024) 10.729 16.306 ( 8.943 6.327 -2.999) 11.358 16.517 ( -0.858 3.868 10.659) 11.371 16.753 ( -3.073 2.595 -12.156) 12.805 20.188 ( 1.602 4.715 1.948) 5.347 20.229 ( 0.599 5.336 -1.862) 5.683 20.764 ( -0.341 -4.592 0.610) 4.645 20.799 ( -1.099 -5.407 -2.752) 6.166 ======================= Grid point 467 (156/168) ======================= q-point: ( 0.40 0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 7.544 -9.608 13.732) 18.379 3.733 ( -1.069 -8.275 5.206) 9.835 4.225 ( 1.253 9.623 2.236) 9.958 4.293 ( -4.659 10.425 -3.668) 11.994 5.446 ( 6.736 13.023 10.046) 17.773 5.515 ( 3.213 15.208 7.348) 17.193 6.032 ( -0.630 -11.494 -2.822) 11.852 6.192 ( -13.377 -6.348 -13.902) 20.311 6.594 ( 4.496 20.819 2.617) 21.459 6.634 ( 0.906 17.141 -0.838) 17.185 7.475 ( 3.237 5.404 -0.601) 6.327 7.531 ( -2.078 6.263 -5.507) 8.595 8.646 ( 3.291 -15.129 14.716) 21.361 8.734 ( -4.851 -16.845 12.129) 21.317 8.997 ( 4.189 -19.199 -6.934) 20.838 9.112 ( -7.007 -19.155 -12.504) 23.924 9.935 ( 16.567 -8.683 10.065) 21.241 10.135 ( 11.229 -16.628 -5.015) 20.682 10.211 ( -3.969 3.828 7.884) 9.621 10.369 ( -5.891 -4.909 -5.000) 9.155 11.223 ( 8.521 -25.179 7.959) 27.748 11.408 ( -8.379 -28.010 -9.045) 30.604 12.197 ( -6.289 9.181 -3.968) 11.815 12.256 ( -10.896 8.000 -9.067) 16.277 14.653 ( 4.368 -6.391 4.922) 9.173 14.699 ( -0.492 -7.446 0.554) 7.483 15.574 ( -2.704 0.626 -1.480) 3.145 15.591 ( -4.312 -0.474 -3.073) 5.316 16.403 ( 5.445 4.992 3.237) 8.065 16.478 ( -0.404 1.369 6.342) 6.500 16.505 ( 7.382 8.065 -5.006) 12.025 16.660 ( -6.527 3.792 -9.768) 12.345 20.221 ( 1.482 4.206 0.927) 4.555 20.237 ( -0.054 4.469 -0.499) 4.498 20.761 ( 0.202 -4.435 -0.424) 4.460 20.775 ( -1.158 -4.769 -1.746) 5.209 ======================= Grid point 470 (157/168) ======================= q-point: ( 0.00 0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 0.000 -12.375 18.985) 22.662 3.426 ( 0.000 -9.281 -8.564) 12.629 4.422 ( 0.000 5.614 11.204) 12.532 4.613 ( 0.000 9.878 -6.812) 11.999 5.574 ( 0.000 12.534 9.811) 15.918 5.611 ( 0.000 3.766 2.166) 4.345 5.907 ( 0.000 -21.409 5.568) 22.122 6.199 ( 0.000 -11.261 -16.460) 19.943 7.040 ( 0.000 -17.207 0.713) 17.221 7.181 ( 0.000 9.802 -3.632) 10.453 7.222 ( 0.000 35.762 0.139) 35.763 7.245 ( 0.000 4.430 -8.490) 9.576 8.465 ( 0.000 -18.173 14.033) 22.961 8.717 ( 0.000 0.047 0.196) 0.202 8.760 ( 0.000 3.420 5.492) 6.469 8.829 ( 0.000 -23.675 -13.057) 27.037 9.254 ( 0.000 -8.062 0.417) 8.073 9.410 ( 0.000 -13.692 -14.508) 19.949 10.090 ( 0.000 -19.425 18.086) 26.542 10.376 ( 0.000 -11.968 -9.357) 15.192 10.905 ( 0.000 8.942 14.457) 16.999 11.217 ( 0.000 -0.445 -17.334) 17.340 12.803 ( 0.000 12.069 -0.868) 12.100 12.840 ( 0.000 10.177 -4.476) 11.117 14.243 ( 0.000 -12.598 7.520) 14.671 14.369 ( 0.000 -15.316 -4.809) 16.054 15.709 ( 0.000 -5.829 -1.242) 5.960 15.728 ( 0.000 -5.828 -3.270) 6.683 16.325 ( 0.000 6.128 0.577) 6.155 16.339 ( 0.000 5.239 -0.763) 5.295 16.584 ( 0.000 2.197 10.226) 10.459 16.799 ( 0.000 -0.582 -10.677) 10.693 20.259 ( 0.000 3.278 3.795) 5.014 20.324 ( 0.000 3.910 -2.224) 4.499 20.666 ( 0.000 -4.961 0.436) 4.981 20.683 ( 0.000 -6.418 -1.352) 6.558 ======================= Grid point 471 (158/168) ======================= q-point: ( 0.20 0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 9.034 -11.239 18.419) 23.392 3.497 ( 5.920 -8.338 -6.493) 12.113 4.405 ( -1.452 5.196 10.555) 11.854 4.593 ( -2.452 9.736 -6.779) 12.115 5.547 ( -4.855 0.601 4.296) 6.511 5.627 ( 5.056 7.757 1.017) 9.315 5.786 ( -9.692 -18.178 11.027) 23.367 6.165 ( -4.685 -9.101 -18.819) 21.423 7.017 ( -0.886 2.558 3.447) 4.383 7.128 ( -3.185 17.921 -5.027) 18.884 7.350 ( 12.157 13.227 0.614) 17.976 7.407 ( 11.249 -0.668 -7.501) 13.537 8.448 ( -1.679 -15.635 13.438) 20.684 8.615 ( -7.845 -0.639 8.387) 11.502 8.722 ( -2.323 -8.083 -8.616) 12.041 8.817 ( -3.837 -14.885 -12.103) 19.565 9.378 ( 13.178 -8.960 5.423) 16.833 9.577 ( 14.101 -11.733 -12.138) 21.996 10.088 ( -0.564 -20.013 15.877) 25.552 10.353 ( -2.818 -13.582 -8.886) 16.474 10.930 ( 2.847 9.367 12.761) 16.084 11.203 ( -1.475 1.567 -15.108) 15.260 12.616 ( -15.528 8.859 0.858) 17.898 12.691 ( -14.047 8.538 -6.523) 17.685 14.356 ( 9.787 -9.436 5.615) 14.709 14.451 ( 7.068 -10.805 -3.554) 13.392 15.626 ( -7.225 -6.286 -1.267) 9.660 15.639 ( -7.634 -5.921 -2.689) 10.028 16.386 ( 4.985 4.350 1.309) 6.745 16.411 ( 6.146 4.028 -0.327) 7.356 16.591 ( 0.758 2.756 7.763) 8.273 16.780 ( -2.008 -0.064 -9.931) 10.132 20.270 ( 1.068 3.064 3.251) 4.593 20.323 ( -0.158 3.586 -1.629) 3.942 20.665 ( -0.124 -4.874 0.293) 4.885 20.679 ( -0.438 -6.066 -1.159) 6.192 ======================= Grid point 472 (159/168) ======================= q-point: ( 0.40 0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 10.728 -8.653 14.666) 20.125 3.566 ( -1.151 -7.116 3.467) 7.999 4.404 ( 2.707 5.408 3.229) 6.856 4.506 ( -6.170 8.120 -5.261) 11.475 5.494 ( 0.723 -8.384 7.025) 10.962 5.583 ( -7.807 -18.756 5.100) 20.946 5.799 ( 10.100 7.934 -1.729) 12.960 6.010 ( -10.479 -1.312 -14.853) 18.225 7.025 ( 1.588 11.088 1.725) 11.333 7.070 ( -2.799 15.899 -2.197) 16.292 7.576 ( 8.387 4.537 -1.734) 9.692 7.599 ( 6.117 0.055 -4.803) 7.777 8.416 ( -0.621 -9.731 12.165) 15.590 8.468 ( -6.151 -4.327 10.124) 12.612 8.692 ( -0.187 -11.311 -10.973) 15.760 8.727 ( -3.864 -13.861 -12.771) 19.239 9.679 ( 15.009 -11.260 8.631) 20.653 9.824 ( 5.201 -12.559 -0.560) 13.605 10.080 ( 3.133 -18.368 3.129) 18.894 10.244 ( -8.711 -15.737 -8.125) 19.737 11.024 ( 6.614 8.999 6.360) 12.852 11.147 ( -4.828 6.072 -6.079) 9.856 12.358 ( -7.188 6.020 -1.553) 9.504 12.410 ( -11.478 5.864 -6.526) 14.447 14.538 ( 6.975 -4.666 2.256) 8.689 14.572 ( 3.520 -4.623 -0.985) 5.894 15.495 ( -4.512 -8.174 -1.282) 9.425 15.500 ( -4.972 -7.532 -1.825) 9.208 16.476 ( 3.636 2.663 3.675) 5.815 16.504 ( 1.615 1.630 3.860) 4.490 16.630 ( 3.975 3.537 -1.805) 5.619 16.719 ( -4.250 1.453 -7.673) 8.891 20.295 ( 1.292 2.767 1.794) 3.542 20.315 ( -0.713 2.973 -0.077) 3.058 20.664 ( 0.092 -4.864 -0.119) 4.866 20.669 ( -0.455 -5.329 -0.677) 5.391 ======================= Grid point 475 (160/168) ======================= q-point: ( 0.00 0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 0.000 -0.232 13.471) 13.473 3.280 ( 0.000 -4.024 -13.098) 13.702 4.406 ( 0.000 -8.355 13.081) 15.522 4.673 ( 0.000 -8.169 -11.278) 13.926 5.564 ( 0.000 -6.434 4.001) 7.577 5.597 ( 0.000 -1.032 0.741) 1.271 5.819 ( 0.000 10.580 14.246) 17.745 6.142 ( 0.000 2.723 -15.815) 16.048 6.728 ( 0.000 -11.066 -2.507) 11.346 6.823 ( 0.000 -15.752 -12.262) 19.962 7.819 ( 0.000 21.678 6.071) 22.512 7.872 ( 0.000 23.758 -0.117) 23.758 8.119 ( 0.000 -10.557 9.143) 13.966 8.370 ( 0.000 -14.686 -15.248) 21.170 8.777 ( 0.000 -0.167 3.206) 3.211 8.897 ( 0.000 5.057 -4.068) 6.490 9.129 ( 0.000 -10.480 -5.992) 12.072 9.142 ( 0.000 -1.881 -3.327) 3.822 9.581 ( 0.000 -25.291 16.414) 30.151 9.930 ( 0.000 -25.784 -17.622) 31.231 11.286 ( 0.000 22.138 10.890) 24.672 11.460 ( 0.000 17.474 -6.956) 18.807 13.010 ( 0.000 5.582 -2.180) 5.993 13.021 ( 0.000 7.932 -3.357) 8.613 13.998 ( 0.000 -10.075 5.297) 11.383 14.082 ( 0.000 -11.500 -2.999) 11.885 15.563 ( 0.000 -7.701 -1.834) 7.916 15.576 ( 0.000 -8.050 -3.181) 8.656 16.420 ( 0.000 3.230 0.872) 3.346 16.423 ( 0.000 2.952 0.588) 3.010 16.612 ( 0.000 0.714 7.187) 7.222 16.764 ( 0.000 -2.621 -7.485) 7.930 20.305 ( 0.000 1.303 4.694) 4.872 20.382 ( 0.000 1.757 -2.374) 2.954 20.554 ( 0.000 -5.847 1.053) 5.941 20.570 ( 0.000 -4.156 -0.259) 4.164 ======================= Grid point 476 (161/168) ======================= q-point: ( 0.20 0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 9.923 -0.613 13.708) 16.933 3.367 ( 7.550 -3.523 -10.900) 13.720 4.362 ( -3.809 -10.144 11.448) 15.763 4.629 ( -4.931 -10.159 -12.167) 16.600 5.477 ( -6.029 -0.458 3.175) 6.829 5.535 ( -6.450 1.639 -2.366) 7.063 5.849 ( 3.654 8.163 12.668) 15.507 6.125 ( -1.758 2.199 -13.247) 13.543 6.816 ( 9.249 -11.466 2.107) 14.881 6.972 ( 11.410 -13.553 -12.524) 21.697 7.725 ( -8.447 11.635 4.391) 15.033 7.764 ( -9.174 12.183 0.503) 15.259 8.179 ( 5.165 -4.486 7.722) 10.316 8.396 ( 2.156 -9.903 -13.798) 17.121 8.648 ( -7.831 1.415 3.713) 8.781 8.801 ( -7.466 0.291 -9.830) 12.347 9.266 ( 14.137 -1.292 4.587) 14.919 9.396 ( 16.046 -4.999 -7.008) 18.209 9.602 ( 1.817 -22.845 13.437) 26.566 9.907 ( -2.422 -24.288 -16.033) 29.203 11.307 ( 2.375 21.755 9.981) 24.053 11.466 ( 0.574 17.802 -6.331) 18.903 12.752 ( -19.622 3.788 1.458) 20.037 12.822 ( -18.333 3.478 -5.600) 19.482 14.184 ( 15.560 -6.334 4.081) 17.288 14.265 ( 14.643 -6.848 -3.720) 16.587 15.460 ( -9.273 -8.745 -1.067) 12.791 15.484 ( -8.718 -8.453 -3.292) 12.581 16.456 ( 3.473 2.537 1.923) 4.711 16.477 ( 4.221 2.420 0.470) 4.888 16.623 ( 1.126 0.549 5.291) 5.438 16.754 ( -1.102 -2.292 -6.852) 7.308 20.314 ( 0.884 1.314 4.076) 4.373 20.376 ( -0.577 1.684 -1.635) 2.417 20.555 ( 0.168 -5.634 0.883) 5.706 20.569 ( -0.150 -4.253 -0.169) 4.259 ======================= Grid point 477 (162/168) ======================= q-point: ( 0.40 0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 12.018 -1.301 11.828) 16.912 3.466 ( -0.490 -2.044 0.528) 2.168 4.329 ( 2.786 -13.172 0.136) 13.464 4.476 ( -9.935 -13.159 -11.359) 20.023 5.396 ( -1.693 4.952 0.930) 5.315 5.419 ( -4.062 5.811 -1.373) 7.221 5.952 ( 6.275 5.782 5.204) 9.994 6.064 ( -4.673 3.526 -5.229) 7.849 7.029 ( 10.915 -6.680 2.645) 13.067 7.139 ( 2.597 -6.166 -7.325) 9.921 7.559 ( -5.089 -5.186 1.782) 7.481 7.599 ( -6.956 -5.169 -1.214) 8.751 8.292 ( 6.128 -2.134 5.114) 8.262 8.400 ( -3.681 -6.080 -2.972) 7.703 8.572 ( 1.805 5.225 -3.662) 6.630 8.666 ( -6.371 2.942 -9.684) 11.959 9.518 ( 9.888 -5.678 6.513) 13.131 9.620 ( -0.826 -13.217 9.310) 16.188 9.679 ( 11.428 -10.220 -8.630) 17.593 9.835 ( -5.181 -18.364 -11.901) 22.488 11.385 ( 5.340 21.112 5.987) 22.585 11.465 ( -1.689 19.628 -2.157) 19.818 12.430 ( -9.365 0.780 0.456) 9.409 12.479 ( -13.240 0.542 -4.360) 13.950 14.474 ( 11.443 -1.151 1.062) 11.550 14.515 ( 7.936 -0.853 -2.835) 8.470 15.278 ( -6.713 -11.808 -0.676) 13.599 15.298 ( -8.084 -11.214 -2.553) 14.058 16.522 ( 2.640 1.834 3.232) 4.558 16.540 ( 1.245 1.684 2.912) 3.587 16.661 ( 2.819 -0.184 -0.748) 2.922 16.718 ( -2.596 -1.386 -4.977) 5.782 20.336 ( 1.281 1.374 2.408) 3.054 20.360 ( -1.091 1.517 0.231) 1.883 20.560 ( 0.255 -5.116 0.488) 5.146 20.565 ( -0.244 -4.580 0.093) 4.587 ======================= Grid point 480 (163/168) ======================= q-point: ( 0.00 0.43 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 0.000 12.452 3.057) 12.822 3.284 ( 0.000 4.206 -11.322) 12.078 4.127 ( 0.000 -15.587 6.187) 16.770 4.306 ( 0.000 -22.476 -9.494) 24.399 5.591 ( 0.000 4.681 4.077) 6.208 5.629 ( 0.000 2.739 1.059) 2.937 6.025 ( 0.000 8.381 8.465) 11.912 6.172 ( 0.000 -0.918 -6.858) 6.919 6.604 ( 0.000 -4.697 -6.341) 7.891 6.618 ( 0.000 -0.550 -5.409) 5.437 7.899 ( 0.000 -3.844 0.679) 3.904 7.954 ( 0.000 -4.416 -2.556) 5.103 8.333 ( 0.000 13.113 2.873) 13.424 8.349 ( 0.000 8.079 0.564) 8.099 8.743 ( 0.000 -1.155 -5.692) 5.808 8.812 ( 0.000 -6.685 -11.871) 13.624 9.068 ( 0.000 -9.093 5.143) 10.447 9.113 ( 0.000 -4.917 -1.309) 5.088 9.208 ( 0.000 -1.228 6.178) 6.299 9.459 ( 0.000 -16.203 -16.131) 22.864 11.695 ( 0.000 15.802 7.520) 17.500 11.783 ( 0.000 11.770 -1.409) 11.854 13.061 ( 0.000 0.024 -1.293) 1.293 13.098 ( 0.000 -0.343 -4.950) 4.962 13.866 ( 0.000 -2.414 4.019) 4.688 13.919 ( 0.000 -4.468 -1.201) 4.627 15.420 ( 0.000 -5.451 -2.579) 6.030 15.426 ( 0.000 -5.760 -3.201) 6.590 16.465 ( 0.000 1.241 1.022) 1.607 16.465 ( 0.000 1.233 0.878) 1.514 16.624 ( 0.000 0.703 3.869) 3.932 16.703 ( 0.000 -2.974 -3.865) 4.877 20.322 ( 0.000 0.688 4.248) 4.304 20.391 ( 0.000 -1.333 -2.454) 2.792 20.463 ( 0.000 -2.095 3.300) 3.909 20.499 ( 0.000 -2.627 -0.354) 2.651 ======================= Grid point 481 (164/168) ======================= q-point: ( 0.20 0.43 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 7.901 11.101 3.864) 14.163 3.369 ( 7.734 3.566 -10.500) 13.519 4.068 ( -5.332 -15.139 5.036) 16.822 4.249 ( -5.789 -21.898 -10.577) 24.998 5.614 ( 2.046 8.986 2.951) 9.677 5.655 ( 1.965 7.157 -0.439) 7.435 6.000 ( -1.049 6.267 8.316) 10.465 6.155 ( -1.925 -0.454 -6.844) 7.124 6.652 ( 7.765 -3.737 0.465) 8.630 6.754 ( 10.244 -6.970 -8.084) 14.794 7.740 ( -15.223 -4.089 2.279) 15.926 7.765 ( -18.161 -5.793 0.193) 19.063 8.268 ( -0.605 6.593 2.464) 7.064 8.376 ( 0.327 3.037 -8.043) 8.603 8.658 ( -4.180 -0.634 -1.621) 4.528 8.775 ( -3.301 -2.696 -12.366) 13.080 9.235 ( 9.959 -9.477 6.107) 15.043 9.300 ( 10.899 0.934 -0.922) 10.977 9.324 ( 14.632 -4.054 2.739) 15.428 9.500 ( 4.284 -11.359 -13.184) 17.922 11.713 ( 2.174 15.885 6.953) 17.476 11.797 ( 1.698 12.242 -1.620) 12.465 12.777 ( -22.160 -0.550 1.078) 22.193 12.829 ( -21.715 -2.221 -4.143) 22.218 14.113 ( 19.768 -0.712 2.419) 19.928 14.169 ( 19.525 -2.830 -2.872) 19.937 15.301 ( -11.112 -5.851 -1.707) 12.674 15.321 ( -10.360 -6.485 -3.574) 12.735 16.495 ( 3.030 1.334 1.740) 3.740 16.512 ( 3.690 0.877 0.234) 3.800 16.627 ( 0.297 0.262 3.295) 3.319 16.698 ( -0.629 -2.831 -3.479) 4.530 20.333 ( 1.074 0.827 3.823) 4.056 20.393 ( 0.023 -0.407 -1.948) 1.990 20.461 ( -0.099 -2.844 3.093) 4.203 20.494 ( -0.539 -2.870 -0.219) 2.929 ======================= Grid point 482 (165/168) ======================= q-point: ( 0.40 0.43 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 9.620 8.022 4.243) 13.225 3.495 ( 1.814 4.839 -3.303) 6.133 3.988 ( -0.027 -16.706 -3.010) 16.975 4.097 ( -8.795 -19.771 -11.143) 24.340 5.653 ( 1.653 15.497 0.717) 15.602 5.674 ( -0.271 15.527 -1.163) 15.573 6.027 ( 3.552 1.047 5.032) 6.247 6.102 ( -3.521 -0.639 -2.319) 4.264 6.886 ( 14.955 -5.227 2.512) 16.040 6.977 ( 10.699 -7.444 -5.895) 14.305 7.369 ( -17.764 -10.747 4.136) 21.170 7.407 ( -16.828 -10.844 0.239) 20.021 8.304 ( 3.237 3.735 -2.329) 5.464 8.362 ( -2.142 2.794 -8.081) 8.814 8.635 ( 1.721 -2.894 -3.581) 4.916 8.699 ( -4.134 -3.622 -9.663) 11.117 9.385 ( 5.787 -1.765 1.624) 6.264 9.435 ( 1.428 -2.045 -2.335) 3.417 9.580 ( 8.762 -4.505 0.687) 9.876 9.613 ( 4.737 -4.830 -3.489) 7.612 11.795 ( 5.982 17.210 4.575) 18.785 11.848 ( 2.208 15.868 -0.824) 16.042 12.392 ( -12.986 -4.027 1.739) 13.707 12.433 ( -15.534 -4.670 -2.359) 16.391 14.494 ( 16.796 2.791 0.088) 17.026 14.532 ( 14.647 1.980 -3.484) 15.185 15.047 ( -12.178 -9.478 -0.853) 15.455 15.072 ( -13.052 -9.746 -3.221) 16.605 16.555 ( 2.539 1.438 2.285) 3.706 16.572 ( 1.420 1.430 1.269) 2.381 16.638 ( 1.285 -1.502 0.516) 2.042 16.675 ( -1.771 -2.468 -2.377) 3.858 20.360 ( 1.497 1.140 2.525) 3.149 20.385 ( -0.920 1.066 0.233) 1.428 20.465 ( 0.570 -3.886 1.680) 4.272 20.480 ( -0.863 -3.496 0.324) 3.615 ======================= Grid point 485 (166/168) ======================= q-point: ( 0.00 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( 0.000 -3.116 -5.046) 5.931 3.354 ( 0.000 3.116 -5.046) 5.931 3.953 ( 0.000 -5.135 -3.459) 6.191 3.953 ( 0.000 5.135 -3.459) 6.191 5.656 ( 0.000 -0.842 2.961) 3.079 5.656 ( 0.000 0.842 2.961) 3.079 6.132 ( 0.000 -2.654 -0.531) 2.706 6.132 ( 0.000 2.654 -0.531) 2.706 6.603 ( 0.000 -2.015 -2.651) 3.330 6.603 ( 0.000 2.015 -2.651) 3.330 7.882 ( 0.000 -1.651 -3.549) 3.915 7.882 ( 0.000 1.651 -3.549) 3.915 8.452 ( 0.000 -0.865 5.629) 5.695 8.452 ( 0.000 0.865 5.629) 5.695 8.754 ( 0.000 -1.079 -13.073) 13.118 8.754 ( 0.000 1.079 -13.073) 13.118 8.946 ( 0.000 -3.999 1.690) 4.341 8.946 ( 0.000 3.999 1.690) 4.341 9.291 ( 0.000 -4.493 -4.319) 6.232 9.291 ( 0.000 4.493 -4.319) 6.232 11.890 ( 0.000 -2.208 3.434) 4.082 11.890 ( 0.000 2.208 3.434) 4.082 13.064 ( 0.000 -1.262 -3.228) 3.466 13.064 ( 0.000 1.262 -3.228) 3.466 13.866 ( 0.000 -1.396 1.409) 1.984 13.866 ( 0.000 1.396 1.409) 1.984 15.362 ( 0.000 -0.158 -3.090) 3.094 15.362 ( 0.000 0.158 -3.090) 3.094 16.477 ( 0.000 -0.017 1.030) 1.030 16.477 ( 0.000 0.017 1.030) 1.030 16.650 ( 0.000 -1.954 0.014) 1.954 16.650 ( 0.000 1.954 0.014) 1.954 20.347 ( 0.000 -1.901 1.926) 2.706 20.347 ( 0.000 1.901 1.926) 2.706 20.461 ( 0.000 -1.111 0.728) 1.328 20.461 ( 0.000 1.111 0.728) 1.328 ======================= Grid point 487 (167/168) ======================= q-point: ( 0.20 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 6.823 -3.697 -4.997) 9.230 3.424 ( 6.823 3.697 -4.997) 9.230 3.904 ( -4.858 -5.311 -3.707) 8.096 3.904 ( -4.858 5.311 -3.707) 8.096 5.731 ( 7.149 -1.113 2.433) 7.634 5.731 ( 7.149 1.113 2.433) 7.634 6.104 ( -2.785 -3.938 -0.582) 4.858 6.104 ( -2.785 3.938 -0.582) 4.858 6.657 ( 6.004 -3.171 -1.763) 7.015 6.657 ( 6.004 3.171 -1.763) 7.015 7.690 ( -19.055 -0.328 -0.024) 19.058 7.690 ( -19.055 0.328 -0.024) 19.058 8.380 ( -1.369 -3.797 -1.218) 4.216 8.380 ( -1.369 3.797 -1.218) 4.216 8.675 ( -5.962 -4.623 -10.758) 13.140 8.675 ( -5.962 4.623 -10.758) 13.140 9.189 ( 16.898 -3.026 2.244) 17.313 9.189 ( 16.898 3.026 2.244) 17.313 9.385 ( 7.914 -3.682 -3.809) 9.523 9.385 ( 7.914 3.682 -3.809) 9.523 11.910 ( 2.643 -2.202 3.008) 4.570 11.910 ( 2.643 2.202 3.008) 4.570 12.778 ( -22.881 -1.515 -1.461) 22.978 12.778 ( -22.881 1.515 -1.461) 22.978 14.128 ( 20.851 -1.479 -0.317) 20.906 14.128 ( 20.851 1.479 -0.317) 20.906 15.243 ( -11.538 -0.578 -2.911) 11.914 15.243 ( -11.538 0.578 -2.911) 11.914 16.514 ( 3.334 -0.506 0.919) 3.495 16.514 ( 3.334 0.506 0.919) 3.495 16.648 ( -0.385 -1.794 0.107) 1.838 16.648 ( -0.385 1.794 0.107) 1.838 20.359 ( 1.221 -1.826 1.811) 2.847 20.359 ( 1.221 1.826 1.811) 2.847 20.452 ( -0.953 -1.189 0.842) 1.741 20.452 ( -0.953 1.189 0.842) 1.741 ======================= Grid point 489 (168/168) ======================= q-point: ( 0.40 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( 9.618 -4.769 -4.752) 11.740 3.591 ( 9.618 4.769 -4.752) 11.740 3.772 ( -8.477 -5.382 -4.256) 10.906 3.772 ( -8.477 5.382 -4.256) 10.906 5.892 ( 8.212 -2.565 0.963) 8.656 5.892 ( 8.212 2.565 0.963) 8.657 6.025 ( -5.418 -4.140 -0.277) 6.824 6.025 ( -5.418 4.140 -0.277) 6.824 6.862 ( 15.656 -3.075 0.253) 15.957 6.862 ( 15.656 3.075 0.253) 15.957 7.252 ( -23.285 -1.657 1.534) 23.394 7.252 ( -23.285 1.657 1.534) 23.394 8.430 ( 5.183 -4.645 -6.259) 9.360 8.430 ( 5.183 4.645 -6.259) 9.360 8.549 ( -6.661 -4.921 -8.790) 12.077 8.549 ( -6.661 4.921 -8.790) 12.077 9.456 ( 9.069 -4.165 1.252) 10.058 9.456 ( 9.069 4.165 1.252) 10.058 9.512 ( 3.113 -3.875 -1.494) 5.191 9.512 ( 3.113 3.876 -1.494) 5.191 12.028 ( 10.485 -2.119 1.799) 10.847 12.028 ( 10.485 2.119 1.799) 10.847 12.334 ( -20.668 -1.832 0.243) 20.750 12.334 ( -20.668 1.832 0.243) 20.750 14.551 ( 21.679 -1.314 -1.708) 21.786 14.551 ( 21.679 1.314 -1.708) 21.786 14.945 ( -18.443 -0.995 -2.472) 18.635 14.945 ( -18.443 0.995 -2.472) 18.635 16.583 ( 3.215 -0.954 0.673) 3.421 16.583 ( 3.215 0.954 0.673) 3.421 16.630 ( -1.603 -1.407 0.362) 2.164 16.630 ( -1.603 1.407 0.362) 2.164 20.390 ( 1.835 -1.631 1.511) 2.883 20.390 ( 1.835 1.631 1.511) 2.883 20.426 ( -1.670 -1.389 1.141) 2.453 20.426 ( -1.670 1.389 1.141) 2.453 =================== 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 3/32760 10.0 2169.863 1121.036 790.462 0.000 0.000 -0.000 3/32760 20.0 859.621 814.310 810.508 0.000 0.000 -0.000 3/32760 30.0 374.185 365.299 358.245 0.000 0.000 -0.000 3/32760 40.0 186.707 193.090 182.051 0.000 0.000 -0.000 3/32760 50.0 110.165 122.793 112.309 0.000 0.000 -0.000 3/32760 60.0 73.987 88.174 78.140 0.000 0.000 -0.000 3/32760 70.0 54.192 68.188 58.696 0.000 0.000 -0.000 3/32760 80.0 42.136 55.304 46.466 0.000 0.000 -0.000 3/32760 90.0 34.205 46.358 38.208 0.000 0.000 -0.000 3/32760 100.0 28.677 39.811 32.326 0.000 0.000 0.000 3/32760 110.0 24.645 34.831 27.959 0.000 0.000 0.000 3/32760 120.0 21.595 30.926 24.606 0.000 0.000 0.000 3/32760 130.0 19.217 27.789 21.960 0.000 0.000 0.000 3/32760 140.0 17.316 25.220 19.823 0.000 0.000 0.000 3/32760 150.0 15.764 23.080 18.066 0.000 0.000 0.000 3/32760 160.0 14.473 21.273 16.596 0.000 0.000 0.000 3/32760 170.0 13.384 19.728 15.350 0.000 0.000 0.000 3/32760 180.0 12.452 18.393 14.281 0.000 0.000 0.000 3/32760 190.0 11.646 17.228 13.355 0.000 0.000 0.000 3/32760 200.0 10.941 16.204 12.544 0.000 0.000 0.000 3/32760 210.0 10.320 15.297 11.828 0.000 0.000 0.000 3/32760 220.0 9.768 14.487 11.193 0.000 0.000 0.000 3/32760 230.0 9.275 13.761 10.624 0.000 0.000 0.000 3/32760 240.0 8.830 13.105 10.112 0.000 0.000 0.000 3/32760 250.0 8.428 12.511 9.648 0.000 0.000 0.000 3/32760 260.0 8.062 11.969 9.227 0.000 0.000 0.000 3/32760 270.0 7.728 11.473 8.842 0.000 0.000 0.000 3/32760 280.0 7.421 11.018 8.489 0.000 0.000 0.000 3/32760 290.0 7.138 10.599 8.165 0.000 0.000 0.000 3/32760 300.0 6.877 10.211 7.864 0.000 0.000 0.000 3/32760 310.0 6.635 9.851 7.586 0.000 0.000 0.000 3/32760 320.0 6.410 9.517 7.328 0.000 0.000 0.000 3/32760 330.0 6.200 9.205 7.087 0.000 0.000 0.000 3/32760 340.0 6.004 8.913 6.862 0.000 0.000 0.000 3/32760 350.0 5.820 8.639 6.651 0.000 0.000 0.000 3/32760 360.0 5.647 8.383 6.453 0.000 0.000 0.000 3/32760 370.0 5.485 8.141 6.267 0.000 0.000 0.000 3/32760 380.0 5.332 7.914 6.092 0.000 0.000 0.000 3/32760 390.0 5.187 7.699 5.926 0.000 0.000 0.000 3/32760 400.0 5.050 7.495 5.770 0.000 0.000 0.000 3/32760 410.0 4.921 7.303 5.621 0.000 0.000 0.000 3/32760 420.0 4.798 7.120 5.481 0.000 0.000 0.000 3/32760 430.0 4.681 6.946 5.347 0.000 0.000 0.000 3/32760 440.0 4.569 6.781 5.220 0.000 0.000 0.000 3/32760 450.0 4.464 6.623 5.099 0.000 0.000 0.000 3/32760 460.0 4.363 6.473 4.983 0.000 0.000 0.000 3/32760 470.0 4.266 6.330 4.873 0.000 0.000 0.000 3/32760 480.0 4.174 6.193 4.767 0.000 0.000 0.000 3/32760 490.0 4.086 6.062 4.667 0.000 0.000 0.000 3/32760 500.0 4.001 5.936 4.570 0.000 0.000 0.000 3/32760 510.0 3.920 5.816 4.477 0.000 0.000 0.000 3/32760 520.0 3.842 5.700 4.388 0.000 0.000 0.000 3/32760 530.0 3.767 5.589 4.303 0.000 0.000 0.000 3/32760 540.0 3.696 5.483 4.221 0.000 0.000 0.000 3/32760 550.0 3.627 5.380 4.142 0.000 0.000 0.000 3/32760 560.0 3.560 5.281 4.066 0.000 0.000 0.000 3/32760 570.0 3.496 5.186 3.993 0.000 0.000 0.000 3/32760 580.0 3.434 5.094 3.922 0.000 0.000 0.000 3/32760 590.0 3.374 5.006 3.854 0.000 0.000 0.000 3/32760 600.0 3.317 4.920 3.788 0.000 0.000 0.000 3/32760 610.0 3.261 4.838 3.725 0.000 0.000 0.000 3/32760 620.0 3.208 4.758 3.664 0.000 0.000 0.000 3/32760 630.0 3.156 4.681 3.604 0.000 0.000 0.000 3/32760 640.0 3.105 4.606 3.547 0.000 0.000 0.000 3/32760 650.0 3.057 4.534 3.491 0.000 0.000 0.000 3/32760 660.0 3.009 4.464 3.437 0.000 0.000 0.000 3/32760 670.0 2.964 4.396 3.385 0.000 0.000 0.000 3/32760 680.0 2.919 4.330 3.334 0.000 0.000 0.000 3/32760 690.0 2.876 4.266 3.285 0.000 0.000 0.000 3/32760 700.0 2.834 4.204 3.237 0.000 0.000 0.000 3/32760 710.0 2.794 4.144 3.191 0.000 0.000 0.000 3/32760 720.0 2.754 4.085 3.146 0.000 0.000 0.000 3/32760 730.0 2.716 4.029 3.102 0.000 0.000 0.000 3/32760 740.0 2.679 3.973 3.060 0.000 0.000 0.000 3/32760 750.0 2.643 3.920 3.018 0.000 0.000 0.000 3/32760 760.0 2.607 3.867 2.978 0.000 0.000 0.000 3/32760 770.0 2.573 3.816 2.939 0.000 0.000 0.000 3/32760 780.0 2.540 3.767 2.901 0.000 0.000 0.000 3/32760 790.0 2.507 3.718 2.864 0.000 0.000 0.000 3/32760 800.0 2.475 3.671 2.827 0.000 0.000 0.000 3/32760 810.0 2.444 3.626 2.792 0.000 0.000 0.000 3/32760 820.0 2.414 3.581 2.758 0.000 0.000 0.000 3/32760 830.0 2.385 3.537 2.724 0.000 0.000 0.000 3/32760 840.0 2.356 3.495 2.691 0.000 0.000 0.000 3/32760 850.0 2.328 3.453 2.659 0.000 0.000 0.000 3/32760 860.0 2.301 3.412 2.628 0.000 0.000 0.000 3/32760 870.0 2.274 3.373 2.597 0.000 0.000 0.000 3/32760 880.0 2.248 3.334 2.568 0.000 0.000 0.000 3/32760 890.0 2.222 3.296 2.538 0.000 0.000 0.000 3/32760 900.0 2.197 3.259 2.510 0.000 0.000 0.000 3/32760 910.0 2.173 3.223 2.482 0.000 0.000 0.000 3/32760 920.0 2.149 3.188 2.455 0.000 0.000 0.000 3/32760 930.0 2.126 3.153 2.428 0.000 0.000 0.000 3/32760 940.0 2.103 3.119 2.402 0.000 0.000 0.000 3/32760 950.0 2.081 3.086 2.377 0.000 0.000 0.000 3/32760 960.0 2.059 3.054 2.352 0.000 0.000 0.000 3/32760 970.0 2.037 3.022 2.327 0.000 0.000 0.000 3/32760 980.0 2.016 2.991 2.303 0.000 0.000 0.000 3/32760 990.0 1.996 2.960 2.280 0.000 0.000 0.000 3/32760 1000.0 1.976 2.931 2.257 0.000 0.000 0.000 3/32760 Thermal conductivity related properties were written into "kappa-m51413.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:49:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|