----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:46:03]------------------------- Compiled with OpenMP support (max 48 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: [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.426727050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.602960560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.264696899999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.19697976531295 0.40197954833247 6.941 2 Li 0.50000000000000 0.30302023468705 0.59802045166753 6.941 3 Li 0.50000000000000 0.69697976531295 0.59802045166753 6.941 4 Li 0.00000000000000 0.80302023468705 0.40197954833247 6.941 *5 K 0.50000000000000 0.50000000000000 0.09880018265214 39.098 6 K 0.00000000000000 0.00000000000000 0.90119981734786 39.098 *7 As 0.00000000000000 0.50000000000000 0.66432097338848 74.922 8 As 0.50000000000000 0.00000000000000 0.33567902661152 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.426727050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.602960560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.264696899999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.19697976531295 0.40197954833247 6.941 > 1 2 Li 0.50000000000000 0.30302023468705 0.59802045166753 6.941 > 2 3 Li 0.50000000000000 0.69697976531295 0.59802045166753 6.941 > 3 4 Li 0.00000000000000 0.80302023468705 0.40197954833247 6.941 > 4 *5 K 0.50000000000000 0.50000000000000 0.09880018265214 39.098 > 5 6 K 0.00000000000000 0.00000000000000 0.90119981734786 39.098 > 6 *7 As 0.00000000000000 0.50000000000000 0.66432097338848 74.922 > 7 8 As 0.50000000000000 0.00000000000000 0.33567902661152 74.922 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.280181150000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.205921120000003 0.000000000000000 c 0.000000000000000 0.000000000000000 18.794090699999998 Atomic positions (fractional): *1 Li 0.00000000000000 0.09848988265647 0.13399318277749 6.941 > 1 2 Li 0.33333333333333 0.09848988265647 0.13399318277749 6.941 > 1 3 Li 0.66666666666667 0.09848988265647 0.13399318277749 6.941 > 1 4 Li 0.00000000000000 0.59848988265647 0.13399318277749 6.941 > 1 5 Li 0.33333333333333 0.59848988265647 0.13399318277749 6.941 > 1 6 Li 0.66666666666667 0.59848988265647 0.13399318277749 6.941 > 1 7 Li 0.00000000000000 0.09848988265647 0.46732651611082 6.941 > 1 8 Li 0.33333333333333 0.09848988265647 0.46732651611082 6.941 > 1 9 Li 0.66666666666667 0.09848988265647 0.46732651611082 6.941 > 1 10 Li 0.00000000000000 0.59848988265647 0.46732651611082 6.941 > 1 11 Li 0.33333333333333 0.59848988265647 0.46732651611082 6.941 > 1 12 Li 0.66666666666667 0.59848988265647 0.46732651611082 6.941 > 1 13 Li 0.00000000000000 0.09848988265647 0.80065984944416 6.941 > 1 14 Li 0.33333333333333 0.09848988265647 0.80065984944416 6.941 > 1 15 Li 0.66666666666667 0.09848988265647 0.80065984944416 6.941 > 1 16 Li 0.00000000000000 0.59848988265647 0.80065984944416 6.941 > 1 17 Li 0.33333333333333 0.59848988265647 0.80065984944416 6.941 > 1 18 Li 0.66666666666667 0.59848988265647 0.80065984944416 6.941 > 1 19 Li 0.16666666666667 0.15151011734353 0.19934015055584 6.941 > 2 20 Li 0.50000000000000 0.15151011734353 0.19934015055584 6.941 > 2 21 Li 0.83333333333333 0.15151011734353 0.19934015055584 6.941 > 2 22 Li 0.16666666666667 0.65151011734353 0.19934015055584 6.941 > 2 23 Li 0.50000000000000 0.65151011734353 0.19934015055584 6.941 > 2 24 Li 0.83333333333333 0.65151011734353 0.19934015055584 6.941 > 2 25 Li 0.16666666666667 0.15151011734353 0.53267348388918 6.941 > 2 26 Li 0.50000000000000 0.15151011734353 0.53267348388918 6.941 > 2 27 Li 0.83333333333333 0.15151011734353 0.53267348388918 6.941 > 2 28 Li 0.16666666666667 0.65151011734353 0.53267348388918 6.941 > 2 29 Li 0.50000000000000 0.65151011734353 0.53267348388918 6.941 > 2 30 Li 0.83333333333333 0.65151011734353 0.53267348388918 6.941 > 2 31 Li 0.16666666666667 0.15151011734353 0.86600681722251 6.941 > 2 32 Li 0.50000000000000 0.15151011734353 0.86600681722251 6.941 > 2 33 Li 0.83333333333333 0.15151011734353 0.86600681722251 6.941 > 2 34 Li 0.16666666666667 0.65151011734353 0.86600681722251 6.941 > 2 35 Li 0.50000000000000 0.65151011734353 0.86600681722251 6.941 > 2 36 Li 0.83333333333333 0.65151011734353 0.86600681722251 6.941 > 2 37 Li 0.16666666666667 0.34848988265647 0.19934015055584 6.941 > 3 38 Li 0.50000000000000 0.34848988265647 0.19934015055584 6.941 > 3 39 Li 0.83333333333333 0.34848988265647 0.19934015055584 6.941 > 3 40 Li 0.16666666666667 0.84848988265647 0.19934015055584 6.941 > 3 41 Li 0.50000000000000 0.84848988265647 0.19934015055584 6.941 > 3 42 Li 0.83333333333333 0.84848988265647 0.19934015055584 6.941 > 3 43 Li 0.16666666666667 0.34848988265647 0.53267348388918 6.941 > 3 44 Li 0.50000000000000 0.34848988265647 0.53267348388918 6.941 > 3 45 Li 0.83333333333333 0.34848988265647 0.53267348388918 6.941 > 3 46 Li 0.16666666666667 0.84848988265647 0.53267348388918 6.941 > 3 47 Li 0.50000000000000 0.84848988265647 0.53267348388918 6.941 > 3 48 Li 0.83333333333333 0.84848988265647 0.53267348388918 6.941 > 3 49 Li 0.16666666666667 0.34848988265647 0.86600681722251 6.941 > 3 50 Li 0.50000000000000 0.34848988265647 0.86600681722251 6.941 > 3 51 Li 0.83333333333333 0.34848988265647 0.86600681722251 6.941 > 3 52 Li 0.16666666666667 0.84848988265647 0.86600681722251 6.941 > 3 53 Li 0.50000000000000 0.84848988265647 0.86600681722251 6.941 > 3 54 Li 0.83333333333333 0.84848988265647 0.86600681722251 6.941 > 3 55 Li 0.00000000000000 0.40151011734353 0.13399318277749 6.941 > 4 56 Li 0.33333333333333 0.40151011734353 0.13399318277749 6.941 > 4 57 Li 0.66666666666667 0.40151011734353 0.13399318277749 6.941 > 4 58 Li 0.00000000000000 0.90151011734353 0.13399318277749 6.941 > 4 59 Li 0.33333333333333 0.90151011734353 0.13399318277749 6.941 > 4 60 Li 0.66666666666667 0.90151011734353 0.13399318277749 6.941 > 4 61 Li 0.00000000000000 0.40151011734353 0.46732651611082 6.941 > 4 62 Li 0.33333333333333 0.40151011734353 0.46732651611082 6.941 > 4 63 Li 0.66666666666667 0.40151011734353 0.46732651611082 6.941 > 4 64 Li 0.00000000000000 0.90151011734353 0.46732651611082 6.941 > 4 65 Li 0.33333333333333 0.90151011734353 0.46732651611082 6.941 > 4 66 Li 0.66666666666667 0.90151011734353 0.46732651611082 6.941 > 4 67 Li 0.00000000000000 0.40151011734353 0.80065984944416 6.941 > 4 68 Li 0.33333333333333 0.40151011734353 0.80065984944416 6.941 > 4 69 Li 0.66666666666667 0.40151011734353 0.80065984944416 6.941 > 4 70 Li 0.00000000000000 0.90151011734353 0.80065984944416 6.941 > 4 71 Li 0.33333333333333 0.90151011734353 0.80065984944416 6.941 > 4 72 Li 0.66666666666667 0.90151011734353 0.80065984944416 6.941 > 4 *73 K 0.16666666666667 0.25000000000000 0.03293339421738 39.098 > 5 74 K 0.50000000000000 0.25000000000000 0.03293339421738 39.098 > 5 75 K 0.83333333333333 0.25000000000000 0.03293339421738 39.098 > 5 76 K 0.16666666666667 0.75000000000000 0.03293339421738 39.098 > 5 77 K 0.50000000000000 0.75000000000000 0.03293339421738 39.098 > 5 78 K 0.83333333333333 0.75000000000000 0.03293339421738 39.098 > 5 79 K 0.16666666666667 0.25000000000000 0.36626672755071 39.098 > 5 80 K 0.50000000000000 0.25000000000000 0.36626672755071 39.098 > 5 81 K 0.83333333333333 0.25000000000000 0.36626672755071 39.098 > 5 82 K 0.16666666666667 0.75000000000000 0.36626672755071 39.098 > 5 83 K 0.50000000000000 0.75000000000000 0.36626672755071 39.098 > 5 84 K 0.83333333333333 0.75000000000000 0.36626672755071 39.098 > 5 85 K 0.16666666666667 0.25000000000000 0.69960006088405 39.098 > 5 86 K 0.50000000000000 0.25000000000000 0.69960006088405 39.098 > 5 87 K 0.83333333333333 0.25000000000000 0.69960006088405 39.098 > 5 88 K 0.16666666666667 0.75000000000000 0.69960006088405 39.098 > 5 89 K 0.50000000000000 0.75000000000000 0.69960006088405 39.098 > 5 90 K 0.83333333333333 0.75000000000000 0.69960006088405 39.098 > 5 91 K 0.00000000000000 0.00000000000000 0.30039993911595 39.098 > 6 92 K 0.33333333333333 0.00000000000000 0.30039993911595 39.098 > 6 93 K 0.66666666666667 0.00000000000000 0.30039993911595 39.098 > 6 94 K 0.00000000000000 0.50000000000000 0.30039993911595 39.098 > 6 95 K 0.33333333333333 0.50000000000000 0.30039993911595 39.098 > 6 96 K 0.66666666666667 0.50000000000000 0.30039993911595 39.098 > 6 97 K 0.00000000000000 0.00000000000000 0.63373327244929 39.098 > 6 98 K 0.33333333333333 0.00000000000000 0.63373327244929 39.098 > 6 99 K 0.66666666666667 0.00000000000000 0.63373327244929 39.098 > 6 100 K 0.00000000000000 0.50000000000000 0.63373327244929 39.098 > 6 101 K 0.33333333333333 0.50000000000000 0.63373327244929 39.098 > 6 102 K 0.66666666666667 0.50000000000000 0.63373327244929 39.098 > 6 103 K 0.00000000000000 0.00000000000000 0.96706660578262 39.098 > 6 104 K 0.33333333333333 0.00000000000000 0.96706660578262 39.098 > 6 105 K 0.66666666666667 0.00000000000000 0.96706660578262 39.098 > 6 106 K 0.00000000000000 0.50000000000000 0.96706660578262 39.098 > 6 107 K 0.33333333333333 0.50000000000000 0.96706660578262 39.098 > 6 108 K 0.66666666666667 0.50000000000000 0.96706660578262 39.098 > 6 *109 As 0.00000000000000 0.25000000000000 0.22144032446283 74.922 > 7 110 As 0.33333333333333 0.25000000000000 0.22144032446283 74.922 > 7 111 As 0.66666666666667 0.25000000000000 0.22144032446283 74.922 > 7 112 As 0.00000000000000 0.75000000000000 0.22144032446283 74.922 > 7 113 As 0.33333333333333 0.75000000000000 0.22144032446283 74.922 > 7 114 As 0.66666666666667 0.75000000000000 0.22144032446283 74.922 > 7 115 As 0.00000000000000 0.25000000000000 0.55477365779616 74.922 > 7 116 As 0.33333333333333 0.25000000000000 0.55477365779616 74.922 > 7 117 As 0.66666666666667 0.25000000000000 0.55477365779616 74.922 > 7 118 As 0.00000000000000 0.75000000000000 0.55477365779616 74.922 > 7 119 As 0.33333333333333 0.75000000000000 0.55477365779616 74.922 > 7 120 As 0.66666666666667 0.75000000000000 0.55477365779616 74.922 > 7 121 As 0.00000000000000 0.25000000000000 0.88810699112949 74.922 > 7 122 As 0.33333333333333 0.25000000000000 0.88810699112949 74.922 > 7 123 As 0.66666666666667 0.25000000000000 0.88810699112949 74.922 > 7 124 As 0.00000000000000 0.75000000000000 0.88810699112949 74.922 > 7 125 As 0.33333333333333 0.75000000000000 0.88810699112949 74.922 > 7 126 As 0.66666666666667 0.75000000000000 0.88810699112949 74.922 > 7 127 As 0.16666666666667 0.00000000000000 0.11189300887051 74.922 > 8 128 As 0.50000000000000 0.00000000000000 0.11189300887051 74.922 > 8 129 As 0.83333333333333 0.00000000000000 0.11189300887051 74.922 > 8 130 As 0.16666666666667 0.50000000000000 0.11189300887051 74.922 > 8 131 As 0.50000000000000 0.50000000000000 0.11189300887051 74.922 > 8 132 As 0.83333333333333 0.50000000000000 0.11189300887051 74.922 > 8 133 As 0.16666666666667 0.00000000000000 0.44522634220384 74.922 > 8 134 As 0.50000000000000 0.00000000000000 0.44522634220384 74.922 > 8 135 As 0.83333333333333 0.00000000000000 0.44522634220384 74.922 > 8 136 As 0.16666666666667 0.50000000000000 0.44522634220384 74.922 > 8 137 As 0.50000000000000 0.50000000000000 0.44522634220384 74.922 > 8 138 As 0.83333333333333 0.50000000000000 0.44522634220384 74.922 > 8 139 As 0.16666666666667 0.00000000000000 0.77855967553717 74.922 > 8 140 As 0.50000000000000 0.00000000000000 0.77855967553717 74.922 > 8 141 As 0.83333333333333 0.00000000000000 0.77855967553717 74.922 > 8 142 As 0.16666666666667 0.50000000000000 0.77855967553717 74.922 > 8 143 As 0.50000000000000 0.50000000000000 0.77855967553717 74.922 > 8 144 As 0.83333333333333 0.50000000000000 0.77855967553717 74.922 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5056873 0.0000000 0.0000000 0.0000000 6.9778207 0.0000000 0.0000000 0.0000000 6.1620688 -------------------------- Born effective charges -------------------------- 1 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 0.3763493 0.0000000 0.3610037 0.3171967 2 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 0.3763493 0.0000000 0.3610037 0.3171967 3 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 -0.3763493 0.0000000 -0.3610037 0.3171967 4 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 -0.3763493 0.0000000 -0.3610037 0.3171967 5 K 0.9214992 0.0000000 0.0000000 0.0000000 0.9773875 0.0000000 0.0000000 0.0000000 1.4306808 6 K 0.9214992 0.0000000 0.0000000 0.0000000 0.9773875 0.0000000 0.0000000 0.0000000 1.4306808 7 As -2.6677459 0.0000000 0.0000000 0.0000000 -2.5107736 0.0000000 0.0000000 0.0000000 -2.0650743 8 As -2.6677459 0.0000000 0.0000000 0.0000000 -2.5107736 0.0000000 0.0000000 0.0000000 -2.0650743 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 744 Number of blocks in projector: 744 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (744, 733), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (128, 125), data: True |-- (128, 125), data: True |-- (128, 125), data: True |-- (168, 166), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 160 - Time: 0.620 Solver_block: 160 / 160 - Time: 0.417 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.060 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 744 Number of blocks in projector: 744 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (744, 733), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (128, 125), data: True |-- (128, 125), data: True |-- (128, 125), data: True |-- (168, 166), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 07:46:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:46:15]------------------------- Compiled with OpenMP support (max 48 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): [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.426727050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.602960560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.264696899999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.19697976531295 0.40197954833247 6.941 2 Li 0.50000000000000 0.30302023468705 0.59802045166753 6.941 3 Li 0.50000000000000 0.69697976531295 0.59802045166753 6.941 4 Li 0.00000000000000 0.80302023468705 0.40197954833247 6.941 5 K 0.50000000000000 0.50000000000000 0.09880018265214 39.098 6 K 0.00000000000000 0.00000000000000 0.90119981734786 39.098 7 As 0.00000000000000 0.50000000000000 0.66432097338848 74.922 8 As 0.50000000000000 0.00000000000000 0.33567902661152 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.280181150000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.205921120000003 0.000000000000000 c 0.000000000000000 0.000000000000000 18.794090699999998 Atomic positions (fractional): 1 Li 0.00000000000000 0.09848988265647 0.13399318277749 6.941 > 1 2 Li 0.33333333333333 0.09848988265647 0.13399318277749 6.941 > 1 3 Li 0.66666666666667 0.09848988265647 0.13399318277749 6.941 > 1 4 Li 0.00000000000000 0.59848988265647 0.13399318277749 6.941 > 1 5 Li 0.33333333333333 0.59848988265647 0.13399318277749 6.941 > 1 6 Li 0.66666666666667 0.59848988265647 0.13399318277749 6.941 > 1 7 Li 0.00000000000000 0.09848988265647 0.46732651611082 6.941 > 1 8 Li 0.33333333333333 0.09848988265647 0.46732651611082 6.941 > 1 9 Li 0.66666666666667 0.09848988265647 0.46732651611082 6.941 > 1 10 Li 0.00000000000000 0.59848988265647 0.46732651611082 6.941 > 1 11 Li 0.33333333333333 0.59848988265647 0.46732651611082 6.941 > 1 12 Li 0.66666666666667 0.59848988265647 0.46732651611082 6.941 > 1 13 Li 0.00000000000000 0.09848988265647 0.80065984944416 6.941 > 1 14 Li 0.33333333333333 0.09848988265647 0.80065984944416 6.941 > 1 15 Li 0.66666666666667 0.09848988265647 0.80065984944416 6.941 > 1 16 Li 0.00000000000000 0.59848988265647 0.80065984944416 6.941 > 1 17 Li 0.33333333333333 0.59848988265647 0.80065984944416 6.941 > 1 18 Li 0.66666666666667 0.59848988265647 0.80065984944416 6.941 > 1 19 Li 0.16666666666667 0.15151011734353 0.19934015055584 6.941 > 19 20 Li 0.50000000000000 0.15151011734353 0.19934015055584 6.941 > 19 21 Li 0.83333333333333 0.15151011734353 0.19934015055584 6.941 > 19 22 Li 0.16666666666667 0.65151011734353 0.19934015055584 6.941 > 19 23 Li 0.50000000000000 0.65151011734353 0.19934015055584 6.941 > 19 24 Li 0.83333333333333 0.65151011734353 0.19934015055584 6.941 > 19 25 Li 0.16666666666667 0.15151011734353 0.53267348388918 6.941 > 19 26 Li 0.50000000000000 0.15151011734353 0.53267348388918 6.941 > 19 27 Li 0.83333333333333 0.15151011734353 0.53267348388918 6.941 > 19 28 Li 0.16666666666667 0.65151011734353 0.53267348388918 6.941 > 19 29 Li 0.50000000000000 0.65151011734353 0.53267348388918 6.941 > 19 30 Li 0.83333333333333 0.65151011734353 0.53267348388918 6.941 > 19 31 Li 0.16666666666667 0.15151011734353 0.86600681722251 6.941 > 19 32 Li 0.50000000000000 0.15151011734353 0.86600681722251 6.941 > 19 33 Li 0.83333333333333 0.15151011734353 0.86600681722251 6.941 > 19 34 Li 0.16666666666667 0.65151011734353 0.86600681722251 6.941 > 19 35 Li 0.50000000000000 0.65151011734353 0.86600681722251 6.941 > 19 36 Li 0.83333333333333 0.65151011734353 0.86600681722251 6.941 > 19 37 Li 0.16666666666667 0.34848988265647 0.19934015055584 6.941 > 37 38 Li 0.50000000000000 0.34848988265647 0.19934015055584 6.941 > 37 39 Li 0.83333333333333 0.34848988265647 0.19934015055584 6.941 > 37 40 Li 0.16666666666667 0.84848988265647 0.19934015055584 6.941 > 37 41 Li 0.50000000000000 0.84848988265647 0.19934015055584 6.941 > 37 42 Li 0.83333333333333 0.84848988265647 0.19934015055584 6.941 > 37 43 Li 0.16666666666667 0.34848988265647 0.53267348388918 6.941 > 37 44 Li 0.50000000000000 0.34848988265647 0.53267348388918 6.941 > 37 45 Li 0.83333333333333 0.34848988265647 0.53267348388918 6.941 > 37 46 Li 0.16666666666667 0.84848988265647 0.53267348388918 6.941 > 37 47 Li 0.50000000000000 0.84848988265647 0.53267348388918 6.941 > 37 48 Li 0.83333333333333 0.84848988265647 0.53267348388918 6.941 > 37 49 Li 0.16666666666667 0.34848988265647 0.86600681722251 6.941 > 37 50 Li 0.50000000000000 0.34848988265647 0.86600681722251 6.941 > 37 51 Li 0.83333333333333 0.34848988265647 0.86600681722251 6.941 > 37 52 Li 0.16666666666667 0.84848988265647 0.86600681722251 6.941 > 37 53 Li 0.50000000000000 0.84848988265647 0.86600681722251 6.941 > 37 54 Li 0.83333333333333 0.84848988265647 0.86600681722251 6.941 > 37 55 Li 0.00000000000000 0.40151011734353 0.13399318277749 6.941 > 55 56 Li 0.33333333333333 0.40151011734353 0.13399318277749 6.941 > 55 57 Li 0.66666666666667 0.40151011734353 0.13399318277749 6.941 > 55 58 Li 0.00000000000000 0.90151011734353 0.13399318277749 6.941 > 55 59 Li 0.33333333333333 0.90151011734353 0.13399318277749 6.941 > 55 60 Li 0.66666666666667 0.90151011734353 0.13399318277749 6.941 > 55 61 Li 0.00000000000000 0.40151011734353 0.46732651611082 6.941 > 55 62 Li 0.33333333333333 0.40151011734353 0.46732651611082 6.941 > 55 63 Li 0.66666666666667 0.40151011734353 0.46732651611082 6.941 > 55 64 Li 0.00000000000000 0.90151011734353 0.46732651611082 6.941 > 55 65 Li 0.33333333333333 0.90151011734353 0.46732651611082 6.941 > 55 66 Li 0.66666666666667 0.90151011734353 0.46732651611082 6.941 > 55 67 Li 0.00000000000000 0.40151011734353 0.80065984944416 6.941 > 55 68 Li 0.33333333333333 0.40151011734353 0.80065984944416 6.941 > 55 69 Li 0.66666666666667 0.40151011734353 0.80065984944416 6.941 > 55 70 Li 0.00000000000000 0.90151011734353 0.80065984944416 6.941 > 55 71 Li 0.33333333333333 0.90151011734353 0.80065984944416 6.941 > 55 72 Li 0.66666666666667 0.90151011734353 0.80065984944416 6.941 > 55 73 K 0.16666666666667 0.25000000000000 0.03293339421738 39.098 > 73 74 K 0.50000000000000 0.25000000000000 0.03293339421738 39.098 > 73 75 K 0.83333333333333 0.25000000000000 0.03293339421738 39.098 > 73 76 K 0.16666666666667 0.75000000000000 0.03293339421738 39.098 > 73 77 K 0.50000000000000 0.75000000000000 0.03293339421738 39.098 > 73 78 K 0.83333333333333 0.75000000000000 0.03293339421738 39.098 > 73 79 K 0.16666666666667 0.25000000000000 0.36626672755071 39.098 > 73 80 K 0.50000000000000 0.25000000000000 0.36626672755071 39.098 > 73 81 K 0.83333333333333 0.25000000000000 0.36626672755071 39.098 > 73 82 K 0.16666666666667 0.75000000000000 0.36626672755071 39.098 > 73 83 K 0.50000000000000 0.75000000000000 0.36626672755071 39.098 > 73 84 K 0.83333333333333 0.75000000000000 0.36626672755071 39.098 > 73 85 K 0.16666666666667 0.25000000000000 0.69960006088405 39.098 > 73 86 K 0.50000000000000 0.25000000000000 0.69960006088405 39.098 > 73 87 K 0.83333333333333 0.25000000000000 0.69960006088405 39.098 > 73 88 K 0.16666666666667 0.75000000000000 0.69960006088405 39.098 > 73 89 K 0.50000000000000 0.75000000000000 0.69960006088405 39.098 > 73 90 K 0.83333333333333 0.75000000000000 0.69960006088405 39.098 > 73 91 K 0.00000000000000 0.00000000000000 0.30039993911595 39.098 > 91 92 K 0.33333333333333 0.00000000000000 0.30039993911595 39.098 > 91 93 K 0.66666666666667 0.00000000000000 0.30039993911595 39.098 > 91 94 K 0.00000000000000 0.50000000000000 0.30039993911595 39.098 > 91 95 K 0.33333333333333 0.50000000000000 0.30039993911595 39.098 > 91 96 K 0.66666666666667 0.50000000000000 0.30039993911595 39.098 > 91 97 K 0.00000000000000 0.00000000000000 0.63373327244929 39.098 > 91 98 K 0.33333333333333 0.00000000000000 0.63373327244929 39.098 > 91 99 K 0.66666666666667 0.00000000000000 0.63373327244929 39.098 > 91 100 K 0.00000000000000 0.50000000000000 0.63373327244929 39.098 > 91 101 K 0.33333333333333 0.50000000000000 0.63373327244929 39.098 > 91 102 K 0.66666666666667 0.50000000000000 0.63373327244929 39.098 > 91 103 K 0.00000000000000 0.00000000000000 0.96706660578262 39.098 > 91 104 K 0.33333333333333 0.00000000000000 0.96706660578262 39.098 > 91 105 K 0.66666666666667 0.00000000000000 0.96706660578262 39.098 > 91 106 K 0.00000000000000 0.50000000000000 0.96706660578262 39.098 > 91 107 K 0.33333333333333 0.50000000000000 0.96706660578262 39.098 > 91 108 K 0.66666666666667 0.50000000000000 0.96706660578262 39.098 > 91 109 As 0.00000000000000 0.25000000000000 0.22144032446283 74.922 > 109 110 As 0.33333333333333 0.25000000000000 0.22144032446283 74.922 > 109 111 As 0.66666666666667 0.25000000000000 0.22144032446283 74.922 > 109 112 As 0.00000000000000 0.75000000000000 0.22144032446283 74.922 > 109 113 As 0.33333333333333 0.75000000000000 0.22144032446283 74.922 > 109 114 As 0.66666666666667 0.75000000000000 0.22144032446283 74.922 > 109 115 As 0.00000000000000 0.25000000000000 0.55477365779616 74.922 > 109 116 As 0.33333333333333 0.25000000000000 0.55477365779616 74.922 > 109 117 As 0.66666666666667 0.25000000000000 0.55477365779616 74.922 > 109 118 As 0.00000000000000 0.75000000000000 0.55477365779616 74.922 > 109 119 As 0.33333333333333 0.75000000000000 0.55477365779616 74.922 > 109 120 As 0.66666666666667 0.75000000000000 0.55477365779616 74.922 > 109 121 As 0.00000000000000 0.25000000000000 0.88810699112949 74.922 > 109 122 As 0.33333333333333 0.25000000000000 0.88810699112949 74.922 > 109 123 As 0.66666666666667 0.25000000000000 0.88810699112949 74.922 > 109 124 As 0.00000000000000 0.75000000000000 0.88810699112949 74.922 > 109 125 As 0.33333333333333 0.75000000000000 0.88810699112949 74.922 > 109 126 As 0.66666666666667 0.75000000000000 0.88810699112949 74.922 > 109 127 As 0.16666666666667 0.00000000000000 0.11189300887051 74.922 > 127 128 As 0.50000000000000 0.00000000000000 0.11189300887051 74.922 > 127 129 As 0.83333333333333 0.00000000000000 0.11189300887051 74.922 > 127 130 As 0.16666666666667 0.50000000000000 0.11189300887051 74.922 > 127 131 As 0.50000000000000 0.50000000000000 0.11189300887051 74.922 > 127 132 As 0.83333333333333 0.50000000000000 0.11189300887051 74.922 > 127 133 As 0.16666666666667 0.00000000000000 0.44522634220384 74.922 > 127 134 As 0.50000000000000 0.00000000000000 0.44522634220384 74.922 > 127 135 As 0.83333333333333 0.00000000000000 0.44522634220384 74.922 > 127 136 As 0.16666666666667 0.50000000000000 0.44522634220384 74.922 > 127 137 As 0.50000000000000 0.50000000000000 0.44522634220384 74.922 > 127 138 As 0.83333333333333 0.50000000000000 0.44522634220384 74.922 > 127 139 As 0.16666666666667 0.00000000000000 0.77855967553717 74.922 > 127 140 As 0.50000000000000 0.00000000000000 0.77855967553717 74.922 > 127 141 As 0.83333333333333 0.00000000000000 0.77855967553717 74.922 > 127 142 As 0.16666666666667 0.50000000000000 0.77855967553717 74.922 > 127 143 As 0.50000000000000 0.50000000000000 0.77855967553717 74.922 > 127 144 As 0.83333333333333 0.50000000000000 0.77855967553717 74.922 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5056873 0.0000000 0.0000000 0.0000000 6.9778207 0.0000000 0.0000000 0.0000000 6.1620688 -------------------------- Born effective charges -------------------------- 1 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 0.3763493 0.0000000 0.3610037 0.3171967 2 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 0.3763493 0.0000000 0.3610037 0.3171967 3 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 -0.3763493 0.0000000 -0.3610037 0.3171967 4 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 -0.3763493 0.0000000 -0.3610037 0.3171967 5 K 0.9214992 0.0000000 0.0000000 0.0000000 0.9773875 0.0000000 0.0000000 0.0000000 1.4306808 6 K 0.9214992 0.0000000 0.0000000 0.0000000 0.9773875 0.0000000 0.0000000 0.0000000 1.4306808 7 As -2.6677459 0.0000000 0.0000000 0.0000000 -2.5107736 0.0000000 0.0000000 0.0000000 -2.0650743 8 As -2.6677459 0.0000000 0.0000000 0.0000000 -2.5107736 0.0000000 0.0000000 0.0000000 -2.0650743 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, 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 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:46:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:46:29]------------------------- Compiled with OpenMP support (max 48 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): [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.426727050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.602960560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.264696899999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.19697976531295 0.40197954833247 6.941 2 Li 0.50000000000000 0.30302023468705 0.59802045166753 6.941 3 Li 0.50000000000000 0.69697976531295 0.59802045166753 6.941 4 Li 0.00000000000000 0.80302023468705 0.40197954833247 6.941 5 K 0.50000000000000 0.50000000000000 0.09880018265214 39.098 6 K 0.00000000000000 0.00000000000000 0.90119981734786 39.098 7 As 0.00000000000000 0.50000000000000 0.66432097338848 74.922 8 As 0.50000000000000 0.00000000000000 0.33567902661152 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.280181150000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.205921120000003 0.000000000000000 c 0.000000000000000 0.000000000000000 18.794090699999998 Atomic positions (fractional): 1 Li 0.00000000000000 0.09848988265647 0.13399318277749 6.941 > 1 2 Li 0.33333333333333 0.09848988265647 0.13399318277749 6.941 > 1 3 Li 0.66666666666667 0.09848988265647 0.13399318277749 6.941 > 1 4 Li 0.00000000000000 0.59848988265647 0.13399318277749 6.941 > 1 5 Li 0.33333333333333 0.59848988265647 0.13399318277749 6.941 > 1 6 Li 0.66666666666667 0.59848988265647 0.13399318277749 6.941 > 1 7 Li 0.00000000000000 0.09848988265647 0.46732651611082 6.941 > 1 8 Li 0.33333333333333 0.09848988265647 0.46732651611082 6.941 > 1 9 Li 0.66666666666667 0.09848988265647 0.46732651611082 6.941 > 1 10 Li 0.00000000000000 0.59848988265647 0.46732651611082 6.941 > 1 11 Li 0.33333333333333 0.59848988265647 0.46732651611082 6.941 > 1 12 Li 0.66666666666667 0.59848988265647 0.46732651611082 6.941 > 1 13 Li 0.00000000000000 0.09848988265647 0.80065984944416 6.941 > 1 14 Li 0.33333333333333 0.09848988265647 0.80065984944416 6.941 > 1 15 Li 0.66666666666667 0.09848988265647 0.80065984944416 6.941 > 1 16 Li 0.00000000000000 0.59848988265647 0.80065984944416 6.941 > 1 17 Li 0.33333333333333 0.59848988265647 0.80065984944416 6.941 > 1 18 Li 0.66666666666667 0.59848988265647 0.80065984944416 6.941 > 1 19 Li 0.16666666666667 0.15151011734353 0.19934015055584 6.941 > 19 20 Li 0.50000000000000 0.15151011734353 0.19934015055584 6.941 > 19 21 Li 0.83333333333333 0.15151011734353 0.19934015055584 6.941 > 19 22 Li 0.16666666666667 0.65151011734353 0.19934015055584 6.941 > 19 23 Li 0.50000000000000 0.65151011734353 0.19934015055584 6.941 > 19 24 Li 0.83333333333333 0.65151011734353 0.19934015055584 6.941 > 19 25 Li 0.16666666666667 0.15151011734353 0.53267348388918 6.941 > 19 26 Li 0.50000000000000 0.15151011734353 0.53267348388918 6.941 > 19 27 Li 0.83333333333333 0.15151011734353 0.53267348388918 6.941 > 19 28 Li 0.16666666666667 0.65151011734353 0.53267348388918 6.941 > 19 29 Li 0.50000000000000 0.65151011734353 0.53267348388918 6.941 > 19 30 Li 0.83333333333333 0.65151011734353 0.53267348388918 6.941 > 19 31 Li 0.16666666666667 0.15151011734353 0.86600681722251 6.941 > 19 32 Li 0.50000000000000 0.15151011734353 0.86600681722251 6.941 > 19 33 Li 0.83333333333333 0.15151011734353 0.86600681722251 6.941 > 19 34 Li 0.16666666666667 0.65151011734353 0.86600681722251 6.941 > 19 35 Li 0.50000000000000 0.65151011734353 0.86600681722251 6.941 > 19 36 Li 0.83333333333333 0.65151011734353 0.86600681722251 6.941 > 19 37 Li 0.16666666666667 0.34848988265647 0.19934015055584 6.941 > 37 38 Li 0.50000000000000 0.34848988265647 0.19934015055584 6.941 > 37 39 Li 0.83333333333333 0.34848988265647 0.19934015055584 6.941 > 37 40 Li 0.16666666666667 0.84848988265647 0.19934015055584 6.941 > 37 41 Li 0.50000000000000 0.84848988265647 0.19934015055584 6.941 > 37 42 Li 0.83333333333333 0.84848988265647 0.19934015055584 6.941 > 37 43 Li 0.16666666666667 0.34848988265647 0.53267348388918 6.941 > 37 44 Li 0.50000000000000 0.34848988265647 0.53267348388918 6.941 > 37 45 Li 0.83333333333333 0.34848988265647 0.53267348388918 6.941 > 37 46 Li 0.16666666666667 0.84848988265647 0.53267348388918 6.941 > 37 47 Li 0.50000000000000 0.84848988265647 0.53267348388918 6.941 > 37 48 Li 0.83333333333333 0.84848988265647 0.53267348388918 6.941 > 37 49 Li 0.16666666666667 0.34848988265647 0.86600681722251 6.941 > 37 50 Li 0.50000000000000 0.34848988265647 0.86600681722251 6.941 > 37 51 Li 0.83333333333333 0.34848988265647 0.86600681722251 6.941 > 37 52 Li 0.16666666666667 0.84848988265647 0.86600681722251 6.941 > 37 53 Li 0.50000000000000 0.84848988265647 0.86600681722251 6.941 > 37 54 Li 0.83333333333333 0.84848988265647 0.86600681722251 6.941 > 37 55 Li 0.00000000000000 0.40151011734353 0.13399318277749 6.941 > 55 56 Li 0.33333333333333 0.40151011734353 0.13399318277749 6.941 > 55 57 Li 0.66666666666667 0.40151011734353 0.13399318277749 6.941 > 55 58 Li 0.00000000000000 0.90151011734353 0.13399318277749 6.941 > 55 59 Li 0.33333333333333 0.90151011734353 0.13399318277749 6.941 > 55 60 Li 0.66666666666667 0.90151011734353 0.13399318277749 6.941 > 55 61 Li 0.00000000000000 0.40151011734353 0.46732651611082 6.941 > 55 62 Li 0.33333333333333 0.40151011734353 0.46732651611082 6.941 > 55 63 Li 0.66666666666667 0.40151011734353 0.46732651611082 6.941 > 55 64 Li 0.00000000000000 0.90151011734353 0.46732651611082 6.941 > 55 65 Li 0.33333333333333 0.90151011734353 0.46732651611082 6.941 > 55 66 Li 0.66666666666667 0.90151011734353 0.46732651611082 6.941 > 55 67 Li 0.00000000000000 0.40151011734353 0.80065984944416 6.941 > 55 68 Li 0.33333333333333 0.40151011734353 0.80065984944416 6.941 > 55 69 Li 0.66666666666667 0.40151011734353 0.80065984944416 6.941 > 55 70 Li 0.00000000000000 0.90151011734353 0.80065984944416 6.941 > 55 71 Li 0.33333333333333 0.90151011734353 0.80065984944416 6.941 > 55 72 Li 0.66666666666667 0.90151011734353 0.80065984944416 6.941 > 55 73 K 0.16666666666667 0.25000000000000 0.03293339421738 39.098 > 73 74 K 0.50000000000000 0.25000000000000 0.03293339421738 39.098 > 73 75 K 0.83333333333333 0.25000000000000 0.03293339421738 39.098 > 73 76 K 0.16666666666667 0.75000000000000 0.03293339421738 39.098 > 73 77 K 0.50000000000000 0.75000000000000 0.03293339421738 39.098 > 73 78 K 0.83333333333333 0.75000000000000 0.03293339421738 39.098 > 73 79 K 0.16666666666667 0.25000000000000 0.36626672755071 39.098 > 73 80 K 0.50000000000000 0.25000000000000 0.36626672755071 39.098 > 73 81 K 0.83333333333333 0.25000000000000 0.36626672755071 39.098 > 73 82 K 0.16666666666667 0.75000000000000 0.36626672755071 39.098 > 73 83 K 0.50000000000000 0.75000000000000 0.36626672755071 39.098 > 73 84 K 0.83333333333333 0.75000000000000 0.36626672755071 39.098 > 73 85 K 0.16666666666667 0.25000000000000 0.69960006088405 39.098 > 73 86 K 0.50000000000000 0.25000000000000 0.69960006088405 39.098 > 73 87 K 0.83333333333333 0.25000000000000 0.69960006088405 39.098 > 73 88 K 0.16666666666667 0.75000000000000 0.69960006088405 39.098 > 73 89 K 0.50000000000000 0.75000000000000 0.69960006088405 39.098 > 73 90 K 0.83333333333333 0.75000000000000 0.69960006088405 39.098 > 73 91 K 0.00000000000000 0.00000000000000 0.30039993911595 39.098 > 91 92 K 0.33333333333333 0.00000000000000 0.30039993911595 39.098 > 91 93 K 0.66666666666667 0.00000000000000 0.30039993911595 39.098 > 91 94 K 0.00000000000000 0.50000000000000 0.30039993911595 39.098 > 91 95 K 0.33333333333333 0.50000000000000 0.30039993911595 39.098 > 91 96 K 0.66666666666667 0.50000000000000 0.30039993911595 39.098 > 91 97 K 0.00000000000000 0.00000000000000 0.63373327244929 39.098 > 91 98 K 0.33333333333333 0.00000000000000 0.63373327244929 39.098 > 91 99 K 0.66666666666667 0.00000000000000 0.63373327244929 39.098 > 91 100 K 0.00000000000000 0.50000000000000 0.63373327244929 39.098 > 91 101 K 0.33333333333333 0.50000000000000 0.63373327244929 39.098 > 91 102 K 0.66666666666667 0.50000000000000 0.63373327244929 39.098 > 91 103 K 0.00000000000000 0.00000000000000 0.96706660578262 39.098 > 91 104 K 0.33333333333333 0.00000000000000 0.96706660578262 39.098 > 91 105 K 0.66666666666667 0.00000000000000 0.96706660578262 39.098 > 91 106 K 0.00000000000000 0.50000000000000 0.96706660578262 39.098 > 91 107 K 0.33333333333333 0.50000000000000 0.96706660578262 39.098 > 91 108 K 0.66666666666667 0.50000000000000 0.96706660578262 39.098 > 91 109 As 0.00000000000000 0.25000000000000 0.22144032446283 74.922 > 109 110 As 0.33333333333333 0.25000000000000 0.22144032446283 74.922 > 109 111 As 0.66666666666667 0.25000000000000 0.22144032446283 74.922 > 109 112 As 0.00000000000000 0.75000000000000 0.22144032446283 74.922 > 109 113 As 0.33333333333333 0.75000000000000 0.22144032446283 74.922 > 109 114 As 0.66666666666667 0.75000000000000 0.22144032446283 74.922 > 109 115 As 0.00000000000000 0.25000000000000 0.55477365779616 74.922 > 109 116 As 0.33333333333333 0.25000000000000 0.55477365779616 74.922 > 109 117 As 0.66666666666667 0.25000000000000 0.55477365779616 74.922 > 109 118 As 0.00000000000000 0.75000000000000 0.55477365779616 74.922 > 109 119 As 0.33333333333333 0.75000000000000 0.55477365779616 74.922 > 109 120 As 0.66666666666667 0.75000000000000 0.55477365779616 74.922 > 109 121 As 0.00000000000000 0.25000000000000 0.88810699112949 74.922 > 109 122 As 0.33333333333333 0.25000000000000 0.88810699112949 74.922 > 109 123 As 0.66666666666667 0.25000000000000 0.88810699112949 74.922 > 109 124 As 0.00000000000000 0.75000000000000 0.88810699112949 74.922 > 109 125 As 0.33333333333333 0.75000000000000 0.88810699112949 74.922 > 109 126 As 0.66666666666667 0.75000000000000 0.88810699112949 74.922 > 109 127 As 0.16666666666667 0.00000000000000 0.11189300887051 74.922 > 127 128 As 0.50000000000000 0.00000000000000 0.11189300887051 74.922 > 127 129 As 0.83333333333333 0.00000000000000 0.11189300887051 74.922 > 127 130 As 0.16666666666667 0.50000000000000 0.11189300887051 74.922 > 127 131 As 0.50000000000000 0.50000000000000 0.11189300887051 74.922 > 127 132 As 0.83333333333333 0.50000000000000 0.11189300887051 74.922 > 127 133 As 0.16666666666667 0.00000000000000 0.44522634220384 74.922 > 127 134 As 0.50000000000000 0.00000000000000 0.44522634220384 74.922 > 127 135 As 0.83333333333333 0.00000000000000 0.44522634220384 74.922 > 127 136 As 0.16666666666667 0.50000000000000 0.44522634220384 74.922 > 127 137 As 0.50000000000000 0.50000000000000 0.44522634220384 74.922 > 127 138 As 0.83333333333333 0.50000000000000 0.44522634220384 74.922 > 127 139 As 0.16666666666667 0.00000000000000 0.77855967553717 74.922 > 127 140 As 0.50000000000000 0.00000000000000 0.77855967553717 74.922 > 127 141 As 0.83333333333333 0.00000000000000 0.77855967553717 74.922 > 127 142 As 0.16666666666667 0.50000000000000 0.77855967553717 74.922 > 127 143 As 0.50000000000000 0.50000000000000 0.77855967553717 74.922 > 127 144 As 0.83333333333333 0.50000000000000 0.77855967553717 74.922 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.5056873 0.0000000 0.0000000 0.0000000 6.9778207 0.0000000 0.0000000 0.0000000 6.1620688 -------------------------- Born effective charges -------------------------- 1 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 0.3763493 0.0000000 0.3610037 0.3171967 2 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 0.3763493 0.0000000 0.3610037 0.3171967 3 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 -0.3763493 0.0000000 -0.3610037 0.3171967 4 Li 0.8731233 0.0000000 0.0000000 0.0000000 0.7666931 -0.3763493 0.0000000 -0.3610037 0.3171967 5 K 0.9214992 0.0000000 0.0000000 0.0000000 0.9773875 0.0000000 0.0000000 0.0000000 1.4306808 6 K 0.9214992 0.0000000 0.0000000 0.0000000 0.9773875 0.0000000 0.0000000 0.0000000 1.4306808 7 As -2.6677459 0.0000000 0.0000000 0.0000000 -2.5107736 0.0000000 0.0000000 0.0000000 -2.0650743 8 As -2.6677459 0.0000000 0.0000000 0.0000000 -2.5107736 0.0000000 0.0000000 0.0000000 -2.0650743 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 11 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 307, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.812 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 20.291 0.000 0.000) 20.291 0.681 ( 32.756 0.000 0.000) 32.756 1.100 ( 50.544 0.000 0.000) 50.544 2.377 ( 2.602 0.000 0.000) 2.602 2.526 ( 3.466 0.000 0.000) 3.466 2.691 ( 1.231 0.000 0.000) 1.231 3.016 ( 0.260 0.000 0.000) 0.260 3.050 ( -0.774 0.000 0.000) 0.774 3.084 ( -0.570 0.000 0.000) 0.570 3.174 ( 1.835 0.000 0.000) 1.835 3.759 ( 8.225 0.000 0.000) 8.225 4.245 ( -2.260 0.000 0.000) 2.260 6.015 ( -0.054 0.000 0.000) 0.054 7.275 ( -3.255 0.000 0.000) 3.255 8.184 ( 6.065 0.000 0.000) 6.065 8.506 ( 0.684 0.000 0.000) 0.684 9.022 ( -1.019 0.000 0.000) 1.019 9.455 ( -7.058 0.000 0.000) 7.058 10.342 ( -1.553 0.000 0.000) 1.553 10.541 ( 4.168 0.000 0.000) 4.168 12.810 ( -0.400 0.000 0.000) 0.400 12.810 ( 9.832 0.000 0.000) 9.832 12.920 ( -19.109 0.000 0.000) 19.109 13.491 ( 8.650 0.000 0.000) 8.650 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 21.422 0.000 0.000) 21.422 1.335 ( 30.693 0.000 0.000) 30.693 1.974 ( 30.935 0.000 0.000) 30.935 2.445 ( 3.702 0.000 0.000) 3.702 2.631 ( 6.694 0.000 0.000) 6.694 2.756 ( 5.672 0.000 0.000) 5.672 3.008 ( -0.987 0.000 0.000) 0.987 3.042 ( 0.175 0.000 0.000) 0.175 3.064 ( -1.459 0.000 0.000) 1.459 3.292 ( 11.886 0.000 0.000) 11.886 3.981 ( 12.766 0.000 0.000) 12.766 4.179 ( -4.174 0.000 0.000) 4.174 6.028 ( 1.601 0.000 0.000) 1.601 7.177 ( -6.248 0.000 0.000) 6.248 8.327 ( 6.845 0.000 0.000) 6.845 8.513 ( -0.185 0.000 0.000) 0.185 8.986 ( -2.652 0.000 0.000) 2.652 9.258 ( -11.531 0.000 0.000) 11.531 10.330 ( 1.058 0.000 0.000) 1.058 10.686 ( 10.300 0.000 0.000) 10.300 12.488 ( -22.554 0.000 0.000) 22.554 12.783 ( -2.560 0.000 0.000) 2.560 13.066 ( 14.021 0.000 0.000) 14.021 13.625 ( 4.732 0.000 0.000) 4.732 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 21.217 0.000 0.000) 21.217 1.925 ( 26.186 0.000 0.000) 26.186 2.316 ( 5.876 0.000 0.000) 5.876 2.517 ( 3.140 0.000 0.000) 3.140 2.801 ( 10.013 0.000 0.000) 10.013 2.841 ( -0.654 0.000 0.000) 0.654 3.022 ( 3.309 0.000 0.000) 3.309 3.023 ( -2.597 0.000 0.000) 2.597 3.060 ( 1.535 0.000 0.000) 1.535 3.721 ( 27.704 0.000 0.000) 27.704 4.071 ( -6.511 0.000 0.000) 6.511 4.259 ( 13.675 0.000 0.000) 13.675 6.091 ( 4.729 0.000 0.000) 4.729 7.023 ( -8.629 0.000 0.000) 8.629 8.436 ( 3.475 0.000 0.000) 3.475 8.496 ( -1.326 0.000 0.000) 1.326 8.908 ( -4.989 0.000 0.000) 4.989 9.006 ( -12.459 0.000 0.000) 12.459 10.402 ( 6.037 0.000 0.000) 6.037 10.970 ( 17.109 0.000 0.000) 17.109 12.013 ( -23.130 0.000 0.000) 23.130 12.691 ( -6.757 0.000 0.000) 6.757 13.348 ( 12.696 0.000 0.000) 12.696 13.697 ( 2.472 0.000 0.000) 2.472 ======================= Grid point 4 (5/150) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 18.827 0.000 0.000) 18.827 2.350 ( -1.407 0.000 0.000) 1.407 2.387 ( 18.363 0.000 0.000) 18.363 2.571 ( 2.141 0.000 0.000) 2.141 2.767 ( -5.049 0.000 0.000) 5.049 2.955 ( -4.034 0.000 0.000) 4.034 3.048 ( 14.015 0.000 0.000) 14.015 3.094 ( 2.860 0.000 0.000) 2.860 3.098 ( 1.907 0.000 0.000) 1.907 3.905 ( -9.796 0.000 0.000) 9.796 4.271 ( 23.146 0.000 0.000) 23.146 4.518 ( 10.857 0.000 0.000) 10.857 6.222 ( 7.871 0.000 0.000) 7.871 6.829 ( -10.067 0.000 0.000) 10.067 8.477 ( 0.001 0.000 0.000) 0.001 8.478 ( 1.151 0.000 0.000) 1.151 8.768 ( -10.298 0.000 0.000) 10.298 8.782 ( -7.082 0.000 0.000) 7.082 10.574 ( 10.525 0.000 0.000) 10.525 11.368 ( 20.995 0.000 0.000) 20.995 11.556 ( -21.100 0.000 0.000) 21.100 12.498 ( -12.082 0.000 0.000) 12.082 13.568 ( 8.490 0.000 0.000) 8.490 13.733 ( 1.116 0.000 0.000) 1.116 ======================= Grid point 5 (6/150) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 14.209 0.000 0.000) 14.209 2.262 ( -7.547 0.000 0.000) 7.547 2.611 ( 2.070 0.000 0.000) 2.070 2.669 ( -3.883 0.000 0.000) 3.883 2.680 ( 10.710 0.000 0.000) 10.710 2.851 ( -6.369 0.000 0.000) 6.369 3.129 ( 0.949 0.000 0.000) 0.949 3.132 ( 0.823 0.000 0.000) 0.823 3.361 ( 15.749 0.000 0.000) 15.749 3.666 ( -13.448 0.000 0.000) 13.448 4.612 ( 9.561 0.000 0.000) 9.561 4.671 ( 3.175 0.000 0.000) 3.175 6.406 ( 9.831 0.000 0.000) 9.831 6.617 ( -10.475 0.000 0.000) 10.475 8.508 ( 2.437 0.000 0.000) 2.437 8.515 ( 3.915 0.000 0.000) 3.915 8.596 ( -6.287 0.000 0.000) 6.287 8.632 ( -7.059 0.000 0.000) 7.059 10.828 ( 14.185 0.000 0.000) 14.185 11.156 ( -17.737 0.000 0.000) 17.737 11.803 ( 20.680 0.000 0.000) 20.680 12.196 ( -17.205 0.000 0.000) 17.205 13.694 ( 3.961 0.000 0.000) 3.961 13.739 ( -0.694 0.000 0.000) 0.694 ======================= Grid point 11 (7/150) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 25.120 0.000) 25.120 0.623 ( 0.000 32.323 0.000) 32.323 0.656 ( 0.000 33.370 0.000) 33.370 2.336 ( 0.000 -1.378 0.000) 1.378 2.355 ( 0.000 1.675 0.000) 1.675 2.781 ( 0.000 -8.103 0.000) 8.103 2.972 ( 0.000 -5.397 0.000) 5.397 3.081 ( 0.000 -1.115 0.000) 1.115 3.154 ( 0.000 2.727 0.000) 2.727 3.213 ( 0.000 8.230 0.000) 8.230 3.595 ( 0.000 -7.793 0.000) 7.793 4.227 ( 0.000 -4.391 0.000) 4.391 6.093 ( 0.000 7.767 0.000) 7.767 7.310 ( 0.000 -1.365 0.000) 1.365 8.174 ( 0.000 6.075 0.000) 6.075 8.504 ( 0.000 0.881 0.000) 0.881 9.008 ( 0.000 -2.459 0.000) 2.459 9.437 ( 0.000 -5.221 0.000) 5.221 10.496 ( 0.000 -0.424 0.000) 0.424 10.501 ( 0.000 -0.647 0.000) 0.647 12.727 ( 0.000 2.556 0.000) 2.556 12.834 ( 0.000 2.219 0.000) 2.219 13.239 ( 0.000 -1.394 0.000) 1.394 13.250 ( 0.000 -1.917 0.000) 1.917 ======================= Grid point 12 (8/150) ======================= q-point: ( 0.09 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 12.502 18.696 0.000) 22.491 0.716 ( 23.089 9.140 0.000) 24.832 1.384 ( 41.964 23.131 0.000) 47.917 2.358 ( 2.064 -1.962 0.000) 2.848 2.466 ( 7.997 -1.527 0.000) 8.142 2.708 ( -3.236 -2.538 0.000) 4.113 2.973 ( 0.160 -4.929 0.000) 4.932 3.060 ( -1.715 0.239 0.000) 1.732 3.134 ( -1.587 2.026 0.000) 2.574 3.208 ( 1.926 6.588 0.000) 6.864 3.689 ( 8.452 -7.136 0.000) 11.061 4.214 ( -1.147 -3.371 0.000) 3.561 6.093 ( 0.181 8.043 0.000) 8.045 7.276 ( -2.901 -0.356 0.000) 2.923 8.234 ( 5.260 5.122 0.000) 7.342 8.502 ( -0.133 -0.151 0.000) 0.201 8.998 ( -1.041 -2.436 0.000) 2.649 9.408 ( -4.785 -4.594 0.000) 6.633 10.408 ( -4.986 3.641 0.000) 6.174 10.533 ( 3.831 -0.806 0.000) 3.915 12.780 ( 7.357 -1.332 0.000) 7.477 12.863 ( 1.152 4.424 0.000) 4.571 12.907 ( -18.695 -1.253 0.000) 18.736 13.479 ( 8.944 -1.272 0.000) 9.034 ======================= Grid point 13 (9/150) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 18.112 11.016 0.000) 21.199 1.261 ( 27.145 -4.532 0.000) 27.521 2.146 ( 27.606 14.556 0.000) 31.208 2.412 ( 2.925 -3.365 0.000) 4.458 2.624 ( 4.522 -0.751 0.000) 4.584 2.747 ( 10.454 -0.061 0.000) 10.454 2.980 ( 0.379 -4.059 0.000) 4.076 3.014 ( -2.688 -0.390 0.000) 2.716 3.100 ( -1.496 1.325 0.000) 1.998 3.332 ( 11.803 4.652 0.000) 12.687 3.895 ( 9.914 -7.822 0.000) 12.629 4.194 ( 0.106 0.378 0.000) 0.393 6.111 ( 1.846 8.574 0.000) 8.770 7.191 ( -5.403 1.227 0.000) 5.540 8.358 ( 5.948 3.098 0.000) 6.706 8.492 ( -1.074 -2.129 0.000) 2.385 8.960 ( -2.797 -2.509 0.000) 3.757 9.244 ( -10.468 -1.670 0.000) 10.600 10.348 ( -0.520 1.520 0.000) 1.606 10.668 ( 9.659 -1.841 0.000) 9.833 12.490 ( -21.464 0.352 0.000) 21.466 12.851 ( -1.577 6.647 0.000) 6.832 13.011 ( 12.869 -5.177 0.000) 13.871 13.619 ( 4.882 -0.759 0.000) 4.941 ======================= Grid point 14 (10/150) ======================= q-point: ( 0.27 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 19.513 6.507 0.000) 20.569 1.775 ( 21.850 -11.002 0.000) 24.463 2.467 ( 6.728 11.186 0.000) 13.054 2.469 ( 2.452 -4.840 0.000) 5.425 2.729 ( 7.610 -4.226 0.000) 8.705 2.927 ( -0.608 4.391 0.000) 4.432 2.977 ( -0.977 -3.382 0.000) 3.520 3.009 ( 6.264 0.013 0.000) 6.264 3.084 ( 0.172 1.163 0.000) 1.176 3.756 ( 27.404 3.870 0.000) 27.676 3.980 ( -2.479 -7.910 0.000) 8.290 4.303 ( 10.606 3.029 0.000) 11.030 6.178 ( 4.809 8.889 0.000) 10.106 7.056 ( -7.705 3.197 0.000) 8.342 8.452 ( 3.020 1.532 0.000) 3.386 8.459 ( -1.884 -3.749 0.000) 4.196 8.879 ( -5.202 -2.851 0.000) 5.932 9.007 ( -11.963 -0.023 0.000) 11.963 10.396 ( 5.194 -0.436 0.000) 5.213 10.930 ( 15.226 -4.082 0.000) 15.763 12.051 ( -20.411 4.004 0.000) 20.800 12.773 ( -6.195 8.284 0.000) 10.344 13.278 ( 12.267 -7.151 0.000) 14.200 13.689 ( 2.136 -0.924 0.000) 2.327 ======================= Grid point 15 (11/150) ======================= q-point: ( 0.36 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 17.660 3.676 0.000) 18.038 2.119 ( 10.915 -13.232 0.000) 17.153 2.509 ( 1.441 -6.009 0.000) 6.179 2.544 ( 2.066 5.926 0.000) 6.276 2.805 ( -1.782 3.809 0.000) 4.205 2.937 ( -2.777 -1.799 0.000) 3.309 3.010 ( 10.305 -3.392 0.000) 10.849 3.103 ( 1.337 0.394 0.000) 1.394 3.125 ( 5.769 2.836 0.000) 6.428 3.859 ( -8.495 -4.689 0.000) 9.704 4.295 ( 22.405 2.553 0.000) 22.550 4.533 ( 10.174 1.444 0.000) 10.276 6.308 ( 7.699 8.730 0.000) 11.639 6.881 ( -9.198 5.133 0.000) 10.533 8.432 ( -0.165 -4.475 0.000) 4.478 8.488 ( 0.903 0.787 0.000) 1.198 8.750 ( -7.056 -3.030 0.000) 7.679 8.777 ( -9.933 0.886 0.000) 9.973 10.553 ( 9.845 -1.852 0.000) 10.018 11.208 ( 6.485 -11.310 0.000) 13.038 11.734 ( -5.536 13.273 0.000) 14.381 12.589 ( -11.809 9.131 0.000) 14.928 13.495 ( 8.708 -7.497 0.000) 11.491 13.713 ( 0.246 -2.220 0.000) 2.233 ======================= Grid point 16 (12/150) ======================= q-point: ( 0.45 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 12.505 0.726 0.000) 12.526 2.207 ( -2.295 -6.019 0.000) 6.441 2.531 ( 0.896 -6.758 0.000) 6.817 2.553 ( -1.050 -3.933 0.000) 4.071 2.800 ( 2.222 4.756 0.000) 5.250 2.869 ( -3.720 0.870 0.000) 3.821 3.122 ( 1.471 -0.903 0.000) 1.726 3.126 ( 0.671 -0.250 0.000) 0.716 3.357 ( 14.592 -0.457 0.000) 14.599 3.642 ( -12.517 -2.557 0.000) 12.776 4.623 ( 9.087 1.132 0.000) 9.157 4.678 ( 3.039 0.747 0.000) 3.129 6.485 ( 9.389 8.027 0.000) 12.352 6.684 ( -9.779 6.802 0.000) 11.912 8.466 ( 3.455 -4.660 0.000) 5.801 8.508 ( 1.034 -0.854 0.000) 1.341 8.608 ( -5.805 -1.685 0.000) 6.044 8.615 ( -5.520 1.677 0.000) 5.769 10.790 ( 13.021 -3.586 0.000) 13.506 11.073 ( -13.644 -7.446 0.000) 15.543 11.925 ( 17.611 11.639 0.000) 21.110 12.292 ( -16.792 9.669 0.000) 19.377 13.633 ( 4.768 -6.414 0.000) 7.992 13.698 ( -1.771 -4.351 0.000) 4.698 ======================= Grid point 22 (13/150) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 22.539 0.000) 22.539 1.211 ( 0.000 29.403 0.000) 29.403 1.230 ( 0.000 26.055 0.000) 26.055 2.295 ( 0.000 -3.018 0.000) 3.018 2.407 ( 0.000 3.984 0.000) 3.984 2.659 ( 0.000 -3.941 0.000) 3.941 2.878 ( 0.000 -4.250 0.000) 4.250 3.007 ( 0.000 -5.421 0.000) 5.421 3.167 ( 0.000 -1.796 0.000) 1.796 3.384 ( 0.000 -14.137 0.000) 14.137 3.401 ( 0.000 10.316 0.000) 10.316 4.108 ( 0.000 -7.878 0.000) 7.878 6.300 ( 0.000 13.635 0.000) 13.635 7.256 ( 0.000 -4.782 0.000) 4.782 8.337 ( 0.000 10.743 0.000) 10.743 8.536 ( 0.000 2.666 0.000) 2.666 8.941 ( 0.000 -4.626 0.000) 4.626 9.295 ( 0.000 -9.597 0.000) 9.597 10.486 ( 0.000 -0.652 0.000) 0.652 10.486 ( 0.000 -0.865 0.000) 0.865 12.796 ( 0.000 4.613 0.000) 4.613 12.892 ( 0.000 3.829 0.000) 3.829 13.197 ( 0.000 -3.682 0.000) 3.682 13.200 ( 0.000 -2.693 0.000) 2.693 ======================= Grid point 23 (14/150) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 6.428 19.882 0.000) 20.896 1.016 ( 2.852 19.542 0.000) 19.749 1.828 ( 33.008 21.398 0.000) 39.337 2.304 ( 0.832 -3.722 0.000) 3.814 2.490 ( 8.233 3.986 0.000) 9.147 2.644 ( -0.910 -2.247 0.000) 2.424 2.886 ( 0.727 -4.058 0.000) 4.122 2.999 ( -0.737 -5.030 0.000) 5.084 3.133 ( -2.199 -2.644 0.000) 3.439 3.390 ( 0.129 10.644 0.000) 10.644 3.505 ( 9.981 -11.777 0.000) 15.437 4.115 ( 0.868 -6.998 0.000) 7.052 6.307 ( 0.786 14.072 0.000) 14.094 7.244 ( -1.164 -3.558 0.000) 3.744 8.368 ( 2.763 8.710 0.000) 9.137 8.508 ( -2.427 1.020 0.000) 2.632 8.935 ( -0.678 -4.030 0.000) 4.087 9.287 ( -1.902 -8.032 0.000) 8.254 10.442 ( -3.702 0.428 0.000) 3.726 10.512 ( 2.825 -1.409 0.000) 3.157 12.768 ( 1.470 0.032 0.000) 1.470 12.875 ( -17.282 -2.004 0.000) 17.398 12.973 ( 4.188 6.972 0.000) 8.133 13.440 ( 9.570 -2.908 0.000) 10.002 ======================= Grid point 24 (15/150) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 12.591 14.385 0.000) 19.117 1.248 ( 16.688 3.721 0.000) 17.098 2.326 ( 1.287 -5.281 0.000) 5.436 2.387 ( 18.450 6.919 0.000) 19.704 2.616 ( 0.097 1.948 0.000) 1.950 2.801 ( 18.152 5.957 0.000) 19.104 2.904 ( 0.826 -3.737 0.000) 3.827 2.982 ( -0.106 -1.726 0.000) 1.729 3.097 ( -1.131 -1.920 0.000) 2.228 3.469 ( 9.905 9.265 0.000) 13.563 3.719 ( 8.839 -10.318 0.000) 13.586 4.165 ( 4.903 -3.692 0.000) 6.137 6.338 ( 2.370 14.832 0.000) 15.020 7.204 ( -2.843 -0.596 0.000) 2.905 8.431 ( 2.869 4.039 0.000) 4.955 8.445 ( -3.648 -2.397 0.000) 4.364 8.904 ( -2.623 -2.901 0.000) 3.911 9.189 ( -7.589 -4.172 0.000) 8.660 10.376 ( -1.681 1.437 0.000) 2.211 10.618 ( 7.791 -3.418 0.000) 8.507 12.506 ( -18.166 1.421 0.000) 18.222 12.880 ( 8.408 -6.847 0.000) 10.843 13.027 ( 0.864 9.967 0.000) 10.005 13.591 ( 5.182 -2.329 0.000) 5.682 ======================= Grid point 25 (16/150) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 15.626 9.224 0.000) 18.145 1.606 ( 16.706 -5.690 0.000) 17.649 2.353 ( 1.283 -6.559 0.000) 6.683 2.613 ( 0.655 -1.605 0.000) 1.733 2.690 ( 12.552 4.985 0.000) 13.506 2.911 ( -0.315 -3.505 0.000) 3.519 2.913 ( -2.118 -3.224 0.000) 3.857 3.090 ( 0.401 -0.688 0.000) 0.796 3.109 ( 6.312 8.251 0.000) 10.388 3.807 ( -0.216 -9.898 0.000) 9.901 3.868 ( 25.986 7.755 0.000) 27.118 4.338 ( 11.072 0.250 0.000) 11.075 6.410 ( 4.735 14.971 0.000) 15.702 7.124 ( -4.987 3.165 0.000) 5.906 8.368 ( -3.424 -5.197 0.000) 6.223 8.473 ( 1.135 -0.169 0.000) 1.148 8.821 ( -5.307 -2.266 0.000) 5.770 8.998 ( -10.315 -1.138 0.000) 10.377 10.396 ( 3.770 0.833 0.000) 3.860 10.822 ( 11.103 -7.003 0.000) 13.127 12.164 ( -13.912 7.797 0.000) 15.948 12.973 ( -3.949 10.943 0.000) 11.634 13.097 ( 9.529 -10.396 0.000) 14.103 13.656 ( 1.220 -2.739 0.000) 2.998 ======================= Grid point 26 (17/150) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 14.089 4.377 0.000) 14.753 1.897 ( 11.156 -9.456 0.000) 14.624 2.379 ( 1.393 -6.314 0.000) 6.466 2.607 ( -1.482 1.193 0.000) 1.902 2.861 ( -2.342 -0.855 0.000) 2.493 2.893 ( -1.292 -2.729 0.000) 3.019 2.952 ( 11.898 -0.216 0.000) 11.900 3.106 ( 0.973 -0.209 0.000) 0.996 3.196 ( 3.951 4.630 0.000) 6.087 3.738 ( -6.027 -7.759 0.000) 9.824 4.366 ( 20.152 4.683 0.000) 20.689 4.562 ( 9.599 1.306 0.000) 9.687 6.531 ( 6.926 14.112 0.000) 15.720 7.002 ( -6.772 6.825 0.000) 9.615 8.323 ( -0.557 -6.440 0.000) 6.464 8.477 ( -0.721 -3.101 0.000) 3.183 8.699 ( -6.056 -1.155 0.000) 6.165 8.794 ( -8.879 0.744 0.000) 8.910 10.522 ( 8.137 -0.867 0.000) 8.183 10.992 ( 2.867 -11.325 0.000) 11.682 12.009 ( 0.902 15.696 0.000) 15.722 12.815 ( -11.018 13.865 0.000) 17.710 13.294 ( 8.978 -13.407 0.000) 16.135 13.646 ( -2.055 -4.896 0.000) 5.309 ======================= Grid point 27 (18/150) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 6.309 -2.700 0.000) 6.862 2.055 ( 3.898 -8.821 0.000) 9.644 2.427 ( 3.916 -2.466 0.000) 4.628 2.535 ( -5.352 1.314 0.000) 5.511 2.839 ( 0.342 -0.728 0.000) 0.804 2.862 ( -1.552 -1.634 0.000) 2.253 3.106 ( 2.732 -0.465 0.000) 2.771 3.122 ( 0.363 -0.194 0.000) 0.411 3.347 ( 10.812 -0.390 0.000) 10.819 3.571 ( -9.969 -4.710 0.000) 11.026 4.654 ( 7.781 2.095 0.000) 8.058 4.698 ( 2.935 1.245 0.000) 3.189 6.686 ( 7.990 12.372 0.000) 14.728 6.851 ( -7.832 9.920 0.000) 12.639 8.353 ( 3.364 -6.827 0.000) 7.611 8.436 ( -3.617 -6.471 0.000) 7.413 8.611 ( -1.358 1.892 0.000) 2.329 8.651 ( -4.786 1.972 0.000) 5.176 10.715 ( 10.222 -3.744 0.000) 10.886 10.917 ( -8.416 -8.342 0.000) 11.850 12.198 ( 15.069 16.401 0.000) 22.272 12.532 ( -15.961 14.906 0.000) 21.839 13.458 ( 6.894 -11.889 0.000) 13.744 13.576 ( -4.652 -8.436 0.000) 9.633 ======================= Grid point 33 (19/150) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.000 17.570 0.000) 17.570 1.581 ( 0.000 9.337 0.000) 9.337 1.714 ( 0.000 22.889 0.000) 22.889 2.214 ( 0.000 -5.815 0.000) 5.815 2.520 ( 0.000 8.551 0.000) 8.551 2.671 ( 0.000 6.012 0.000) 6.012 2.821 ( 0.000 -1.563 0.000) 1.563 2.901 ( 0.000 -5.167 0.000) 5.167 3.073 ( 0.000 -8.276 0.000) 8.276 3.077 ( 0.000 -17.649 0.000) 17.649 3.590 ( 0.000 9.651 0.000) 9.651 3.943 ( 0.000 -9.242 0.000) 9.242 6.587 ( 0.000 16.030 0.000) 16.030 7.117 ( 0.000 -10.002 0.000) 10.002 8.568 ( 0.000 13.354 0.000) 13.354 8.609 ( 0.000 4.960 0.000) 4.960 8.838 ( 0.000 -6.092 0.000) 6.092 9.083 ( 0.000 -12.583 0.000) 12.583 10.472 ( 0.000 -0.534 0.000) 0.534 10.474 ( 0.000 -0.537 0.000) 0.537 12.896 ( 0.000 5.770 0.000) 5.770 12.973 ( 0.000 4.557 0.000) 4.557 13.113 ( 0.000 -5.094 0.000) 5.094 13.138 ( 0.000 -3.775 0.000) 3.775 ======================= Grid point 34 (20/150) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 2.284 14.633 0.000) 14.810 1.361 ( -6.086 14.854 0.000) 16.053 2.099 ( 19.370 6.058 0.000) 20.296 2.222 ( 0.613 -4.658 0.000) 4.698 2.628 ( 10.472 9.311 0.000) 14.013 2.692 ( 3.227 9.577 0.000) 10.106 2.828 ( 0.759 -1.847 0.000) 1.997 2.903 ( 0.721 -4.269 0.000) 4.330 3.022 ( -0.924 -9.026 0.000) 9.073 3.262 ( 12.600 -13.654 0.000) 18.579 3.588 ( 0.371 10.145 0.000) 10.152 3.958 ( 1.836 -9.284 0.000) 9.464 6.602 ( 1.452 16.369 0.000) 16.433 7.126 ( 0.749 -9.168 0.000) 9.198 8.538 ( -2.540 7.958 0.000) 8.354 8.546 ( -5.303 2.903 0.000) 6.046 8.866 ( 2.012 -2.070 0.000) 2.887 9.111 ( 1.371 -10.249 0.000) 10.341 10.445 ( -2.245 0.229 0.000) 2.257 10.483 ( 1.230 -1.567 0.000) 1.992 12.777 ( -4.796 0.909 0.000) 4.881 12.836 ( -14.528 -2.052 0.000) 14.672 13.115 ( 7.304 7.720 0.000) 10.628 13.367 ( 9.899 -4.915 0.000) 11.052 ======================= Grid point 35 (21/150) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 6.603 8.479 0.000) 10.747 1.443 ( 7.727 9.348 0.000) 12.128 2.237 ( 0.970 -3.017 0.000) 3.169 2.367 ( 8.259 -5.781 0.000) 10.081 2.727 ( 3.264 7.705 0.000) 8.368 2.846 ( 0.678 -2.239 0.000) 2.340 2.853 ( 2.036 -1.456 0.000) 2.503 3.023 ( 0.943 -5.910 0.000) 5.984 3.076 ( 16.714 11.714 0.000) 20.410 3.518 ( 9.831 -10.735 0.000) 14.557 3.663 ( 9.646 10.939 0.000) 14.585 4.052 ( 8.552 -8.050 0.000) 11.745 6.645 ( 2.764 16.854 0.000) 17.079 7.140 ( 0.460 -6.743 0.000) 6.758 8.419 ( -6.553 0.128 0.000) 6.554 8.479 ( -2.953 0.305 0.000) 2.968 8.884 ( -0.910 1.673 0.000) 1.904 9.089 ( -3.994 -6.231 0.000) 7.401 10.409 ( -0.529 2.280 0.000) 2.340 10.544 ( 5.005 -4.228 0.000) 6.552 12.549 ( -12.777 3.278 0.000) 13.191 12.747 ( 1.789 -6.796 0.000) 7.028 13.225 ( 2.995 10.300 0.000) 10.727 13.524 ( 5.244 -4.949 0.000) 7.210 ======================= Grid point 36 (22/150) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 10.904 1.699 0.000) 11.036 1.642 ( 10.896 4.207 0.000) 11.680 2.267 ( 2.041 -1.032 0.000) 2.287 2.500 ( 5.209 -8.078 0.000) 9.612 2.795 ( 2.285 2.790 0.000) 3.606 2.851 ( -0.171 -2.637 0.000) 2.643 2.885 ( 3.100 2.165 0.000) 3.781 3.054 ( 1.914 -3.140 0.000) 3.678 3.273 ( 3.083 8.754 0.000) 9.281 3.618 ( 0.609 -9.842 0.000) 9.861 4.034 ( 22.951 9.249 0.000) 24.745 4.305 ( 14.298 -3.770 0.000) 14.787 6.715 ( 4.030 16.384 0.000) 16.872 7.136 ( -1.010 -2.923 0.000) 3.093 8.294 ( -5.188 -1.672 0.000) 5.451 8.421 ( -2.673 -5.044 0.000) 5.708 8.823 ( -4.633 2.469 0.000) 5.250 8.959 ( -7.871 -2.911 0.000) 8.392 10.438 ( 3.328 3.688 0.000) 4.968 10.677 ( 7.120 -7.934 0.000) 10.661 12.343 ( -6.332 11.078 0.000) 12.760 12.836 ( 6.494 -13.738 0.000) 15.196 13.226 ( -3.178 12.204 0.000) 12.611 13.577 ( -0.078 -5.768 0.000) 5.769 ======================= Grid point 37 (23/150) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 8.767 -2.645 0.000) 9.157 1.849 ( 8.136 -1.499 0.000) 8.273 2.332 ( 4.621 2.444 0.000) 5.227 2.582 ( 2.359 -4.582 0.000) 5.154 2.798 ( -1.087 -2.434 0.000) 2.666 2.840 ( -0.921 -2.728 0.000) 2.879 3.000 ( 6.778 3.286 0.000) 7.532 3.093 ( 1.668 -1.302 0.000) 2.116 3.298 ( 0.816 6.058 0.000) 6.113 3.580 ( -3.763 -8.523 0.000) 9.316 4.460 ( 16.757 4.888 0.000) 17.455 4.571 ( 10.614 -0.518 0.000) 10.626 6.809 ( 5.090 14.377 0.000) 15.251 7.096 ( -2.888 1.809 0.000) 3.407 8.223 ( -1.483 -2.988 0.000) 3.336 8.365 ( -2.920 -7.582 0.000) 8.125 8.719 ( -4.759 2.546 0.000) 5.397 8.797 ( -7.267 -0.616 0.000) 7.293 10.536 ( 5.954 2.653 0.000) 6.519 10.788 ( 2.638 -9.914 0.000) 10.259 12.324 ( 4.915 17.472 0.000) 18.150 12.997 ( 8.536 -15.593 0.000) 17.777 13.092 ( -9.521 12.741 0.000) 15.905 13.523 ( -5.021 -8.186 0.000) 9.603 ======================= Grid point 38 (24/150) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 4.236 -5.037 0.000) 6.582 1.948 ( 1.420 -5.320 0.000) 5.506 2.455 ( 6.799 4.501 0.000) 8.154 2.573 ( -3.616 1.775 0.000) 4.028 2.787 ( 0.587 -3.675 0.000) 3.721 2.814 ( -1.525 -3.187 0.000) 3.533 3.106 ( 2.602 0.289 0.000) 2.618 3.118 ( 0.699 -0.228 0.000) 0.735 3.352 ( 4.957 1.107 0.000) 5.079 3.476 ( -6.128 -5.010 0.000) 7.915 4.694 ( 6.034 1.914 0.000) 6.330 4.718 ( 3.343 0.720 0.000) 3.420 6.918 ( 5.297 11.044 0.000) 12.249 7.020 ( -4.453 6.713 0.000) 8.055 8.234 ( 2.260 -4.897 0.000) 5.393 8.298 ( -3.538 -7.144 0.000) 7.972 8.655 ( -1.109 2.217 0.000) 2.478 8.681 ( -3.673 1.040 0.000) 3.817 10.667 ( 6.284 -1.038 0.000) 6.369 10.774 ( -3.588 -6.429 0.000) 7.362 12.528 ( 13.710 18.093 0.000) 22.701 12.831 ( -14.564 16.077 0.000) 21.693 13.193 ( 9.616 -15.767 0.000) 18.468 13.382 ( -8.411 -12.013 0.000) 14.665 ======================= Grid point 44 (25/150) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 -8.223 0.000) 8.223 1.578 ( 0.000 8.223 0.000) 8.223 2.050 ( 0.000 -12.519 0.000) 12.519 2.050 ( 0.000 12.519 0.000) 12.519 2.750 ( 0.000 -15.646 0.000) 15.646 2.750 ( 0.000 15.646 0.000) 15.646 2.824 ( 0.000 -1.032 0.000) 1.032 2.824 ( 0.000 1.032 0.000) 1.032 2.869 ( 0.000 -11.269 0.000) 11.269 2.869 ( 0.000 11.269 0.000) 11.269 3.768 ( 0.000 -9.205 0.000) 9.205 3.768 ( 0.000 9.205 0.000) 9.205 6.881 ( 0.000 -14.510 0.000) 14.510 6.881 ( 0.000 14.510 0.000) 14.510 8.718 ( 0.000 -6.317 0.000) 6.317 8.718 ( 0.000 6.317 0.000) 6.317 8.829 ( 0.000 -13.902 0.000) 13.902 8.829 ( 0.000 13.902 0.000) 13.902 10.468 ( 0.000 -0.068 0.000) 0.068 10.468 ( 0.000 0.068 0.000) 0.068 13.008 ( 0.000 -5.884 0.000) 5.884 13.008 ( 0.000 5.884 0.000) 5.884 13.060 ( 0.000 -4.469 0.000) 4.469 13.060 ( 0.000 4.469 0.000) 4.469 ======================= Grid point 46 (26/150) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -3.704 -0.975 0.000) 3.830 1.505 ( -3.704 0.975 0.000) 3.830 2.149 ( 6.251 -2.376 0.000) 6.687 2.149 ( 6.251 2.376 0.000) 6.687 2.799 ( 3.006 -6.254 0.000) 6.939 2.799 ( 3.006 6.254 0.000) 6.939 2.843 ( 0.189 -3.863 0.000) 3.867 2.843 ( 0.189 3.863 0.000) 3.867 2.985 ( 13.721 -15.248 0.000) 20.512 2.985 ( 13.721 15.248 0.000) 20.512 3.776 ( 1.270 -9.777 0.000) 9.859 3.776 ( 1.270 9.777 0.000) 9.859 6.899 ( 1.642 -14.385 0.000) 14.479 6.899 ( 1.642 14.385 0.000) 14.479 8.600 ( -7.481 -1.556 0.000) 7.641 8.600 ( -7.481 1.556 0.000) 7.641 8.924 ( 4.757 -8.266 0.000) 9.537 8.924 ( 4.757 8.266 0.000) 9.537 10.457 ( -0.624 -1.078 0.000) 1.245 10.457 ( -0.624 1.078 0.000) 1.245 12.801 ( -10.284 -1.585 0.000) 10.406 12.801 ( -10.284 1.585 0.000) 10.406 13.255 ( 9.266 -6.796 0.000) 11.491 13.255 ( 9.266 6.796 0.000) 11.491 ======================= Grid point 48 (27/150) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 3.849 -3.044 0.000) 4.907 1.504 ( 3.849 3.044 0.000) 4.907 2.252 ( 4.168 -4.682 0.000) 6.269 2.252 ( 4.168 4.682 0.000) 6.269 2.824 ( -0.292 -0.165 0.000) 0.336 2.824 ( -0.292 0.165 0.000) 0.336 2.886 ( 3.952 -7.788 0.000) 8.733 2.886 ( 3.952 7.788 0.000) 8.733 3.308 ( 13.113 -11.727 0.000) 17.592 3.308 ( 13.113 11.727 0.000) 17.592 3.871 ( 10.125 -10.686 0.000) 14.721 3.871 ( 10.125 10.686 0.000) 14.721 6.943 ( 2.437 -13.752 0.000) 13.967 6.943 ( 2.437 13.752 0.000) 13.967 8.449 ( -6.975 -2.491 0.000) 7.406 8.449 ( -6.975 2.491 0.000) 7.406 8.966 ( -1.021 -6.192 0.000) 6.276 8.966 ( -1.021 6.192 0.000) 6.276 10.466 ( 1.975 -3.733 0.000) 4.223 10.466 ( 1.975 3.733 0.000) 4.223 12.631 ( -5.819 -5.311 0.000) 7.878 12.631 ( -5.819 5.311 0.000) 7.878 13.401 ( 4.607 -8.026 0.000) 9.254 13.401 ( 4.607 8.026 0.000) 9.254 ======================= Grid point 50 (28/150) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 7.938 -3.639 0.000) 8.732 1.636 ( 7.938 3.639 0.000) 8.732 2.340 ( 4.650 -7.718 0.000) 9.011 2.340 ( 4.650 7.718 0.000) 9.011 2.815 ( -0.563 -1.064 0.000) 1.204 2.815 ( -0.563 1.064 0.000) 1.204 2.973 ( 4.308 -5.199 0.000) 6.752 2.973 ( 4.308 5.199 0.000) 6.752 3.440 ( 1.263 -8.989 0.000) 9.077 3.440 ( 1.263 8.989 0.000) 9.077 4.197 ( 18.693 -7.484 0.000) 20.136 4.197 ( 18.693 7.484 0.000) 20.136 6.993 ( 2.310 -11.941 0.000) 12.162 6.993 ( 2.310 11.941 0.000) 12.162 8.322 ( -5.233 -4.262 0.000) 6.749 8.322 ( -5.233 4.262 0.000) 6.749 8.891 ( -5.580 -4.037 0.000) 6.887 8.891 ( -5.580 4.037 0.000) 6.887 10.536 ( 4.435 -6.602 0.000) 7.953 10.536 ( 4.435 6.602 0.000) 7.953 12.577 ( 0.754 -13.319 0.000) 13.340 12.577 ( 0.754 13.319 0.000) 13.340 13.433 ( -1.593 -9.431 0.000) 9.565 13.433 ( -1.593 9.431 0.000) 9.565 ======================= Grid point 52 (29/150) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 6.316 -2.988 0.000) 6.987 1.790 ( 6.316 2.988 0.000) 6.987 2.447 ( 5.682 -8.137 0.000) 9.924 2.447 ( 5.682 8.137 0.000) 9.924 2.797 ( -1.397 -1.583 0.000) 2.111 2.797 ( -1.397 1.583 0.000) 2.111 3.056 ( 3.617 -2.507 0.000) 4.401 3.056 ( 3.617 2.507 0.000) 4.401 3.426 ( -1.668 -7.528 0.000) 7.710 3.426 ( -1.668 7.528 0.000) 7.710 4.538 ( 13.227 -3.056 0.000) 13.575 4.538 ( 13.227 3.056 0.000) 13.575 7.035 ( 1.734 -8.324 0.000) 8.502 7.035 ( 1.734 8.324 0.000) 8.502 8.239 ( -2.843 -4.597 0.000) 5.406 8.239 ( -2.843 4.597 0.000) 5.406 8.769 ( -5.598 -2.282 0.000) 6.046 8.769 ( -5.598 2.282 0.000) 6.046 10.627 ( 3.904 -6.837 0.000) 7.873 10.627 ( 3.904 6.837 0.000) 7.873 12.664 ( 7.584 -18.146 0.000) 19.667 12.664 ( 7.584 18.146 0.000) 19.667 13.335 ( -7.830 -11.641 0.000) 14.029 13.335 ( -7.830 11.641 0.000) 14.029 ======================= Grid point 54 (30/150) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 2.203 -1.166 0.000) 2.492 1.879 ( 2.203 1.166 0.000) 2.492 2.552 ( 3.639 -4.365 0.000) 5.682 2.552 ( 3.639 4.365 0.000) 5.682 2.760 ( -1.699 -1.579 0.000) 2.319 2.760 ( -1.699 1.579 0.000) 2.319 3.113 ( 1.600 -0.360 0.000) 1.640 3.113 ( 1.600 0.360 0.000) 1.640 3.394 ( -1.066 -3.378 0.000) 3.542 3.394 ( -1.066 3.378 0.000) 3.542 4.720 ( 4.419 -0.647 0.000) 4.466 4.720 ( 4.419 0.647 0.000) 4.466 7.061 ( 0.694 -3.006 0.000) 3.085 7.061 ( 0.694 3.006 0.000) 3.085 8.202 ( -0.824 -2.052 0.000) 2.211 8.202 ( -0.824 2.052 0.000) 2.211 8.684 ( -2.254 -0.768 0.000) 2.381 8.684 ( -2.254 0.768 0.000) 2.381 10.684 ( 1.457 -2.920 0.000) 3.263 10.684 ( 1.457 2.920 0.000) 3.263 12.871 ( 11.892 -17.811 0.000) 21.416 12.871 ( 11.892 17.811 0.000) 21.416 13.127 ( -11.862 -14.726 0.000) 18.910 13.127 ( -11.862 14.726 0.000) 18.910 ======================= Grid point 99 (31/150) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 0.000 19.892) 19.892 0.483 ( 0.000 0.000 23.836) 23.836 0.715 ( 0.000 0.000 34.588) 34.588 2.264 ( 0.000 0.000 -5.973) 5.973 2.368 ( 0.000 0.000 0.424) 0.424 2.463 ( 0.000 0.000 -2.673) 2.673 3.006 ( 0.000 0.000 -1.504) 1.504 3.051 ( 0.000 0.000 -3.869) 3.869 3.146 ( 0.000 0.000 -0.419) 0.419 3.682 ( 0.000 0.000 1.168) 1.168 4.203 ( 0.000 0.000 3.525) 3.525 4.266 ( 0.000 0.000 -0.245) 0.245 5.979 ( 0.000 0.000 -3.530) 3.530 7.362 ( 0.000 0.000 4.904) 4.904 8.115 ( 0.000 0.000 -0.059) 0.059 8.493 ( 0.000 0.000 -0.304) 0.304 9.041 ( 0.000 0.000 -4.194) 4.194 9.489 ( 0.000 0.000 0.164) 0.164 9.531 ( 0.000 0.000 0.139) 0.139 10.499 ( 0.000 0.000 -0.122) 0.122 12.700 ( 0.000 0.000 -0.264) 0.264 12.811 ( 0.000 0.000 -0.083) 0.083 13.251 ( 0.000 0.000 -0.082) 0.082 13.427 ( 0.000 0.000 -2.203) 2.203 ======================= Grid point 100 (32/150) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 10.805 0.000 24.817) 27.068 0.826 ( 26.173 0.000 13.133) 29.283 1.193 ( 44.169 0.000 9.440) 45.166 2.352 ( 4.973 0.000 -3.150) 5.886 2.499 ( 3.467 0.000 -2.683) 4.384 2.500 ( 10.903 0.000 -7.481) 13.223 2.972 ( -2.701 0.000 -2.988) 4.028 3.045 ( -0.597 0.000 -3.893) 3.938 3.092 ( -3.871 0.000 1.627) 4.199 3.571 ( -13.000 0.000 17.216) 21.573 3.863 ( 0.899 0.000 11.215) 11.251 4.243 ( -2.209 0.000 -0.179) 2.216 5.978 ( 0.156 0.000 -3.341) 3.344 7.328 ( -3.331 0.000 4.835) 5.872 8.183 ( 6.036 0.000 -0.090) 6.037 8.481 ( -0.276 0.000 -2.087) 2.106 8.977 ( -1.797 0.000 -4.210) 4.578 9.456 ( -7.089 0.000 0.107) 7.090 10.050 ( 19.567 0.000 -17.161) 26.026 10.540 ( 4.204 0.000 -0.084) 4.205 12.792 ( 8.909 0.000 -1.254) 8.997 12.809 ( -0.377 0.000 -0.059) 0.381 12.930 ( -20.869 0.000 -0.079) 20.869 13.546 ( 6.735 0.000 2.915) 7.339 ======================= Grid point 101 (33/150) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 15.642 0.000 16.493) 22.731 1.400 ( 28.271 0.000 6.317) 28.968 1.976 ( 27.032 0.000 0.384) 27.035 2.464 ( 5.454 0.000 1.515) 5.660 2.604 ( 6.763 0.000 -2.648) 7.263 2.722 ( 9.574 0.000 -3.205) 10.096 2.989 ( 4.975 0.000 -3.301) 5.970 3.024 ( -1.453 0.000 -3.898) 4.160 3.038 ( 1.222 0.000 2.465) 2.751 3.434 ( 0.149 0.000 11.445) 11.446 4.024 ( 11.253 0.000 3.716) 11.851 4.177 ( -4.206 0.000 -0.147) 4.208 5.998 ( 2.089 0.000 -2.681) 3.399 7.227 ( -6.421 0.000 4.610) 7.904 8.325 ( 6.815 0.000 -0.154) 6.817 8.471 ( -0.948 0.000 -4.042) 4.152 8.937 ( -2.497 0.000 -4.508) 5.153 9.258 ( -11.572 0.000 0.033) 11.572 10.269 ( 6.369 0.000 -4.874) 8.020 10.686 ( 10.345 0.000 0.003) 10.345 12.479 ( -22.752 0.000 -0.852) 22.768 12.783 ( -2.530 0.000 -0.005) 2.530 13.034 ( 13.498 0.000 -2.700) 13.765 13.665 ( 4.637 0.000 3.239) 5.656 ======================= Grid point 102 (34/150) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 17.910 0.000 9.229) 20.148 1.950 ( 24.581 0.000 2.613) 24.720 2.283 ( 6.222 0.000 -2.512) 6.711 2.550 ( 3.237 0.000 2.847) 4.311 2.778 ( 10.272 0.000 -2.356) 10.539 2.845 ( 2.384 0.000 -1.321) 2.725 2.984 ( -2.475 0.000 -3.741) 4.485 2.991 ( 0.656 0.000 0.742) 0.990 3.179 ( 2.129 0.000 8.770) 9.025 3.714 ( 26.640 0.000 -0.508) 26.644 4.068 ( -6.613 0.000 -0.296) 6.619 4.278 ( 12.730 0.000 1.634) 12.834 6.074 ( 5.439 0.000 -1.523) 5.648 7.068 ( -8.930 0.000 4.176) 9.859 8.434 ( 3.473 0.000 -0.188) 3.478 8.442 ( -1.620 0.000 -5.145) 5.394 8.864 ( -4.756 0.000 -4.106) 6.283 9.005 ( -12.489 0.000 -0.039) 12.490 10.403 ( 7.485 0.000 0.205) 7.488 10.970 ( 17.133 0.000 0.074) 17.133 12.007 ( -22.836 0.000 -0.584) 22.843 12.691 ( -6.733 0.000 0.050) 6.733 13.309 ( 12.591 0.000 -3.309) 13.018 13.737 ( 2.508 0.000 3.433) 4.251 ======================= Grid point 103 (35/150) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 16.591 0.000 4.435) 17.173 2.325 ( -1.264 0.000 -1.555) 2.004 2.382 ( 17.007 0.000 -0.395) 17.012 2.614 ( 3.159 0.000 4.252) 5.297 2.830 ( -2.717 0.000 3.835) 4.700 2.915 ( -3.623 0.000 -3.945) 5.356 3.037 ( 14.246 0.000 -0.994) 14.281 3.046 ( 3.569 0.000 -1.680) 3.944 3.176 ( -0.990 0.000 5.601) 5.688 3.900 ( -9.824 0.000 -0.437) 9.834 4.263 ( 23.181 0.000 -0.764) 23.193 4.520 ( 10.229 0.000 0.220) 10.232 6.220 ( 8.637 0.000 -0.108) 8.638 6.867 ( -10.517 0.000 3.479) 11.078 8.422 ( 0.194 0.000 -5.199) 5.202 8.476 ( 1.168 0.000 -0.168) 1.180 8.742 ( -7.018 0.000 -3.824) 7.992 8.767 ( -10.314 0.000 -0.083) 10.314 10.589 ( 10.719 0.000 1.500) 10.823 11.369 ( 21.001 0.000 0.102) 21.001 11.557 ( -20.711 0.000 0.120) 20.711 12.499 ( -12.069 0.000 0.086) 12.069 13.534 ( 9.097 0.000 -2.743) 9.502 13.769 ( 0.558 0.000 2.905) 2.958 ======================= Grid point 104 (36/150) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 12.518 0.000 1.142) 12.570 2.241 ( -6.971 0.000 -0.778) 7.014 2.654 ( 10.021 0.000 -2.478) 10.323 2.683 ( 3.603 0.000 6.190) 7.162 2.761 ( -3.780 0.000 6.536) 7.550 2.815 ( -6.100 0.000 -3.410) 6.989 3.111 ( 2.581 0.000 -0.734) 2.684 3.152 ( -1.462 0.000 1.715) 2.254 3.357 ( 15.884 0.000 -0.433) 15.890 3.661 ( -13.403 0.000 -0.402) 13.409 4.604 ( 9.539 0.000 -0.822) 9.575 4.665 ( 2.901 0.000 -0.622) 2.967 6.419 ( 10.537 0.000 1.284) 10.615 6.643 ( -11.068 0.000 2.503) 11.348 8.467 ( 4.280 0.000 -4.574) 6.264 8.507 ( 2.453 0.000 -0.132) 2.456 8.590 ( -7.255 0.000 -3.970) 8.270 8.594 ( -6.297 0.000 -0.107) 6.298 10.843 ( 13.978 0.000 1.397) 14.047 11.165 ( -17.400 0.000 0.841) 17.420 11.804 ( 20.680 0.000 0.107) 20.681 12.197 ( -17.201 0.000 0.102) 17.201 13.681 ( 5.313 0.000 -0.987) 5.403 13.755 ( -2.017 0.000 1.243) 2.369 ======================= Grid point 110 (37/150) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 0.000 10.334 11.433) 15.412 0.737 ( 0.000 26.848 10.418) 28.798 1.080 ( 0.000 24.363 26.164) 35.750 2.280 ( 0.000 1.628 -5.255) 5.501 2.356 ( 0.000 -1.137 -0.116) 1.143 2.548 ( 0.000 4.141 -8.907) 9.823 2.973 ( 0.000 -5.077 -3.081) 5.939 3.034 ( 0.000 -2.258 -4.452) 4.992 3.123 ( 0.000 1.684 2.799) 3.267 3.607 ( 0.000 -7.836 1.128) 7.916 3.760 ( 0.000 -19.436 23.094) 30.184 4.266 ( 0.000 -3.920 2.993) 4.932 6.053 ( 0.000 7.706 -3.582) 8.498 7.349 ( 0.000 -2.028 3.701) 4.220 8.174 ( 0.000 6.096 -0.039) 6.096 8.494 ( 0.000 0.608 -0.757) 0.971 8.978 ( 0.000 -3.178 -3.112) 4.448 9.439 ( 0.000 -5.228 0.158) 5.230 10.073 ( 0.000 26.279 -21.971) 34.254 10.500 ( 0.000 0.072 0.253) 0.263 12.708 ( 0.000 1.578 -0.824) 1.780 12.833 ( 0.000 2.229 -0.074) 2.230 13.238 ( 0.000 -1.386 -0.074) 1.388 13.325 ( 0.000 -6.689 2.135) 7.021 ======================= Grid point 111 (38/150) ======================= q-point: ( 0.09 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 20.926 0.124 10.307) 23.327 0.990 ( 13.347 14.396 17.697) 26.430 1.471 ( 34.875 21.725 8.766) 42.013 2.344 ( 4.388 -0.604 -1.984) 4.853 2.435 ( 7.651 -1.638 -2.589) 8.242 2.577 ( 2.652 1.568 -8.040) 8.610 2.944 ( -1.592 -3.524 -3.194) 5.016 3.027 ( -0.705 -2.330 -4.198) 4.852 3.104 ( -1.325 3.648 2.579) 4.659 3.509 ( -7.553 -4.726 14.707) 17.195 3.774 ( 5.738 -7.958 9.003) 13.315 4.225 ( -2.338 -2.550 0.949) 3.587 6.055 ( 0.359 7.959 -3.423) 8.672 7.318 ( -2.864 -1.347 3.853) 4.986 8.233 ( 5.213 5.134 -0.072) 7.317 8.480 ( -1.025 -0.026 -2.012) 2.258 8.956 ( -1.450 -2.112 -3.974) 4.728 9.415 ( -4.684 -4.319 0.622) 6.401 10.196 ( 6.783 10.676 -14.953) 19.585 10.537 ( 3.780 -0.405 0.246) 3.809 12.771 ( 6.691 -1.295 -0.737) 6.855 12.851 ( 0.689 3.883 -0.612) 3.991 12.915 ( -19.119 -1.309 -0.072) 19.164 13.515 ( 8.342 -2.723 2.310) 9.074 ======================= Grid point 112 (39/150) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 17.688 4.023 11.038) 21.234 1.355 ( 22.236 -0.948 9.037) 24.021 2.127 ( 22.697 12.017 -1.360) 25.718 2.444 ( 5.324 -1.720 2.451) 6.108 2.586 ( 4.109 -1.777 -3.657) 5.781 2.719 ( 13.311 0.650 -2.613) 13.580 2.963 ( 3.072 -2.051 -0.746) 3.768 3.007 ( -1.065 -1.655 -2.441) 3.136 3.099 ( 2.574 5.041 1.119) 5.770 3.432 ( 1.889 0.214 8.960) 9.160 3.941 ( 8.298 -7.551 3.956) 11.897 4.193 ( 0.089 0.404 -0.099) 0.426 6.079 ( 2.267 8.397 -2.854) 9.154 7.232 ( -5.562 0.249 3.701) 6.685 8.355 ( 5.842 3.003 -0.234) 6.572 8.452 ( -1.767 -1.823 -3.741) 4.521 8.917 ( -2.603 -1.967 -4.033) 5.187 9.249 ( -10.661 -1.302 0.433) 10.749 10.294 ( 3.927 2.272 -4.455) 6.359 10.670 ( 9.563 -1.694 0.146) 9.713 12.483 ( -21.510 0.439 -0.751) 21.528 12.847 ( -1.518 6.357 -0.331) 6.544 12.987 ( 12.289 -4.536 -2.095) 13.266 13.650 ( 4.911 -1.511 2.636) 5.775 ======================= Grid point 113 (40/150) ======================= q-point: ( 0.27 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 17.131 5.093 7.982) 19.574 1.812 ( 20.338 -9.952 3.701) 22.943 2.390 ( 6.193 4.664 -3.490) 8.502 2.536 ( 3.066 0.699 2.637) 4.104 2.705 ( 8.704 -4.419 -2.457) 10.066 2.923 ( 5.891 2.925 -3.270) 7.346 2.971 ( -1.392 0.952 -1.160) 2.047 2.987 ( -0.664 -0.473 1.810) 1.985 3.181 ( 1.076 0.111 8.415) 8.484 3.746 ( 26.751 3.489 -0.828) 26.990 3.992 ( -3.311 -6.830 1.017) 7.658 4.310 ( 10.604 2.340 0.601) 10.876 6.157 ( 5.426 8.550 -1.851) 10.294 7.092 ( -7.999 2.238 3.286) 8.932 8.408 ( -2.072 -3.335 -4.739) 6.154 8.449 ( 2.895 1.317 -0.389) 3.205 8.840 ( -4.972 -2.256 -3.579) 6.529 9.008 ( -12.099 0.128 0.108) 12.100 10.397 ( 6.540 -0.462 0.162) 6.559 10.929 ( 15.083 -4.217 -0.071) 15.662 12.048 ( -20.022 4.268 -0.311) 20.474 12.771 ( -6.147 8.010 -0.230) 10.099 13.246 ( 12.153 -6.494 -2.774) 14.056 13.721 ( 2.145 -1.651 2.844) 3.926 ======================= Grid point 114 (41/150) ======================= q-point: ( 0.36 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 15.583 3.267 4.073) 16.434 2.135 ( 10.082 -11.718 1.588) 15.539 2.471 ( 2.996 0.410 -1.595) 3.419 2.587 ( 2.193 -1.299 2.318) 3.445 2.853 ( 1.906 2.303 1.741) 3.459 2.915 ( -2.881 0.046 -1.059) 3.070 3.018 ( 5.483 -2.136 0.463) 5.903 3.068 ( 8.671 1.909 -1.508) 9.006 3.176 ( -0.371 0.317 4.337) 4.364 3.859 ( -8.638 -4.255 0.001) 9.629 4.288 ( 22.377 2.641 -0.672) 22.542 4.533 ( 9.759 1.205 -0.018) 9.833 6.300 ( 8.367 8.196 -0.619) 11.728 6.909 ( -9.637 4.200 2.608) 10.831 8.382 ( 0.029 -4.039 -4.783) 6.260 8.483 ( 0.823 0.413 -0.504) 1.050 8.716 ( -6.957 -2.399 -3.265) 8.051 8.776 ( -10.000 0.891 -0.079) 10.040 10.567 ( 10.020 -1.980 1.386) 10.307 11.205 ( 6.526 -11.546 -0.350) 13.267 11.739 ( -5.253 13.494 0.558) 14.491 12.587 ( -11.760 8.900 -0.147) 14.749 13.468 ( 9.225 -6.917 -2.347) 11.766 13.741 ( -0.239 -2.916 2.400) 3.784 ======================= Grid point 115 (42/150) ======================= q-point: ( 0.45 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 11.040 0.627 1.119) 11.114 2.201 ( -3.133 -4.431 0.165) 5.430 2.549 ( 4.349 -6.112 1.500) 7.650 2.610 ( -0.775 -5.717 2.652) 6.349 2.842 ( -0.536 5.016 4.140) 6.526 2.862 ( -2.103 2.460 -0.362) 3.256 3.099 ( 2.766 -1.190 -1.315) 3.286 3.140 ( -1.328 -1.097 1.230) 2.117 3.355 ( 14.699 -0.160 -0.130) 14.700 3.640 ( -12.510 -2.261 -0.116) 12.714 4.615 ( 9.056 1.191 -0.760) 9.166 4.672 ( 2.838 0.742 -0.619) 2.998 6.492 ( 10.011 7.302 0.595) 12.405 6.702 ( -10.328 5.935 1.686) 12.031 8.423 ( 3.920 -4.296 -4.169) 7.156 8.495 ( -0.377 -2.204 -1.549) 2.720 8.580 ( -4.555 -0.125 -2.365) 5.133 8.612 ( -5.700 1.612 -0.228) 5.927 10.803 ( 12.777 -3.745 1.242) 13.373 11.079 ( -13.157 -7.696 0.527) 15.252 11.928 ( 17.394 11.733 0.270) 20.984 12.292 ( -16.698 9.547 -0.014) 19.235 13.622 ( 5.831 -6.197 -0.877) 8.554 13.710 ( -2.809 -4.701 1.006) 5.568 ======================= Grid point 121 (43/150) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 22.358 -5.620) 23.054 1.265 ( 0.000 27.476 5.219) 27.967 1.491 ( 0.000 16.990 16.734) 23.847 2.290 ( 0.000 -2.238 -0.601) 2.317 2.363 ( 0.000 3.709 -4.142) 5.560 2.568 ( 0.000 -0.026 -7.365) 7.365 2.873 ( 0.000 -3.352 0.172) 3.357 2.961 ( 0.000 -5.326 -4.098) 6.720 3.215 ( 0.000 4.948 3.637) 6.141 3.395 ( 0.000 -14.245 0.998) 14.280 3.573 ( 0.000 -2.889 13.852) 14.150 4.151 ( 0.000 -7.987 3.569) 8.748 6.258 ( 0.000 13.505 -3.811) 14.033 7.273 ( 0.000 -6.275 1.500) 6.452 8.337 ( 0.000 10.772 0.008) 10.772 8.523 ( 0.000 2.584 -1.132) 2.821 8.909 ( 0.000 -4.320 -3.032) 5.277 9.297 ( 0.000 -9.608 0.142) 9.609 10.359 ( 0.000 7.532 -9.777) 12.342 10.501 ( 0.000 -0.008 1.119) 1.119 12.768 ( 0.000 4.540 -2.029) 4.973 12.892 ( 0.000 3.842 -0.051) 3.842 13.200 ( 0.000 -2.681 -0.056) 2.682 13.214 ( 0.000 -5.415 0.794) 5.473 ======================= Grid point 122 (44/150) ======================= q-point: ( 0.09 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 9.365 16.029 -2.297) 18.706 1.299 ( 3.770 16.179 14.239) 21.880 1.860 ( 27.026 16.689 2.758) 31.884 2.315 ( 2.645 -2.588 0.959) 3.823 2.455 ( 9.120 4.378 -3.460) 10.692 2.573 ( 0.723 0.092 -6.237) 6.280 2.880 ( 1.155 -1.995 0.447) 2.348 2.955 ( -0.443 -5.144 -3.965) 6.510 3.200 ( -1.338 3.362 4.565) 5.825 3.425 ( 1.250 -4.645 3.479) 5.936 3.613 ( 5.544 -6.873 9.406) 12.902 4.137 ( -0.575 -6.719 1.904) 7.007 6.267 ( 0.899 13.900 -3.712) 14.416 7.261 ( -1.221 -5.150 1.457) 5.490 8.367 ( 2.632 8.653 -0.099) 9.045 8.488 ( -2.989 1.188 -1.813) 3.692 8.902 ( -0.660 -3.380 -3.137) 4.658 9.296 ( -1.510 -8.079 0.787) 8.257 10.350 ( -0.811 5.427 -7.497) 9.291 10.524 ( 2.521 -0.955 1.007) 2.878 12.758 ( 1.419 -0.063 -0.844) 1.652 12.874 ( -16.732 -1.988 -0.255) 16.852 12.962 ( 3.580 6.701 -0.959) 7.658 13.453 ( 9.688 -3.824 0.972) 10.461 ======================= Grid point 123 (45/150) ======================= q-point: ( 0.18 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 18.846 5.590 1.294) 19.700 1.433 ( 9.424 7.548 11.695) 16.809 2.259 ( 8.328 -0.519 -4.144) 9.316 2.436 ( 9.865 -0.322 1.880) 10.047 2.573 ( 1.211 3.197 -3.837) 5.139 2.771 ( 14.600 4.082 -2.341) 15.340 2.928 ( 1.157 -2.672 -0.094) 2.913 2.979 ( 7.206 1.451 1.637) 7.531 3.168 ( -1.285 0.762 6.128) 6.308 3.476 ( 7.177 5.063 1.680) 8.943 3.772 ( 7.275 -9.539 4.435) 12.790 4.165 ( 4.451 -3.576 0.036) 5.710 6.301 ( 2.643 14.522 -3.349) 15.136 7.219 ( -3.007 -2.268 1.232) 3.963 8.410 ( -3.200 -1.011 -2.705) 4.311 8.429 ( 1.696 2.981 -0.731) 3.507 8.875 ( -2.260 -1.883 -2.652) 3.960 9.199 ( -7.791 -4.024 0.954) 8.821 10.342 ( 0.684 2.650 -2.957) 4.029 10.623 ( 7.399 -3.282 0.434) 8.106 12.501 ( -17.962 1.572 -0.493) 18.037 12.870 ( 8.060 -6.492 -0.910) 10.390 13.015 ( 0.895 9.922 -1.039) 10.016 13.607 ( 5.297 -3.144 1.359) 6.308 ======================= Grid point 124 (46/150) ======================= q-point: ( 0.27 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 17.202 4.710 3.737) 18.222 1.674 ( 13.330 -2.847 6.220) 14.983 2.349 ( 2.683 -5.410 -0.271) 6.044 2.574 ( 1.456 -2.582 -3.734) 4.767 2.684 ( 10.985 4.646 -0.981) 11.967 2.906 ( 1.784 -1.681 0.362) 2.478 2.937 ( 1.091 -3.161 -0.523) 3.385 3.083 ( -0.151 5.618 2.174) 6.026 3.187 ( 1.732 1.443 6.604) 6.978 3.804 ( 7.724 -4.909 -0.052) 9.152 3.883 ( 17.341 3.084 1.173) 17.652 4.336 ( 11.038 -0.005 -0.195) 11.040 6.380 ( 5.142 14.441 -2.692) 15.564 7.134 ( -5.242 1.500 0.844) 5.518 8.330 ( -3.545 -4.341 -3.561) 6.640 8.463 ( 0.855 -0.619 -1.030) 1.475 8.800 ( -5.031 -1.137 -1.964) 5.519 9.002 ( -10.618 -1.003 0.396) 10.672 10.396 ( 4.759 0.780 0.048) 4.823 10.819 ( 10.770 -7.088 -0.289) 12.897 12.165 ( -13.483 8.032 0.184) 15.696 12.966 ( -3.979 10.877 -0.664) 11.601 13.078 ( 9.504 -9.862 -1.711) 13.802 13.673 ( 1.206 -3.583 1.528) 4.078 ======================= Grid point 125 (47/150) ======================= q-point: ( 0.36 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 12.538 3.890 3.279) 13.530 1.936 ( 11.060 -8.566 3.669) 14.462 2.395 ( 2.126 -5.372 1.497) 5.969 2.585 ( -0.305 -0.262 -2.219) 2.255 2.868 ( 2.960 -1.327 -2.592) 4.153 2.938 ( -1.574 -0.169 6.577) 6.765 2.964 ( 7.001 -0.831 0.438) 7.063 3.097 ( 2.151 0.778 0.212) 2.297 3.210 ( 2.033 3.603 1.492) 4.398 3.746 ( -6.279 -7.364 0.828) 9.713 4.360 ( 20.075 4.708 -0.566) 20.628 4.558 ( 9.444 1.123 -0.409) 9.520 6.510 ( 7.363 13.312 -1.885) 15.329 7.006 ( -7.124 5.271 0.290) 8.866 8.285 ( -0.430 -5.590 -3.563) 6.642 8.461 ( -1.132 -3.710 -1.662) 4.220 8.683 ( -5.761 -0.055 -1.446) 5.939 8.794 ( -9.059 0.738 -0.076) 9.090 10.533 ( 8.289 -1.123 1.031) 8.428 10.985 ( 3.009 -11.354 -0.595) 11.761 12.017 ( 0.930 15.715 0.781) 15.761 12.809 ( -10.923 13.645 -0.593) 17.489 13.278 ( 9.277 -12.829 -1.464) 15.900 13.660 ( -2.348 -5.642 1.250) 6.238 ======================= Grid point 126 (48/150) ======================= q-point: ( 0.45 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 6.262 -2.280 1.822) 6.908 2.085 ( 2.539 -6.722 2.612) 7.646 2.457 ( 4.255 -2.816 1.978) 5.472 2.548 ( -3.559 -0.617 0.149) 3.615 2.881 ( 0.217 -0.468 2.064) 2.128 2.898 ( -1.575 0.447 5.690) 5.921 3.078 ( 3.165 -0.568 -2.623) 4.150 3.118 ( -0.815 -1.041 -0.138) 1.330 3.352 ( 10.913 -0.037 0.502) 10.924 3.577 ( -10.019 -4.344 0.531) 10.933 4.647 ( 7.746 2.128 -0.673) 8.061 4.691 ( 2.860 1.232 -0.636) 3.178 6.675 ( 8.396 11.288 -1.107) 14.111 6.847 ( -8.222 8.571 -0.387) 11.883 8.319 ( 3.582 -6.192 -3.239) 7.853 8.408 ( -4.125 -6.406 -2.674) 8.075 8.604 ( -0.982 2.245 -0.678) 2.543 8.647 ( -4.900 1.905 -0.342) 5.268 10.724 ( 9.976 -3.959 0.890) 10.770 10.919 ( -7.946 -8.476 0.160) 11.620 12.201 ( 14.712 16.349 0.310) 21.996 12.529 ( -15.732 14.750 -0.282) 21.567 13.451 ( 7.451 -11.713 -0.623) 13.896 13.581 ( -5.194 -8.802 0.445) 10.230 ======================= Grid point 132 (49/150) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 19.890 -8.167) 21.501 1.654 ( 0.000 -0.336 3.135) 3.153 1.738 ( 0.000 21.507 2.356) 21.636 2.212 ( 0.000 -5.867 -0.279) 5.873 2.490 ( 0.000 9.803 -2.924) 10.229 2.618 ( 0.000 5.261 -5.560) 7.654 2.835 ( 0.000 -5.519 -3.729) 6.661 2.890 ( 0.000 3.839 6.578) 7.616 3.084 ( 0.000 -17.992 0.643) 18.003 3.216 ( 0.000 -5.368 11.162) 12.385 3.621 ( 0.000 6.996 3.130) 7.664 3.977 ( 0.000 -9.973 2.999) 10.415 6.544 ( 0.000 16.156 -3.927) 16.627 7.105 ( 0.000 -11.465 -1.237) 11.532 8.569 ( 0.000 13.379 0.057) 13.379 8.595 ( 0.000 4.884 -1.290) 5.052 8.814 ( 0.000 -5.678 -2.329) 6.137 9.084 ( 0.000 -12.596 0.121) 12.596 10.444 ( 0.000 2.635 -1.972) 3.291 10.497 ( 0.000 -0.531 1.801) 1.878 12.871 ( 0.000 6.126 -2.131) 6.486 12.973 ( 0.000 4.565 -0.032) 4.565 13.109 ( 0.000 -5.885 -0.629) 5.919 13.138 ( 0.000 -3.765 -0.036) 3.765 ======================= Grid point 133 (50/150) ======================= q-point: ( 0.09 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 1.124 17.671 -6.570) 18.887 1.522 ( -2.765 5.158 6.463) 8.719 2.050 ( 14.957 5.213 -3.319) 16.184 2.251 ( 3.951 -4.312 1.313) 5.994 2.609 ( 12.023 11.282 -1.945) 16.602 2.635 ( 1.668 5.759 -5.183) 7.925 2.844 ( 0.595 -5.954 -4.771) 7.653 2.906 ( 2.966 5.533 8.055) 10.212 3.125 ( 1.108 -10.753 7.322) 13.056 3.295 ( 9.145 -8.799 3.775) 13.240 3.622 ( 0.583 6.883 3.280) 7.647 3.979 ( 0.804 -9.559 1.926) 9.785 6.560 ( 1.461 16.427 -3.928) 16.953 7.112 ( 0.605 -10.658 -1.386) 10.764 8.529 ( -5.496 3.241 -1.476) 6.549 8.533 ( -2.908 7.303 -0.560) 7.881 8.849 ( 2.514 -1.030 -1.678) 3.193 9.118 ( 1.715 -10.412 0.592) 10.568 10.422 ( -1.840 2.712 -1.869) 3.772 10.500 ( 0.741 -1.588 1.521) 2.320 12.768 ( -4.686 1.034 -0.848) 4.873 12.833 ( -14.173 -2.201 -0.382) 14.348 13.103 ( 7.161 7.844 -1.041) 10.672 13.366 ( 10.006 -5.432 -0.063) 11.385 ======================= Grid point 134 (51/150) ======================= q-point: ( 0.18 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 11.222 9.917 -2.139) 15.128 1.547 ( 4.779 2.359 5.723) 7.821 2.218 ( 3.727 -0.980 -1.596) 4.171 2.369 ( 6.115 -5.420 -0.638) 8.196 2.687 ( 3.396 5.943 -4.234) 8.048 2.836 ( 5.703 2.376 0.507) 6.199 2.851 ( 0.608 -2.774 -1.542) 3.232 3.102 ( 7.662 0.292 7.343) 10.617 3.133 ( 6.798 5.040 6.068) 10.413 3.519 ( 10.356 -6.711 0.293) 12.344 3.691 ( 7.933 6.506 2.388) 10.534 4.055 ( 7.941 -7.961 0.249) 11.248 6.604 ( 2.844 16.720 -3.857) 17.393 7.123 ( 0.242 -8.276 -1.760) 8.465 8.399 ( -6.632 0.715 -1.833) 6.918 8.469 ( -3.171 0.021 -1.072) 3.347 8.876 ( -0.528 2.661 -0.726) 2.808 9.099 ( -4.040 -6.378 0.947) 7.609 10.396 ( 0.062 3.248 -1.101) 3.430 10.549 ( 4.448 -4.287 0.551) 6.202 12.547 ( -12.460 3.390 -0.228) 12.915 12.743 ( 1.733 -6.584 -0.353) 6.818 13.213 ( 3.039 10.405 -1.103) 10.896 13.526 ( 5.309 -5.561 0.144) 7.689 ======================= Grid point 135 (52/150) ======================= q-point: ( 0.27 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 14.047 2.468 1.889) 14.387 1.694 ( 8.777 1.100 4.413) 9.885 2.278 ( 2.811 -0.486 0.814) 2.967 2.478 ( 4.510 -6.544 -2.578) 8.355 2.768 ( 4.132 2.624 -2.844) 5.661 2.856 ( 0.511 -3.539 -0.339) 3.592 2.930 ( 3.973 3.433 4.314) 6.796 3.101 ( -0.584 -2.595 5.342) 5.967 3.290 ( 2.200 8.034 1.925) 8.550 3.634 ( 0.564 -9.864 1.586) 10.007 4.032 ( 22.563 9.129 -0.272) 24.341 4.301 ( 14.133 -3.805 -0.418) 14.642 6.676 ( 4.194 15.986 -3.625) 16.920 7.114 ( -1.220 -4.456 -2.181) 5.109 8.274 ( -5.172 -0.821 -1.886) 5.566 8.407 ( -2.846 -4.958 -1.415) 5.889 8.820 ( -4.591 3.081 -0.311) 5.538 8.965 ( -8.205 -2.927 0.516) 8.726 10.437 ( 3.788 3.623 -0.084) 5.242 10.674 ( 6.834 -7.905 -0.328) 10.454 12.348 ( -6.048 11.083 0.413) 12.632 12.831 ( 6.430 -13.269 -0.491) 14.753 13.214 ( -3.134 12.265 -1.046) 12.703 13.580 ( -0.089 -6.421 0.215) 6.425 ======================= Grid point 136 (53/150) ======================= q-point: ( 0.36 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 9.004 -2.574 4.605) 10.436 1.878 ( 8.280 -1.025 3.174) 8.926 2.350 ( 4.538 1.734 1.223) 5.010 2.550 ( 2.308 -3.874 -3.047) 5.443 2.833 ( 1.776 -1.651 0.833) 2.564 2.868 ( 0.510 -3.527 3.566) 5.042 3.016 ( 4.282 3.202 2.241) 5.798 3.097 ( 0.312 -0.747 1.140) 1.398 3.305 ( 0.689 6.135 0.771) 6.221 3.593 ( -3.923 -8.486 1.265) 9.434 4.454 ( 16.685 4.854 -0.580) 17.386 4.565 ( 10.560 -0.574 -0.615) 10.593 6.774 ( 5.266 13.704 -3.302) 15.047 7.070 ( -3.060 0.393 -2.530) 3.990 8.203 ( -1.494 -2.135 -1.895) 3.222 8.348 ( -3.081 -7.244 -1.719) 8.058 8.715 ( -4.849 2.788 -0.401) 5.607 8.796 ( -7.536 -0.647 -0.108) 7.564 10.542 ( 6.105 2.343 0.503) 6.559 10.783 ( 2.795 -9.748 -0.466) 10.151 12.331 ( 4.813 17.293 0.632) 17.961 12.991 ( 8.628 -15.337 -0.497) 17.604 13.082 ( -9.444 12.925 -0.919) 16.034 13.524 ( -5.112 -8.741 0.118) 10.126 ======================= Grid point 137 (54/150) ======================= q-point: ( 0.45 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 3.905 -4.116 4.262) 7.096 1.985 ( 1.701 -4.431 3.815) 6.089 2.465 ( 5.955 3.083 0.198) 6.709 2.556 ( -2.179 0.466 -1.934) 2.950 2.853 ( 0.610 -2.097 4.857) 5.326 2.866 ( -0.626 -2.788 6.587) 7.180 3.082 ( 1.955 0.742 -2.383) 3.170 3.104 ( -0.168 -0.473 -1.224) 1.322 3.362 ( 5.139 1.304 1.023) 5.400 3.487 ( -6.136 -4.816 1.072) 7.873 4.688 ( 6.021 1.919 -0.643) 6.352 4.712 ( 3.341 0.720 -0.650) 3.479 6.886 ( 5.438 10.104 -3.026) 11.867 6.991 ( -4.593 5.518 -2.796) 7.705 8.213 ( 2.244 -4.209 -1.961) 5.157 8.278 ( -3.613 -6.619 -1.938) 7.786 8.649 ( -1.135 2.214 -0.534) 2.544 8.676 ( -3.777 0.975 -0.472) 3.929 10.672 ( 6.159 -1.230 0.513) 6.301 10.775 ( -3.282 -6.406 0.061) 7.198 12.529 ( 13.368 17.962 0.131) 22.391 12.826 ( -14.302 16.017 -0.491) 21.479 13.189 ( 9.743 -15.627 -0.373) 18.419 13.381 ( -8.548 -12.279 -0.108) 14.962 ======================= Grid point 143 (55/150) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 -13.053 -5.543) 14.181 1.515 ( 0.000 13.053 -5.543) 14.181 2.052 ( 0.000 -11.783 0.215) 11.785 2.052 ( 0.000 11.783 0.215) 11.785 2.723 ( 0.000 -5.618 -6.178) 8.350 2.723 ( 0.000 5.618 -6.178) 8.350 2.745 ( 0.000 -16.730 -0.539) 16.739 2.745 ( 0.000 16.730 -0.539) 16.739 3.050 ( 0.000 -10.645 13.234) 16.984 3.050 ( 0.000 10.645 13.234) 16.984 3.787 ( 0.000 -9.787 1.767) 9.945 3.787 ( 0.000 9.787 1.767) 9.945 6.848 ( 0.000 -15.304 -3.216) 15.638 6.848 ( 0.000 15.304 -3.216) 15.638 8.701 ( 0.000 -6.056 -1.657) 6.278 8.701 ( 0.000 6.056 -1.657) 6.278 8.830 ( 0.000 -13.919 0.094) 13.919 8.830 ( 0.000 13.919 0.094) 13.919 10.480 ( 0.000 -1.300 1.191) 1.763 10.480 ( 0.000 1.300 1.191) 1.763 12.991 ( 0.000 -6.413 -1.555) 6.599 12.991 ( 0.000 6.413 -1.555) 6.599 13.059 ( 0.000 -4.467 -0.026) 4.467 13.059 ( 0.000 4.467 -0.026) 4.467 ======================= Grid point 145 (56/150) ======================= q-point: ( 0.09 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -2.429 -10.755 -3.905) 11.697 1.458 ( -2.429 10.755 -3.905) 11.697 2.152 ( 6.572 -5.867 -0.056) 8.810 2.152 ( 6.572 5.867 -0.056) 8.810 2.736 ( 1.257 -4.896 -5.740) 7.648 2.736 ( 1.257 4.896 -5.740) 7.648 2.857 ( 8.394 -13.704 1.538) 16.144 2.857 ( 8.394 13.704 1.538) 16.144 3.102 ( 6.681 -11.104 10.372) 16.599 3.102 ( 6.681 11.104 10.372) 16.599 3.791 ( 0.848 -9.956 1.362) 10.084 3.791 ( 0.848 9.956 1.362) 10.084 6.864 ( 1.529 -15.127 -3.335) 15.565 6.864 ( 1.529 15.127 -3.335) 15.565 8.585 ( -7.448 -1.774 -1.400) 7.783 8.585 ( -7.448 1.774 -1.400) 7.783 8.925 ( 4.969 -8.808 0.089) 10.113 8.925 ( 4.969 8.808 0.089) 10.113 10.465 ( -0.943 -2.040 0.854) 2.404 10.465 ( -0.943 2.040 0.854) 2.404 12.795 ( -10.033 -1.781 -0.620) 10.209 12.795 ( -10.033 1.781 -0.620) 10.209 13.247 ( 9.243 -7.103 -0.716) 11.679 13.247 ( 9.243 7.103 -0.716) 11.679 ======================= Grid point 147 (57/150) ======================= q-point: ( 0.18 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 5.568 -7.732 -0.977) 9.579 1.489 ( 5.568 7.732 -0.977) 9.579 2.262 ( 4.298 -5.032 0.228) 6.622 2.262 ( 4.298 5.032 0.228) 6.622 2.769 ( 1.747 -3.592 -4.605) 6.096 2.769 ( 1.747 3.592 -4.605) 6.096 2.969 ( 3.055 -8.405 7.182) 11.470 2.969 ( 3.055 8.405 7.182) 11.470 3.337 ( 11.558 -10.781 2.931) 16.075 3.337 ( 11.558 10.781 2.931) 16.075 3.875 ( 9.592 -10.518 0.392) 14.240 3.875 ( 9.592 10.518 0.392) 14.240 6.905 ( 2.296 -14.339 -3.599) 14.961 6.905 ( 2.296 14.339 -3.599) 14.961 8.436 ( -6.894 -2.637 -1.288) 7.493 8.436 ( -6.894 2.637 -1.288) 7.493 8.971 ( -0.925 -6.593 0.468) 6.674 8.971 ( -0.925 6.593 0.468) 6.674 10.467 ( 1.655 -4.189 0.133) 4.506 10.467 ( 1.655 4.189 0.133) 4.506 12.629 ( -5.598 -5.288 -0.142) 7.702 12.629 ( -5.598 5.288 -0.142) 7.702 13.393 ( 4.623 -8.392 -0.707) 9.607 13.393 ( 4.623 8.392 -0.707) 9.607 ======================= Grid point 149 (58/150) ======================= q-point: ( 0.27 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 9.458 -4.263 2.116) 10.588 1.655 ( 9.458 4.263 2.116) 10.588 2.346 ( 4.225 -6.529 -0.087) 7.777 2.346 ( 4.225 6.529 -0.087) 7.777 2.803 ( 1.459 -1.962 -1.733) 2.997 2.803 ( 1.459 1.962 -1.733) 2.997 3.023 ( 2.457 -5.185 5.432) 7.901 3.023 ( 2.457 5.185 5.432) 7.901 3.453 ( 0.934 -9.086 1.390) 9.238 3.453 ( 0.934 9.086 1.390) 9.238 4.193 ( 18.454 -7.434 -0.386) 19.899 4.193 ( 18.454 7.434 -0.386) 19.899 6.953 ( 2.225 -12.301 -3.825) 13.073 6.953 ( 2.225 12.301 -3.825) 13.073 8.310 ( -5.196 -4.301 -1.150) 6.842 8.310 ( -5.196 4.301 -1.150) 6.842 8.895 ( -5.804 -4.230 0.329) 7.190 8.895 ( -5.804 4.230 0.329) 7.190 10.534 ( 4.425 -6.528 -0.220) 7.889 10.534 ( 4.425 6.528 -0.220) 7.889 12.578 ( 0.838 -13.062 0.178) 13.090 12.578 ( 0.838 13.062 0.178) 13.090 13.426 ( -1.583 -9.789 -0.690) 9.940 13.426 ( -1.583 9.789 -0.690) 9.940 ======================= Grid point 151 (59/150) ======================= q-point: ( 0.36 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 6.994 -2.381 4.190) 8.494 1.832 ( 6.994 2.381 4.190) 8.494 2.443 ( 5.118 -6.601 -0.994) 8.412 2.443 ( 5.118 6.601 -0.994) 8.412 2.825 ( 0.673 -0.989 2.336) 2.624 2.825 ( 0.673 0.989 2.336) 2.624 3.069 ( 1.875 -2.224 1.766) 3.403 3.069 ( 1.875 2.224 1.766) 3.403 3.437 ( -1.672 -7.761 1.091) 8.014 3.437 ( -1.672 7.761 1.091) 8.014 4.531 ( 13.180 -3.036 -0.637) 13.540 4.531 ( 13.180 3.036 -0.637) 13.540 6.993 ( 1.700 -8.476 -3.938) 9.499 6.993 ( 1.700 8.476 -3.938) 9.499 8.227 ( -2.904 -4.550 -1.176) 5.524 8.227 ( -2.904 4.550 -1.176) 5.524 8.767 ( -5.857 -2.345 -0.189) 6.311 8.767 ( -5.857 2.345 -0.189) 6.311 10.626 ( 4.058 -6.556 -0.047) 7.710 10.626 ( 4.058 6.556 -0.047) 7.710 12.666 ( 7.487 -17.816 0.162) 19.326 12.666 ( 7.487 17.816 0.162) 19.326 13.328 ( -7.773 -11.922 -0.635) 14.246 13.328 ( -7.773 11.922 -0.635) 14.246 ======================= Grid point 153 (60/150) ======================= q-point: ( 0.45 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 2.274 -0.968 4.753) 5.357 1.928 ( 2.274 0.968 4.753) 5.357 2.534 ( 2.874 -3.060 -2.016) 4.657 2.534 ( 2.874 3.060 -2.016) 4.657 2.830 ( -0.075 -0.454 6.602) 6.618 2.830 ( -0.075 0.454 6.602) 6.618 3.095 ( 0.656 -0.551 -1.670) 1.877 3.095 ( 0.656 0.551 -1.670) 1.877 3.406 ( -0.933 -3.400 1.228) 3.734 3.406 ( -0.933 3.400 1.228) 3.734 4.713 ( 4.429 -0.643 -0.644) 4.521 4.713 ( 4.429 0.643 -0.644) 4.521 7.019 ( 0.682 -3.040 -3.987) 5.060 7.019 ( 0.682 3.040 -3.987) 5.060 8.189 ( -0.872 -2.017 -1.298) 2.552 8.189 ( -0.872 2.017 -1.298) 2.552 8.679 ( -2.349 -0.781 -0.546) 2.535 8.679 ( -2.349 0.781 -0.546) 2.535 10.686 ( 1.540 -2.787 0.211) 3.191 10.686 ( 1.540 2.787 0.211) 3.191 12.869 ( 11.716 -17.666 -0.125) 21.199 12.869 ( 11.716 17.666 -0.125) 21.199 13.122 ( -11.726 -14.831 -0.448) 18.912 13.122 ( -11.726 14.831 -0.448) 18.912 ======================= Grid point 198 (61/150) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 0.000 18.731) 18.731 0.942 ( 0.000 0.000 21.849) 21.849 1.360 ( 0.000 0.000 29.655) 29.655 2.105 ( 0.000 0.000 -9.721) 9.721 2.370 ( 0.000 0.000 -0.100) 0.100 2.387 ( 0.000 0.000 -4.782) 4.782 2.910 ( 0.000 0.000 -7.978) 7.978 2.942 ( 0.000 0.000 -6.633) 6.633 3.184 ( 0.000 0.000 3.828) 3.828 3.711 ( 0.000 0.000 1.512) 1.512 4.261 ( 0.000 0.000 -0.312) 0.312 4.286 ( 0.000 0.000 4.230) 4.230 5.898 ( 0.000 0.000 -4.044) 4.044 7.479 ( 0.000 0.000 6.099) 6.099 8.114 ( 0.000 0.000 -0.084) 0.084 8.490 ( 0.000 0.000 0.182) 0.182 8.929 ( 0.000 0.000 -6.549) 6.549 9.493 ( 0.000 0.000 0.232) 0.232 9.535 ( 0.000 0.000 0.214) 0.214 10.496 ( 0.000 0.000 -0.194) 0.194 12.693 ( 0.000 0.000 -0.362) 0.362 12.809 ( 0.000 0.000 -0.118) 0.118 13.249 ( 0.000 0.000 -0.115) 0.115 13.371 ( 0.000 0.000 -3.145) 3.145 ======================= Grid point 199 (62/150) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 17.568 0.000 17.301) 24.656 1.194 ( 19.175 0.000 17.734) 26.118 1.487 ( 19.755 0.000 19.478) 27.743 2.228 ( 11.677 0.000 -8.697) 14.560 2.422 ( 3.387 0.000 -4.897) 5.954 2.427 ( 5.449 0.000 -1.278) 5.597 2.865 ( -3.084 0.000 -7.507) 8.116 2.936 ( -0.574 0.000 -6.582) 6.607 3.159 ( -1.900 0.000 4.696) 5.066 3.756 ( 1.993 0.000 5.308) 5.670 4.093 ( -10.736 0.000 8.983) 13.998 4.239 ( -2.101 0.000 -0.233) 2.114 5.902 ( 0.626 0.000 -3.802) 3.853 7.443 ( -3.484 0.000 6.024) 6.959 8.181 ( 5.963 0.000 -0.131) 5.965 8.437 ( -3.590 0.000 -2.081) 4.150 8.872 ( -2.587 0.000 -5.797) 6.348 9.459 ( -7.165 0.000 0.166) 7.167 9.828 ( 21.487 0.000 -6.106) 22.338 10.538 ( 4.295 0.000 -0.137) 4.298 12.767 ( 6.915 0.000 -1.171) 7.013 12.808 ( -0.321 0.000 -0.084) 0.332 12.911 ( -20.727 0.000 -1.519) 20.782 13.578 ( 9.402 0.000 0.652) 9.424 ======================= Grid point 200 (63/150) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 8.364 0.000 19.308) 21.042 1.576 ( 22.971 0.000 10.884) 25.418 1.994 ( 18.814 0.000 1.409) 18.867 2.487 ( 8.141 0.000 0.440) 8.153 2.527 ( 6.804 0.000 -5.117) 8.514 2.633 ( 11.823 0.000 -5.647) 13.102 2.918 ( -1.243 0.000 -6.314) 6.435 2.919 ( 16.146 0.000 -3.468) 16.514 3.121 ( -1.360 0.000 5.675) 5.835 3.671 ( -7.261 0.000 11.308) 13.438 4.096 ( 8.437 0.000 2.678) 8.852 4.174 ( -4.291 0.000 -0.212) 4.296 5.938 ( 3.177 0.000 -2.959) 4.341 7.337 ( -6.772 0.000 5.774) 8.900 8.321 ( 6.740 0.000 -0.227) 6.744 8.368 ( -3.182 0.000 -5.775) 6.594 8.828 ( -2.248 0.000 -5.775) 6.197 9.259 ( -11.672 0.000 0.056) 11.673 10.183 ( 13.230 0.000 -3.195) 13.611 10.686 ( 10.458 0.000 -0.008) 10.458 12.455 ( -22.636 0.000 -1.450) 22.682 12.783 ( -2.457 0.000 -0.006) 2.457 12.977 ( 12.140 0.000 -2.778) 12.454 13.729 ( 5.520 0.000 2.858) 6.217 ======================= Grid point 201 (64/150) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 11.966 0.000 13.204) 17.819 2.032 ( 20.369 0.000 5.632) 21.133 2.243 ( 7.123 0.000 -1.226) 7.228 2.604 ( 4.556 0.000 2.047) 4.995 2.705 ( 10.417 0.000 -5.215) 11.649 2.755 ( 4.127 0.000 -7.073) 8.189 2.888 ( -1.355 0.000 -5.250) 5.422 3.080 ( -0.809 0.000 7.191) 7.237 3.364 ( 5.686 0.000 8.692) 10.387 3.707 ( 21.410 0.000 -0.012) 21.410 4.060 ( -6.839 0.000 -0.413) 6.851 4.309 ( 11.143 0.000 1.235) 11.211 6.041 ( 6.988 0.000 -1.508) 7.149 7.168 ( -9.553 0.000 5.278) 10.914 8.309 ( -2.322 0.000 -7.572) 7.920 8.429 ( 3.470 0.000 -0.275) 3.481 8.763 ( -4.350 0.000 -5.458) 6.980 9.004 ( -12.565 0.000 -0.050) 12.565 10.414 ( 10.223 0.000 0.893) 10.262 10.972 ( 17.195 0.000 0.099) 17.195 11.992 ( -22.089 0.000 -0.814) 22.104 12.692 ( -6.676 0.000 0.070) 6.676 13.238 ( 12.648 0.000 -3.445) 13.109 13.810 ( 2.439 0.000 3.489) 4.257 ======================= Grid point 202 (65/150) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 12.675 0.000 8.597) 15.315 2.317 ( 0.399 0.000 0.982) 1.060 2.380 ( 13.311 0.000 0.467) 13.319 2.697 ( 4.527 0.000 2.818) 5.332 2.807 ( -2.428 0.000 -6.588) 7.021 2.823 ( 1.987 0.000 -5.029) 5.407 3.012 ( 15.005 0.000 -1.367) 15.067 3.084 ( 1.476 0.000 5.994) 6.173 3.315 ( -4.590 0.000 7.398) 8.706 3.889 ( -9.883 0.000 -0.582) 9.900 4.244 ( 23.256 0.000 -1.116) 23.283 4.523 ( 8.997 0.000 -0.054) 8.997 6.221 ( 10.277 0.000 0.216) 10.280 6.951 ( -11.458 0.000 4.468) 12.298 8.288 ( 0.719 0.000 -7.600) 7.634 8.472 ( 1.213 0.000 -0.244) 1.237 8.646 ( -6.967 0.000 -5.258) 8.728 8.765 ( -10.353 0.000 -0.116) 10.353 10.629 ( 11.080 0.000 2.259) 11.308 11.372 ( 21.017 0.000 0.142) 21.017 11.560 ( -19.786 0.000 0.175) 19.786 12.501 ( -12.037 0.000 0.121) 12.038 13.478 ( 10.485 0.000 -2.582) 10.798 13.829 ( -0.663 0.000 2.814) 2.891 ======================= Grid point 203 (66/150) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 10.006 0.000 5.670) 11.501 2.266 ( -5.306 0.000 3.410) 6.307 2.594 ( 8.046 0.000 -3.159) 8.644 2.726 ( -5.103 0.000 -5.113) 7.224 2.782 ( 3.457 0.000 2.019) 4.003 2.831 ( -1.139 0.000 -0.938) 1.475 3.138 ( 3.567 0.000 4.405) 5.668 3.221 ( -4.375 0.000 5.234) 6.822 3.346 ( 16.194 0.000 -0.616) 16.206 3.651 ( -13.318 0.000 -0.548) 13.330 4.583 ( 9.481 0.000 -1.184) 9.554 4.648 ( 2.339 0.000 -0.970) 2.532 6.453 ( 12.032 0.000 1.879) 12.177 6.705 ( -12.315 0.000 3.322) 12.756 8.349 ( 5.237 0.000 -6.608) 8.431 8.489 ( -7.816 0.000 -5.616) 9.625 8.504 ( 2.493 0.000 -0.190) 2.501 8.592 ( -6.324 0.000 -0.152) 6.326 10.879 ( 13.445 0.000 2.023) 13.596 11.186 ( -16.571 0.000 1.195) 16.614 11.806 ( 20.680 0.000 0.150) 20.681 12.199 ( -17.189 0.000 0.144) 17.190 13.663 ( 7.422 0.000 -0.789) 7.464 13.781 ( -4.045 0.000 1.204) 4.220 ======================= Grid point 209 (67/150) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 -6.544 21.489) 22.463 0.993 ( 0.000 19.018 14.430) 23.872 1.578 ( 0.000 15.191 22.645) 27.269 2.133 ( 0.000 2.984 -9.232) 9.702 2.352 ( 0.000 -1.932 -0.271) 1.951 2.401 ( 0.000 0.620 -6.895) 6.923 2.875 ( 0.000 -2.194 -6.275) 6.648 2.924 ( 0.000 -2.229 -6.571) 6.939 3.203 ( 0.000 2.800 4.940) 5.679 3.634 ( 0.000 -7.949 1.450) 8.080 4.060 ( 0.000 -12.916 9.725) 16.168 4.312 ( 0.000 -2.200 1.321) 2.567 5.970 ( 0.000 7.425 -4.249) 8.555 7.438 ( 0.000 -4.452 4.687) 6.465 8.173 ( 0.000 6.147 -0.055) 6.147 8.482 ( 0.000 -0.159 -0.265) 0.309 8.888 ( 0.000 -3.021 -5.584) 6.349 9.443 ( 0.000 -5.244 0.223) 5.249 9.811 ( 0.000 22.117 -6.697) 23.109 10.507 ( 0.000 1.065 0.393) 1.135 12.697 ( 0.000 0.720 -0.432) 0.840 12.831 ( 0.000 2.254 -0.104) 2.256 13.236 ( 0.000 -1.367 -0.105) 1.371 13.318 ( 0.000 -4.934 -1.921) 5.294 ======================= Grid point 210 (68/150) ======================= q-point: ( 0.09 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 15.836 -8.826 18.320) 25.774 1.317 ( 17.914 11.134 14.631) 25.670 1.711 ( 16.434 15.252 13.869) 26.364 2.248 ( 11.379 2.525 -7.453) 13.835 2.398 ( 4.231 -2.111 -1.299) 4.903 2.431 ( 3.070 -0.486 -6.648) 7.338 2.857 ( -0.536 0.233 -5.287) 5.319 2.918 ( -0.531 -2.138 -6.451) 6.817 3.186 ( -1.373 3.311 5.168) 6.289 3.688 ( 2.832 -6.878 5.338) 9.155 3.986 ( -4.611 -8.781 9.663) 13.847 4.244 ( -4.054 -1.095 0.738) 4.264 5.976 ( 0.768 7.616 -4.032) 8.651 7.408 ( -2.927 -3.831 4.614) 6.673 8.231 ( 5.095 5.145 -0.128) 7.242 8.435 ( -3.630 0.029 -2.126) 4.207 8.856 ( -1.861 -1.526 -5.555) 6.054 9.430 ( -4.489 -3.698 0.795) 5.870 9.964 ( 12.639 12.448 -7.770) 19.367 10.543 ( 3.717 0.429 0.349) 3.758 12.754 ( 5.431 -1.022 -0.873) 5.595 12.843 ( 0.529 3.490 -0.295) 3.542 12.898 ( -19.401 -1.247 -1.401) 19.491 13.545 ( 9.971 -3.171 0.784) 10.492 ======================= Grid point 211 (69/150) ======================= q-point: ( 0.18 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 16.624 -5.615 14.312) 22.643 1.588 ( 13.630 2.893 13.032) 19.078 2.106 ( 15.490 7.951 -0.636) 17.423 2.478 ( 5.631 -0.850 -0.716) 5.740 2.486 ( 5.155 -3.419 -4.918) 7.903 2.646 ( 15.076 1.941 -4.647) 15.895 2.904 ( -0.697 -1.652 -6.137) 6.393 2.968 ( 16.333 4.661 -0.112) 16.986 3.160 ( -0.129 4.453 4.934) 6.647 3.638 ( -5.565 -3.158 10.667) 12.438 4.019 ( 5.250 -6.958 3.067) 9.241 4.190 ( -0.071 0.445 -0.194) 0.491 6.014 ( 3.212 7.850 -3.292) 9.098 7.318 ( -5.893 -2.234 4.354) 7.660 8.347 ( 3.737 1.925 -1.235) 4.381 8.360 ( -1.885 -0.060 -4.300) 4.696 8.819 ( -2.160 -0.832 -5.262) 5.749 9.259 ( -11.072 -0.478 0.540) 11.096 10.210 ( 10.442 2.758 -3.371) 11.314 10.674 ( 9.372 -1.336 0.204) 9.469 12.462 ( -21.243 0.768 -1.239) 21.293 12.840 ( -1.459 5.750 -0.345) 5.942 12.941 ( 10.970 -3.584 -2.343) 11.776 13.704 ( 5.687 -2.518 2.496) 6.701 ======================= Grid point 212 (70/150) ======================= q-point: ( 0.27 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 13.074 1.635 11.304) 17.361 1.919 ( 16.391 -7.508 6.819) 19.275 2.338 ( 7.854 5.232 -1.542) 9.562 2.552 ( 3.495 -4.808 -1.950) 6.256 2.637 ( 8.262 -2.790 -3.836) 9.527 2.832 ( 6.124 4.018 -6.309) 9.667 2.896 ( 1.032 0.745 -3.280) 3.518 3.103 ( -1.150 2.623 7.575) 8.098 3.371 ( 1.875 0.291 9.431) 9.620 3.731 ( 23.917 2.924 -0.526) 24.101 4.011 ( -4.901 -4.972 0.678) 7.014 4.321 ( 10.456 0.956 0.363) 10.505 6.116 ( 6.773 7.649 -2.026) 10.416 7.168 ( -8.590 -0.202 3.886) 9.430 8.287 ( -2.754 -2.065 -6.735) 7.563 8.438 ( 2.725 0.634 -0.733) 2.892 8.753 ( -4.457 -0.771 -4.662) 6.496 9.011 ( -12.397 0.479 0.145) 12.407 10.405 ( 9.181 -0.675 0.724) 9.234 10.927 ( 14.730 -4.537 -0.105) 15.413 12.040 ( -19.042 4.920 -0.413) 19.672 12.765 ( -6.066 7.381 -0.293) 9.558 13.184 ( 12.071 -5.560 -3.075) 13.641 13.784 ( 2.114 -2.731 3.055) 4.611 ======================= Grid point 213 (71/150) ======================= q-point: ( 0.36 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 12.326 2.308 7.957) 14.852 2.186 ( 8.514 -8.636 3.637) 12.660 2.448 ( 3.866 2.175 -0.794) 4.507 2.618 ( 2.239 -6.261 0.302) 6.656 2.788 ( 4.989 -0.858 -6.039) 7.880 2.877 ( 1.022 3.535 -5.070) 6.265 3.053 ( 11.603 2.647 0.885) 11.934 3.089 ( 1.214 1.477 6.052) 6.347 3.300 ( -4.856 -1.444 7.242) 8.839 3.859 ( -8.973 -3.225 0.004) 9.535 4.271 ( 22.387 2.788 -1.050) 22.584 4.530 ( 8.925 0.742 -0.286) 8.960 6.288 ( 9.790 6.866 -0.529) 11.969 6.970 ( -10.520 1.866 3.150) 11.139 8.260 ( 0.481 -2.767 -6.820) 7.376 8.466 ( 0.340 -0.997 -1.226) 1.616 8.637 ( -6.464 -0.441 -4.020) 7.625 8.774 ( -10.168 0.900 -0.111) 10.209 10.604 ( 10.361 -2.308 2.080) 10.817 11.196 ( 6.644 -12.110 -0.489) 13.821 11.754 ( -4.601 14.038 0.801) 14.794 12.584 ( -11.647 8.346 -0.203) 14.330 13.418 ( 10.389 -6.323 -2.412) 12.399 13.792 ( -1.283 -3.788 2.489) 4.710 ======================= Grid point 214 (72/150) ======================= q-point: ( 0.45 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 9.041 0.871 5.736) 10.742 2.242 ( -2.618 -2.627 4.128) 5.549 2.539 ( 4.878 -4.239 -2.162) 6.815 2.619 ( -2.269 -6.875 -1.860) 7.475 2.853 ( 2.343 3.544 -1.435) 4.484 2.888 ( -0.682 4.722 -1.809) 5.102 3.120 ( 3.194 -1.802 4.781) 6.026 3.202 ( -4.507 -1.880 5.085) 7.050 3.353 ( 14.879 0.629 -0.053) 14.892 3.638 ( -12.487 -1.534 -0.135) 12.581 4.595 ( 8.995 1.313 -1.114) 9.158 4.655 ( 2.415 0.749 -0.953) 2.702 6.507 ( 11.308 5.538 0.899) 12.623 6.743 ( -11.448 3.814 2.138) 12.254 8.316 ( 4.859 -3.296 -6.004) 8.398 8.433 ( -4.982 -4.148 -4.395) 7.832 8.542 ( -0.401 2.326 -1.138) 2.620 8.607 ( -5.916 1.438 -0.275) 6.094 10.835 ( 12.157 -4.128 1.806) 12.965 11.092 ( -11.957 -8.303 0.741) 14.576 11.935 ( 16.857 11.980 0.405) 20.685 12.292 ( -16.466 9.255 -0.016) 18.889 13.604 ( 7.705 -6.101 -0.808) 9.861 13.731 ( -4.610 -5.128 1.036) 6.973 ======================= Grid point 220 (73/150) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.000 9.247 9.267) 13.092 1.409 ( 0.000 22.936 8.938) 24.616 1.760 ( 0.000 1.642 8.790) 8.942 2.223 ( 0.000 6.682 -7.344) 9.929 2.298 ( 0.000 -3.694 -0.964) 3.818 2.413 ( 0.000 1.909 -7.421) 7.662 2.838 ( 0.000 -5.116 -6.862) 8.559 2.912 ( 0.000 5.628 2.746) 6.262 3.304 ( 0.000 7.448 5.205) 9.087 3.418 ( 0.000 -14.517 1.250) 14.571 3.846 ( 0.000 -9.253 12.472) 15.529 4.217 ( 0.000 -7.525 2.420) 7.905 6.167 ( 0.000 13.037 -4.779) 13.886 7.303 ( 0.000 -9.889 1.304) 9.974 8.337 ( 0.000 10.841 0.011) 10.841 8.501 ( 0.000 2.219 -0.884) 2.389 8.827 ( 0.000 -3.573 -4.940) 6.096 9.300 ( 0.000 -9.633 0.201) 9.635 10.186 ( 0.000 15.911 -6.482) 17.180 10.531 ( 0.000 1.241 1.706) 2.110 12.735 ( 0.000 3.477 -1.226) 3.686 12.890 ( 0.000 3.874 -0.073) 3.874 13.198 ( 0.000 -2.653 -0.079) 2.654 13.209 ( 0.000 -6.262 -1.257) 6.387 ======================= Grid point 221 (74/150) ======================= q-point: ( 0.09 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 11.468 4.782 10.272) 16.122 1.549 ( 6.281 10.722 10.782) 16.452 1.909 ( 14.820 4.604 1.217) 15.566 2.323 ( 6.425 0.731 -1.119) 6.562 2.362 ( 10.006 3.407 -5.147) 11.757 2.435 ( 2.593 2.349 -6.609) 7.478 2.840 ( 0.188 -5.047 -6.971) 8.608 2.929 ( 2.457 7.000 3.948) 8.404 3.292 ( -0.956 7.450 4.917) 8.977 3.506 ( 6.455 -12.275 3.897) 14.406 3.820 ( -1.509 -7.929 10.280) 13.070 4.177 ( -2.677 -6.028 1.704) 6.812 6.178 ( 1.152 13.327 -4.649) 14.161 7.289 ( -1.432 -8.921 1.135) 9.107 8.364 ( 2.259 8.444 -0.239) 8.745 8.448 ( -4.463 1.525 -1.898) 5.084 8.821 ( -0.297 -1.988 -4.652) 5.068 9.315 ( -0.599 -8.179 1.008) 8.263 10.207 ( 2.223 11.693 -5.847) 13.261 10.549 ( 2.088 0.090 1.438) 2.537 12.741 ( 1.396 -0.207 -0.773) 1.609 12.861 ( -16.807 -2.030 -1.056) 16.962 12.943 ( 3.161 6.379 -0.842) 7.169 13.468 ( 10.570 -4.856 0.440) 11.640 ======================= Grid point 222 (75/150) ======================= q-point: ( 0.18 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 19.031 -0.497 8.996) 21.056 1.656 ( 6.174 2.683 9.848) 11.929 2.178 ( 9.906 -0.556 -4.269) 10.801 2.414 ( 3.587 -3.983 -3.838) 6.593 2.500 ( 5.249 3.610 -2.944) 7.018 2.724 ( 14.782 6.377 -2.263) 16.257 2.849 ( 0.969 -4.066 -5.962) 7.281 3.090 ( 14.188 8.234 7.270) 17.943 3.281 ( 1.714 7.075 4.551) 8.585 3.570 ( 0.281 -3.458 7.583) 8.339 3.859 ( 4.370 -9.187 3.580) 10.785 4.166 ( 3.204 -3.246 0.046) 4.561 6.221 ( 3.253 13.625 -4.178) 14.618 7.241 ( -3.396 -6.256 0.722) 7.155 8.343 ( -5.289 -0.216 -3.531) 6.363 8.411 ( 1.849 2.958 -1.090) 3.655 8.810 ( -1.240 0.436 -3.544) 3.779 9.223 ( -8.228 -3.619 1.281) 9.080 10.280 ( 4.794 4.478 -2.775) 7.123 10.634 ( 6.527 -2.891 0.666) 7.170 12.487 ( -17.365 2.016 -0.761) 17.498 12.847 ( 7.314 -5.673 -1.332) 9.352 12.992 ( 0.816 9.560 -1.097) 9.657 13.636 ( 5.831 -4.620 1.438) 7.577 ======================= Grid point 223 (76/150) ======================= q-point: ( 0.27 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 17.169 0.069 7.146) 18.597 1.826 ( 10.039 -1.901 8.302) 13.165 2.340 ( 5.973 -4.266 -0.900) 7.395 2.476 ( 2.705 -3.333 -5.517) 6.991 2.634 ( 7.410 2.290 -4.111) 8.778 2.860 ( 2.123 -1.467 -5.984) 6.517 2.937 ( 7.253 4.285 2.176) 8.701 3.181 ( -1.748 5.269 6.737) 8.730 3.361 ( -2.447 -1.189 9.847) 10.216 3.808 ( 16.862 1.389 0.404) 16.924 3.904 ( 6.545 -2.304 0.818) 6.987 4.329 ( 10.955 -0.561 -0.554) 10.984 6.316 ( 6.025 13.042 -3.352) 14.752 7.147 ( -5.741 -2.531 0.245) 6.279 8.244 ( -3.958 -2.048 -4.535) 6.358 8.432 ( 0.129 -1.747 -1.989) 2.650 8.754 ( -4.252 1.436 -2.364) 5.073 9.012 ( -11.321 -0.661 0.552) 11.353 10.400 ( 6.850 0.501 0.348) 6.877 10.812 ( 9.935 -7.264 -0.383) 12.314 12.170 ( -12.421 8.598 0.298) 15.109 12.949 ( -4.068 10.650 -0.916) 11.437 13.038 ( 9.457 -8.870 -2.132) 13.139 13.708 ( 1.210 -5.223 1.824) 5.663 ======================= Grid point 224 (77/150) ======================= q-point: ( 0.36 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 11.665 2.827 6.515) 13.657 2.037 ( 9.509 -6.434 6.314) 13.103 2.421 ( 2.260 -4.651 0.689) 5.217 2.524 ( 1.497 -2.922 -3.609) 4.879 2.788 ( 6.971 0.660 -5.312) 8.789 2.915 ( 3.478 -0.031 -5.221) 6.273 3.081 ( 3.340 1.531 7.251) 8.129 3.154 ( 2.863 3.692 4.222) 6.297 3.276 ( -4.249 -0.215 5.539) 6.985 3.768 ( -6.879 -6.333 1.196) 9.426 4.344 ( 19.981 4.768 -0.946) 20.564 4.546 ( 9.157 0.724 -0.727) 9.214 6.465 ( 8.267 11.305 -2.394) 14.208 7.007 ( -7.755 1.489 -0.270) 7.901 8.197 ( -0.256 -3.348 -4.734) 5.804 8.413 ( -2.152 -4.743 -2.951) 5.986 8.651 ( -4.969 2.074 -1.485) 5.586 8.792 ( -9.503 0.723 -0.111) 9.531 10.560 ( 8.618 -1.760 1.549) 8.931 10.970 ( 3.334 -11.438 -0.846) 11.944 12.038 ( 1.002 15.776 1.144) 15.849 12.794 ( -10.699 13.107 -0.838) 16.940 13.244 ( 9.958 -11.830 -1.784) 15.566 13.689 ( -2.990 -7.039 1.488) 7.791 ======================= Grid point 225 (78/150) ======================= q-point: ( 0.45 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 5.784 -0.518 6.442) 8.673 2.168 ( 2.192 -4.651 5.789) 7.743 2.465 ( 2.709 -3.356 -1.359) 4.522 2.521 ( -1.890 -2.614 -2.577) 4.129 2.906 ( 4.637 2.077 -1.094) 5.198 2.970 ( -0.310 3.527 -3.718) 5.135 3.077 ( 1.616 -2.502 6.775) 7.401 3.157 ( -4.585 -2.666 4.905) 7.224 3.366 ( 11.107 0.825 0.886) 11.172 3.591 ( -10.116 -3.408 0.826) 10.707 4.630 ( 7.691 2.203 -1.009) 8.064 4.675 ( 2.702 1.206 -0.955) 3.110 6.647 ( 9.182 8.628 -1.549) 12.695 6.834 ( -8.931 5.285 -0.862) 10.413 8.238 ( 3.984 -4.538 -4.485) 7.522 8.338 ( -4.976 -5.751 -3.987) 8.587 8.589 ( -0.421 2.599 -0.733) 2.733 8.639 ( -5.130 1.720 -0.473) 5.431 10.747 ( 9.353 -4.486 1.303) 10.455 10.923 ( -6.790 -8.811 0.213) 11.126 12.209 ( 13.837 16.233 0.485) 21.336 12.522 ( -15.162 14.381 -0.388) 20.901 13.436 ( 8.630 -11.479 -0.742) 14.380 13.592 ( -6.329 -9.499 0.521) 11.427 ======================= Grid point 231 (79/150) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 16.220 -1.768) 16.316 1.652 ( 0.000 -11.021 -3.059) 11.438 1.804 ( 0.000 17.545 4.122) 18.023 2.203 ( 0.000 -6.007 -0.568) 6.034 2.412 ( 0.000 13.449 -4.606) 14.216 2.480 ( 0.000 4.544 -7.369) 8.658 2.713 ( 0.000 -7.319 -7.469) 10.457 3.099 ( 0.000 -18.779 0.759) 18.794 3.105 ( 0.000 13.096 12.547) 18.137 3.433 ( 0.000 3.311 9.223) 9.799 3.724 ( 0.000 -1.874 7.436) 7.669 4.038 ( 0.000 -10.915 2.634) 11.228 6.448 ( 0.000 16.246 -5.173) 17.049 7.068 ( 0.000 -14.618 -2.276) 14.794 8.565 ( 0.000 4.357 -1.497) 4.607 8.570 ( 0.000 13.438 0.080) 13.438 8.750 ( 0.000 -4.590 -3.884) 6.013 9.087 ( 0.000 -12.627 0.171) 12.628 10.409 ( 0.000 8.145 -1.247) 8.240 10.544 ( 0.000 -0.179 2.689) 2.695 12.827 ( 0.000 6.029 -2.064) 6.372 12.972 ( 0.000 4.584 -0.045) 4.584 13.085 ( 0.000 -6.822 -1.679) 7.026 13.137 ( 0.000 -3.743 -0.051) 3.743 ======================= Grid point 232 (80/150) ======================= q-point: ( 0.09 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 4.976 13.320 0.827) 14.243 1.594 ( -1.457 -6.775 0.683) 6.964 1.998 ( 11.445 7.144 -1.626) 13.589 2.251 ( 3.851 -5.158 -1.088) 6.528 2.501 ( 2.710 4.819 -6.917) 8.855 2.570 ( 14.737 14.240 -2.430) 20.636 2.722 ( 0.857 -6.812 -7.208) 9.955 3.119 ( 3.171 9.827 11.661) 15.576 3.234 ( 9.822 -13.971 3.602) 17.454 3.421 ( -0.413 3.414 7.601) 8.343 3.718 ( -0.313 -1.045 6.436) 6.527 4.022 ( -0.817 -9.967 1.999) 10.198 6.463 ( 1.470 16.360 -5.181) 17.224 7.071 ( 0.229 -13.842 -2.518) 14.071 8.493 ( -5.843 3.098 -1.865) 6.871 8.517 ( -4.032 6.069 -1.098) 7.368 8.805 ( 3.914 1.752 -2.441) 4.934 9.132 ( 2.509 -10.789 0.745) 11.102 10.386 ( -1.673 7.283 -1.373) 7.598 10.539 ( -0.077 -1.402 2.224) 2.630 12.749 ( -4.083 1.066 -0.901) 4.315 12.819 ( -13.753 -2.290 -0.990) 13.977 13.081 ( 6.697 7.889 -1.068) 10.403 13.363 ( 10.367 -6.312 -0.309) 12.141 ======================= Grid point 233 (81/150) ======================= q-point: ( 0.18 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 14.551 6.672 3.932) 16.484 1.636 ( 5.610 -5.230 3.148) 8.291 2.174 ( 6.153 1.748 -3.023) 7.075 2.332 ( 3.686 -4.662 -2.616) 6.493 2.576 ( 4.643 3.801 -6.256) 8.669 2.750 ( 1.958 -5.415 -6.307) 8.541 2.899 ( 11.937 11.326 3.218) 16.767 3.262 ( 9.660 8.966 9.011) 15.966 3.322 ( -1.361 -4.907 10.720) 11.868 3.535 ( 10.927 -2.115 1.240) 11.198 3.743 ( 4.171 0.893 2.632) 5.012 4.062 ( 6.386 -7.730 0.404) 10.034 6.509 ( 3.009 16.217 -5.103) 17.265 7.072 ( -0.296 -11.513 -3.091) 11.925 8.357 ( -6.838 1.731 -2.190) 7.385 8.437 ( -3.643 -0.522 -1.978) 4.178 8.858 ( 0.405 4.892 -1.018) 5.014 9.122 ( -4.095 -6.738 1.289) 7.990 10.373 ( 1.043 5.198 -1.061) 5.407 10.565 ( 3.121 -4.365 0.918) 5.444 12.541 ( -11.688 3.665 -0.339) 12.254 12.733 ( 1.671 -6.056 -0.596) 6.310 13.187 ( 3.009 10.522 -1.360) 11.028 13.528 ( 5.544 -6.866 0.100) 8.825 ======================= Grid point 234 (82/150) ======================= q-point: ( 0.27 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 16.332 1.951 5.477) 17.336 1.800 ( 9.329 -2.431 5.858) 11.281 2.277 ( 4.233 -0.755 -1.352) 4.507 2.402 ( 3.348 -4.442 -4.326) 7.047 2.684 ( 5.627 2.502 -5.411) 8.198 2.803 ( 3.208 -3.827 -4.791) 6.920 3.050 ( 4.944 7.281 7.029) 11.264 3.256 ( -3.479 0.018 8.580) 9.258 3.362 ( -0.662 3.682 5.756) 6.865 3.676 ( 0.385 -9.895 2.400) 10.189 4.022 ( 21.824 9.018 -0.687) 23.624 4.289 ( 13.714 -3.845 -0.784) 14.264 6.587 ( 4.529 14.894 -4.831) 16.300 7.053 ( -1.670 -7.694 -3.662) 8.683 8.229 ( -5.200 0.884 -2.307) 5.758 8.368 ( -3.167 -4.633 -2.344) 6.082 8.812 ( -4.463 4.402 -0.409) 6.282 8.978 ( -9.004 -2.970 0.730) 9.509 10.436 ( 4.795 3.399 0.008) 5.878 10.666 ( 6.079 -7.818 -0.405) 9.911 12.358 ( -5.342 11.078 0.608) 12.313 12.819 ( 6.302 -12.166 -0.721) 13.721 13.188 ( -3.078 12.360 -1.408) 12.815 13.585 ( -0.085 -7.893 0.268) 7.898 ======================= Grid point 235 (83/150) ======================= q-point: ( 0.36 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 10.569 -1.779 6.855) 12.722 1.982 ( 7.984 -0.609 7.070) 10.682 2.355 ( 3.712 -0.645 -0.901) 3.874 2.471 ( 2.957 -3.351 -4.493) 6.337 2.806 ( 6.241 1.156 -3.529) 7.262 2.883 ( 4.631 -2.702 -3.097) 6.191 3.119 ( 0.567 2.302 7.571) 7.933 3.183 ( -3.187 -0.420 7.281) 7.959 3.332 ( -0.445 5.899 1.997) 6.244 3.627 ( -4.322 -8.225 1.992) 9.502 4.438 ( 16.567 4.791 -0.947) 17.272 4.548 ( 10.486 -0.699 -0.987) 10.555 6.692 ( 5.583 12.003 -4.495) 13.981 7.002 ( -3.349 -2.684 -4.017) 5.879 8.157 ( -1.616 -0.315 -2.438) 2.942 8.302 ( -3.366 -6.365 -2.623) 7.663 8.705 ( -5.068 3.264 -0.515) 6.050 8.793 ( -8.189 -0.721 -0.158) 8.222 10.555 ( 6.449 1.564 0.765) 6.679 10.771 ( 3.142 -9.347 -0.675) 9.884 12.347 ( 4.581 16.851 0.942) 17.488 12.979 ( 8.848 -14.713 -0.705) 17.183 13.059 ( -9.262 13.306 -1.267) 16.262 13.527 ( -5.316 -10.000 0.161) 11.327 ======================= Grid point 236 (84/150) ======================= q-point: ( 0.45 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.481 -2.932 7.405) 8.692 2.098 ( 2.126 -2.986 7.308) 8.175 2.441 ( 4.297 0.968 -2.458) 5.044 2.498 ( -0.730 -0.666 -3.434) 3.573 2.934 ( 6.097 1.073 0.706) 6.231 2.994 ( 5.754 -1.632 -2.451) 6.464 3.055 ( -5.005 1.045 6.890) 8.580 3.111 ( -4.740 -1.946 4.112) 6.570 3.390 ( 5.394 1.833 1.644) 5.929 3.515 ( -6.219 -4.282 1.689) 7.737 4.671 ( 6.013 1.932 -0.967) 6.389 4.695 ( 3.351 0.716 -0.972) 3.562 6.809 ( 5.641 7.842 -4.289) 10.569 6.918 ( -4.783 2.784 -4.182) 6.937 8.164 ( 2.115 -2.649 -2.670) 4.315 8.228 ( -3.700 -5.365 -2.778) 7.084 8.636 ( -1.224 2.169 -0.730) 2.595 8.664 ( -4.019 0.816 -0.670) 4.155 10.685 ( 5.830 -1.718 0.743) 6.123 10.776 ( -2.529 -6.355 0.059) 6.840 12.533 ( 12.529 17.636 0.236) 21.635 12.813 ( -13.653 15.880 -0.676) 20.953 13.180 ( 10.045 -15.317 -0.506) 18.324 13.378 ( -8.868 -12.887 -0.142) 15.644 ======================= Grid point 242 (85/150) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 -15.395 -5.638) 16.395 1.396 ( 0.000 15.395 -5.638) 16.395 2.058 ( 0.000 -9.837 0.327) 9.842 2.058 ( 0.000 9.837 0.327) 9.842 2.581 ( 0.000 -6.262 -7.735) 9.952 2.581 ( 0.000 6.262 -7.735) 9.952 2.731 ( 0.000 -19.250 -0.785) 19.266 2.731 ( 0.000 19.250 -0.785) 19.266 3.345 ( 0.000 -10.687 15.046) 18.455 3.345 ( 0.000 10.687 15.046) 18.455 3.828 ( 0.000 -10.352 2.027) 10.549 3.828 ( 0.000 10.352 2.027) 10.549 6.766 ( 0.000 -16.850 -4.546) 17.453 6.766 ( 0.000 16.850 -4.546) 17.453 8.656 ( 0.000 -5.098 -2.579) 5.713 8.656 ( 0.000 5.098 -2.579) 5.713 8.833 ( 0.000 -13.961 0.133) 13.962 8.833 ( 0.000 13.961 0.133) 13.962 10.513 ( 0.000 -3.257 2.077) 3.863 10.513 ( 0.000 3.257 2.077) 3.863 12.953 ( 0.000 -7.012 -2.144) 7.332 12.953 ( 0.000 7.012 -2.144) 7.332 13.059 ( 0.000 -4.464 -0.036) 4.464 13.059 ( 0.000 4.464 -0.036) 4.464 ======================= Grid point 244 (86/150) ======================= q-point: ( 0.09 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.860 -13.700 -3.127) 14.079 1.383 ( 0.860 13.700 -3.127) 14.079 2.138 ( 5.723 -6.814 -1.234) 8.984 2.138 ( 5.723 6.814 -1.234) 8.984 2.598 ( 1.750 -5.835 -7.575) 9.721 2.598 ( 1.750 5.835 -7.575) 9.721 2.885 ( 13.402 -17.881 1.109) 22.374 2.885 ( 13.402 17.881 1.109) 22.374 3.353 ( 1.154 -9.202 13.488) 16.368 3.353 ( 1.154 9.202 13.488) 16.368 3.823 ( 0.079 -9.987 1.683) 10.128 3.823 ( 0.079 9.987 1.683) 10.128 6.779 ( 1.259 -16.546 -4.713) 17.250 6.779 ( 1.259 16.546 -4.713) 17.250 8.548 ( -7.305 -1.946 -2.180) 7.868 8.548 ( -7.305 1.946 -2.180) 7.868 8.927 ( 5.398 -10.041 0.068) 11.400 8.927 ( 5.398 10.041 0.068) 11.400 10.490 ( -1.762 -3.871 1.565) 4.532 10.490 ( -1.762 3.871 1.565) 4.532 12.778 ( -9.393 -1.932 -0.957) 9.638 12.778 ( -9.393 1.932 -0.957) 9.638 13.230 ( 9.128 -7.609 -0.902) 11.918 13.230 ( 9.128 7.609 -0.902) 11.918 ======================= Grid point 246 (87/150) ======================= q-point: ( 0.18 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 9.266 -9.267 0.997) 13.143 1.487 ( 9.266 9.267 0.997) 13.143 2.241 ( 4.165 -4.680 -2.203) 6.641 2.241 ( 4.165 4.680 -2.203) 6.641 2.652 ( 3.429 -4.578 -6.700) 8.810 2.652 ( 3.429 4.578 -6.700) 8.810 3.134 ( 6.915 -12.437 7.946) 16.298 3.134 ( 6.915 12.437 7.946) 16.298 3.427 ( 5.912 -7.640 6.115) 11.433 3.427 ( 5.912 7.640 6.115) 11.433 3.885 ( 8.249 -10.230 0.544) 13.152 3.885 ( 8.249 10.230 0.544) 13.152 6.814 ( 1.966 -15.390 -5.074) 16.324 6.814 ( 1.966 15.390 -5.074) 16.324 8.402 ( -6.696 -2.654 -1.975) 7.469 8.402 ( -6.696 2.654 -1.975) 7.469 8.982 ( -0.662 -7.586 0.572) 7.636 8.982 ( -0.662 7.586 0.572) 7.636 10.473 ( 0.775 -5.204 0.414) 5.278 10.473 ( 0.775 5.204 0.414) 5.278 12.625 ( -5.043 -5.196 -0.246) 7.246 12.625 ( -5.043 5.196 -0.246) 7.246 13.376 ( 4.640 -9.174 -0.948) 10.324 13.376 ( 4.640 9.174 -0.948) 10.324 ======================= Grid point 248 (88/150) ======================= q-point: ( 0.27 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 12.575 -4.623 4.728) 14.207 1.725 ( 12.575 4.623 4.728) 14.207 2.317 ( 3.492 -4.112 -2.661) 6.016 2.317 ( 3.492 4.112 -2.661) 6.016 2.734 ( 4.460 -3.145 -4.980) 7.388 2.734 ( 4.460 3.145 -4.980) 7.388 3.185 ( -0.016 -6.145 9.852) 11.611 3.185 ( -0.016 6.145 9.852) 11.611 3.493 ( 0.121 -8.844 2.476) 9.185 3.493 ( 0.121 8.844 2.476) 9.185 4.182 ( 17.869 -7.333 -0.711) 19.328 4.182 ( 17.869 7.333 -0.711) 19.328 6.856 ( 2.021 -12.856 -5.379) 14.081 6.856 ( 2.021 12.856 -5.379) 14.081 8.279 ( -5.096 -4.140 -1.774) 6.801 8.279 ( -5.096 4.140 -1.774) 6.801 8.903 ( -6.314 -4.718 0.440) 7.894 8.903 ( -6.314 4.718 0.440) 7.894 10.529 ( 4.332 -6.336 -0.235) 7.679 10.529 ( 4.332 6.336 -0.235) 7.679 12.583 ( 1.058 -12.414 0.238) 12.461 12.583 ( 1.058 12.414 0.238) 12.461 13.409 ( -1.564 -10.628 -0.943) 10.784 13.409 ( -1.564 10.628 -0.943) 10.784 ======================= Grid point 250 (89/150) ======================= q-point: ( 0.36 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 8.388 -1.737 7.308) 11.260 1.951 ( 8.388 1.737 7.308) 11.260 2.397 ( 4.354 -3.983 -3.366) 6.793 2.397 ( 4.354 3.983 -3.366) 6.793 2.835 ( 5.373 -2.080 -2.342) 6.219 2.835 ( 5.373 2.080 -2.342) 6.219 3.160 ( -2.400 -1.833 7.405) 7.997 3.160 ( -2.400 1.833 7.405) 7.997 3.469 ( -1.768 -8.138 1.991) 8.562 3.469 ( -1.768 8.138 1.991) 8.562 4.514 ( 13.109 -2.988 -1.011) 13.483 4.514 ( 13.109 2.988 -1.011) 13.483 6.894 ( 1.599 -8.632 -5.548) 10.385 6.894 ( 1.599 8.632 -5.548) 10.385 8.196 ( -3.020 -4.291 -1.774) 5.539 8.196 ( -3.020 4.291 -1.774) 5.539 8.762 ( -6.474 -2.489 -0.267) 6.941 8.762 ( -6.474 2.489 -0.267) 6.941 10.625 ( 4.406 -5.851 -0.061) 7.325 10.625 ( 4.406 5.851 -0.061) 7.325 12.670 ( 7.266 -16.992 0.242) 18.482 12.670 ( 7.266 16.992 0.242) 18.482 13.312 ( -7.638 -12.605 -0.870) 14.764 13.312 ( -7.638 12.605 -0.870) 14.764 ======================= Grid point 252 (90/150) ======================= q-point: ( 0.45 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 2.314 -0.758 7.771) 8.144 2.057 ( 2.314 0.758 7.771) 8.144 2.475 ( 2.445 -1.879 -3.497) 4.662 2.475 ( 2.445 1.879 -3.497) 4.662 2.956 ( 6.317 -1.582 1.833) 6.765 2.956 ( 6.317 1.582 1.833) 6.765 3.082 ( -5.190 -1.384 3.553) 6.440 3.082 ( -5.190 1.384 3.553) 6.440 3.440 ( -0.814 -3.448 1.972) 4.054 3.440 ( -0.814 3.448 1.972) 4.054 4.696 ( 4.469 -0.633 -0.968) 4.616 4.696 ( 4.469 0.633 -0.968) 4.616 6.918 ( 0.638 -3.047 -5.648) 6.449 6.918 ( 0.638 3.047 -5.648) 6.449 8.155 ( -0.968 -1.889 -1.903) 2.851 8.155 ( -0.968 1.889 -1.903) 2.851 8.665 ( -2.579 -0.806 -0.770) 2.810 8.665 ( -2.579 0.806 -0.770) 2.810 10.691 ( 1.734 -2.451 0.282) 3.016 10.691 ( 1.734 2.451 0.282) 3.016 12.866 ( 11.299 -17.302 -0.149) 20.665 12.866 ( 11.299 17.302 -0.149) 20.665 13.111 ( -11.402 -15.090 -0.608) 18.923 13.111 ( -11.402 15.090 -0.608) 18.923 ======================= Grid point 297 (91/150) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 0.000 15.780) 15.780 1.332 ( 0.000 0.000 16.247) 16.247 1.886 ( 0.000 0.000 22.762) 22.762 1.888 ( 0.000 0.000 -11.408) 11.408 2.277 ( 0.000 0.000 -5.911) 5.911 2.367 ( 0.000 0.000 -0.145) 0.145 2.706 ( 0.000 0.000 -12.073) 12.073 2.811 ( 0.000 0.000 -5.658) 5.658 3.266 ( 0.000 0.000 3.695) 3.695 3.737 ( 0.000 0.000 0.989) 0.989 4.255 ( 0.000 0.000 -0.199) 0.199 4.356 ( 0.000 0.000 2.518) 2.518 5.832 ( 0.000 0.000 -2.378) 2.378 7.583 ( 0.000 0.000 3.906) 3.906 8.112 ( 0.000 0.000 -0.059) 0.059 8.505 ( 0.000 0.000 1.259) 1.259 8.800 ( 0.000 0.000 -5.757) 5.757 9.497 ( 0.000 0.000 0.164) 0.164 9.539 ( 0.000 0.000 0.164) 0.164 10.492 ( 0.000 0.000 -0.154) 0.154 12.687 ( 0.000 0.000 -0.249) 0.249 12.807 ( 0.000 0.000 -0.083) 0.083 13.247 ( 0.000 0.000 -0.082) 0.082 13.314 ( 0.000 0.000 -2.246) 2.246 ======================= Grid point 298 (92/150) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 12.961 0.000 14.696) 19.595 1.501 ( 24.366 0.000 14.142) 28.172 1.881 ( 1.394 0.000 17.203) 17.260 2.029 ( 15.257 0.000 -10.218) 18.362 2.307 ( 2.883 0.000 -6.367) 6.989 2.414 ( 4.433 0.000 -0.255) 4.441 2.683 ( -0.762 0.000 -10.201) 10.229 2.808 ( -0.317 0.000 -5.480) 5.489 3.255 ( -0.831 0.000 4.176) 4.258 3.834 ( 7.843 0.000 2.608) 8.265 4.213 ( -11.537 0.000 3.475) 12.048 4.235 ( -2.017 0.000 -0.153) 2.023 5.840 ( 1.056 0.000 -2.220) 2.459 7.546 ( -3.604 0.000 3.865) 5.285 8.178 ( 5.884 0.000 -0.096) 5.885 8.405 ( -7.435 0.000 -1.055) 7.509 8.767 ( -1.892 0.000 -4.222) 4.627 9.462 ( -7.246 0.000 0.128) 7.247 9.758 ( 19.625 0.000 -1.701) 19.698 10.535 ( 4.392 0.000 -0.110) 4.394 12.749 ( 5.824 0.000 -0.631) 5.858 12.806 ( -0.266 0.000 -0.059) 0.273 12.879 ( -20.825 0.000 -1.438) 20.874 13.584 ( 11.796 0.000 0.071) 11.796 ======================= Grid point 299 (93/150) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 4.490 0.000 15.517) 16.154 1.812 ( 18.599 0.000 12.010) 22.140 2.031 ( 10.951 0.000 2.456) 11.223 2.397 ( 6.043 0.000 -7.727) 9.810 2.440 ( 12.939 0.000 -7.095) 14.757 2.535 ( 5.403 0.000 -1.981) 5.755 2.799 ( -0.441 0.000 -4.807) 4.827 2.857 ( 26.505 0.000 -2.505) 26.623 3.240 ( -0.589 0.000 5.265) 5.297 3.866 ( -9.617 0.000 7.946) 12.475 4.115 ( 7.677 0.000 -0.815) 7.720 4.170 ( -4.385 0.000 -0.153) 4.387 5.890 ( 4.162 0.000 -1.674) 4.486 7.436 ( -7.059 0.000 3.721) 7.980 8.264 ( -5.849 0.000 -4.076) 7.129 8.317 ( 6.663 0.000 -0.169) 6.665 8.729 ( -2.091 0.000 -3.730) 4.276 9.260 ( -11.778 0.000 0.046) 11.778 10.144 ( 16.559 0.000 -0.968) 16.587 10.686 ( 10.577 0.000 -0.014) 10.577 12.428 ( -22.229 0.000 -1.091) 22.256 12.783 ( -2.384 0.000 -0.005) 2.384 12.931 ( 11.024 0.000 -1.701) 11.154 13.773 ( 6.766 0.000 1.501) 6.930 ======================= Grid point 300 (94/150) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 7.623 0.000 12.113) 14.312 2.175 ( 15.126 0.000 8.555) 17.377 2.239 ( 8.553 0.000 1.004) 8.611 2.561 ( 9.474 0.000 -9.013) 13.077 2.582 ( 4.231 0.000 -9.731) 10.611 2.628 ( 4.999 0.000 0.508) 5.025 2.803 ( 1.898 0.000 -2.886) 3.454 3.230 ( -0.238 0.000 6.641) 6.645 3.494 ( 16.627 0.000 4.017) 17.105 3.718 ( 8.497 0.000 0.991) 8.555 4.053 ( -7.039 0.000 -0.286) 7.045 4.322 ( 10.529 0.000 0.120) 10.530 6.018 ( 8.355 0.000 -0.750) 8.388 7.259 ( -10.073 0.000 3.423) 10.639 8.171 ( -3.077 0.000 -5.514) 6.314 8.424 ( 3.468 0.000 -0.202) 3.474 8.668 ( -4.143 0.000 -3.635) 5.511 9.003 ( -12.643 0.000 -0.032) 12.643 10.434 ( 12.238 0.000 0.949) 12.275 10.974 ( 17.261 0.000 0.066) 17.261 11.978 ( -21.317 0.000 -0.574) 21.324 12.694 ( -6.619 0.000 0.049) 6.619 13.181 ( 12.810 0.000 -2.056) 12.974 13.866 ( 2.428 0.000 2.012) 3.153 ======================= Grid point 301 (95/150) ======================= q-point: ( 0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 9.900 0.000 9.471) 13.701 2.362 ( 3.178 0.000 3.567) 4.778 2.408 ( 8.264 0.000 2.423) 8.612 2.668 ( 4.187 0.000 -9.185) 10.095 2.668 ( 0.014 0.000 -6.733) 6.733 2.720 ( 3.509 0.000 -0.474) 3.540 2.988 ( 15.825 0.000 -0.940) 15.853 3.231 ( 0.442 0.000 7.109) 7.122 3.434 ( -6.377 0.000 4.000) 7.527 3.879 ( -9.932 0.000 -0.389) 9.939 4.223 ( 23.396 0.000 -0.857) 23.411 4.519 ( 8.120 0.000 -0.289) 8.125 6.227 ( 11.692 0.000 0.323) 11.697 7.028 ( -12.252 0.000 2.931) 12.598 8.149 ( 1.306 0.000 -5.543) 5.694 8.467 ( 1.261 0.000 -0.178) 1.273 8.553 ( -7.050 0.000 -3.611) 7.921 8.763 ( -10.394 0.000 -0.080) 10.394 10.670 ( 11.314 0.000 1.692) 11.440 11.374 ( 21.035 0.000 0.098) 21.035 11.563 ( -18.878 0.000 0.116) 18.878 12.503 ( -12.006 0.000 0.085) 12.006 13.437 ( 11.686 0.000 -1.474) 11.779 13.874 ( -1.628 0.000 1.640) 2.311 ======================= Grid point 302 (96/150) ======================= q-point: ( 0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 7.940 0.000 7.698) 11.060 2.364 ( -2.946 0.000 5.920) 6.613 2.543 ( 5.207 0.000 -1.647) 5.461 2.629 ( -3.211 0.000 -4.173) 5.265 2.741 ( 2.549 0.000 -6.682) 7.152 2.763 ( 0.544 0.000 -2.907) 2.957 3.256 ( 2.198 0.000 5.812) 6.214 3.324 ( -4.342 0.000 3.996) 5.901 3.335 ( 16.489 0.000 -0.438) 16.495 3.642 ( -13.265 0.000 -0.376) 13.271 4.561 ( 9.421 0.000 -0.871) 9.461 4.630 ( 1.901 0.000 -0.766) 2.050 6.487 ( 13.309 0.000 1.346) 13.377 6.763 ( -13.376 0.000 2.231) 13.560 8.229 ( 6.306 0.000 -4.772) 7.908 8.388 ( -8.508 0.000 -3.968) 9.387 8.500 ( 2.537 0.000 -0.137) 2.541 8.589 ( -6.353 0.000 -0.107) 6.354 10.915 ( 12.858 0.000 1.464) 12.941 11.207 ( -15.717 0.000 0.841) 15.740 11.809 ( 20.681 0.000 0.105) 20.681 12.202 ( -17.178 0.000 0.101) 17.179 13.651 ( 8.991 0.000 -0.398) 9.000 13.801 ( -5.510 0.000 0.731) 5.558 ======================= Grid point 308 (97/150) ======================= q-point: ( 0.00 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 -9.373 17.672) 20.004 1.285 ( 0.000 14.248 14.134) 20.069 1.924 ( 0.000 3.821 -11.256) 11.887 1.941 ( 0.000 0.599 12.044) 12.059 2.271 ( 0.000 0.189 -4.907) 4.911 2.347 ( 0.000 -2.140 -0.201) 2.149 2.738 ( 0.000 3.704 -6.941) 7.867 2.795 ( 0.000 -0.296 -5.450) 5.458 3.300 ( 0.000 3.699 4.155) 5.563 3.659 ( 0.000 -8.072 0.942) 8.126 4.201 ( 0.000 -5.864 4.838) 7.602 4.322 ( 0.000 -3.008 -0.159) 3.013 5.899 ( 0.000 6.959 -2.602) 7.430 7.517 ( 0.000 -6.982 2.933) 7.573 8.172 ( 0.000 6.198 -0.039) 6.198 8.488 ( 0.000 -0.898 0.802) 1.204 8.775 ( 0.000 -2.170 -5.084) 5.528 9.447 ( 0.000 -5.260 0.157) 5.262 9.736 ( 0.000 17.944 -1.717) 18.026 10.514 ( 0.000 2.141 0.295) 2.161 12.690 ( 0.000 0.531 -0.243) 0.584 12.829 ( 0.000 2.278 -0.074) 2.279 13.234 ( 0.000 -1.348 -0.074) 1.350 13.275 ( 0.000 -3.889 -1.866) 4.313 ======================= Grid point 309 (98/150) ======================= q-point: ( 0.09 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 12.145 -10.237 16.628) 22.995 1.588 ( 19.218 8.223 12.962) 24.596 1.943 ( 2.292 1.288 6.516) 7.026 2.071 ( 16.104 4.409 -9.614) 19.267 2.293 ( 2.193 -0.202 -4.926) 5.396 2.392 ( 4.281 -2.224 -0.355) 4.837 2.738 ( 0.806 4.203 -6.167) 7.507 2.800 ( 0.855 1.550 -4.483) 4.820 3.289 ( -0.834 3.651 4.455) 5.820 3.763 ( 8.507 -7.305 2.432) 11.474 4.132 ( -7.593 -6.346 5.229) 11.192 4.248 ( -4.393 -0.652 -0.462) 4.465 5.909 ( 1.158 7.105 -2.452) 7.605 7.485 ( -3.140 -6.461 2.803) 7.711 8.228 ( 4.939 5.108 -0.115) 7.106 8.403 ( -6.657 0.171 -0.976) 6.731 8.754 ( -1.260 -1.136 -4.121) 4.457 9.444 ( -4.317 -3.121 0.531) 5.354 9.866 ( 13.035 11.228 -2.643) 17.406 10.549 ( 3.634 1.320 0.260) 3.875 12.740 ( 4.781 -0.731 -0.483) 4.860 12.839 ( 0.425 3.296 -0.130) 3.326 12.868 ( -19.754 -1.104 -1.370) 19.833 13.553 ( 11.838 -3.089 0.146) 12.235 ======================= Grid point 310 (99/150) ======================= q-point: ( 0.18 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 14.019 -9.185 14.882) 22.414 1.824 ( 8.564 0.490 9.300) 12.653 2.093 ( 10.963 1.909 -1.698) 11.256 2.351 ( 3.706 -1.700 -5.674) 6.987 2.459 ( 8.970 0.256 -3.312) 9.565 2.554 ( 11.610 2.866 -3.560) 12.477 2.782 ( 2.220 -1.640 -5.029) 5.736 2.963 ( 23.087 10.263 -0.435) 25.269 3.272 ( -0.721 3.439 5.208) 6.282 3.830 ( -7.589 -3.579 8.187) 11.723 4.045 ( 4.218 -6.355 -0.609) 7.652 4.186 ( -0.684 0.523 -0.179) 0.879 5.959 ( 4.082 7.172 -1.957) 8.481 7.389 ( -6.213 -5.009 2.536) 8.374 8.268 ( -6.005 0.469 -3.386) 6.910 8.342 ( 5.259 2.350 -0.372) 5.773 8.728 ( -1.639 0.078 -3.456) 3.826 9.268 ( -11.434 0.295 0.364) 11.444 10.165 ( 14.052 2.431 -1.238) 14.314 10.677 ( 9.181 -0.943 0.151) 9.230 12.439 ( -20.757 1.160 -0.928) 20.811 12.834 ( -1.468 5.250 -0.194) 5.455 12.901 ( 9.928 -2.986 -1.497) 10.475 13.743 ( 6.745 -3.065 1.350) 7.530 ======================= Grid point 311 (100/150) ======================= q-point: ( 0.27 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 9.633 -1.833 10.688) 14.505 2.065 ( 12.621 -6.063 7.263) 15.773 2.336 ( 10.854 3.999 1.115) 11.621 2.441 ( 6.210 -6.301 -7.635) 11.686 2.577 ( 3.810 -3.404 -2.360) 5.628 2.679 ( 3.261 4.185 -8.243) 9.803 2.859 ( 6.283 4.805 -0.816) 7.952 3.255 ( -0.709 2.525 6.589) 7.092 3.521 ( 8.524 2.082 5.109) 10.153 3.729 ( 15.182 1.943 0.341) 15.310 4.018 ( -5.809 -3.796 0.118) 6.940 4.322 ( 10.451 0.006 -0.216) 10.453 6.083 ( 7.968 6.671 -1.138) 10.454 7.232 ( -9.043 -2.956 2.245) 9.776 8.167 ( -3.493 -0.236 -4.656) 5.826 8.422 ( 2.303 -0.516 -0.770) 2.482 8.674 ( -3.846 0.912 -2.923) 4.916 9.013 ( -12.678 0.820 0.104) 12.705 10.422 ( 11.214 -1.034 0.784) 11.288 10.925 ( 14.358 -4.845 -0.078) 15.153 12.033 ( -18.023 5.593 -0.277) 18.873 12.760 ( -6.022 6.785 -0.191) 9.074 13.133 ( 12.101 -4.994 -1.883) 13.226 13.834 ( 2.125 -3.420 1.799) 4.410 ======================= Grid point 312 (101/150) ======================= q-point: ( 0.36 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 10.338 0.502 8.237) 13.228 2.276 ( 7.638 -5.917 5.115) 10.931 2.448 ( 2.233 1.203 1.016) 2.733 2.600 ( 0.371 -7.097 -1.720) 7.311 2.650 ( 8.785 -0.334 -7.204) 11.366 2.746 ( 3.369 2.623 -7.061) 8.251 3.056 ( 12.754 5.689 -0.022) 13.965 3.241 ( -0.516 1.011 7.162) 7.252 3.421 ( -6.638 -1.321 4.190) 7.960 3.859 ( -9.281 -2.252 -0.016) 9.550 4.251 ( 22.526 2.871 -0.833) 22.724 4.523 ( 8.327 0.408 -0.400) 8.346 6.281 ( 11.006 5.507 -0.207) 12.309 7.022 ( -11.181 -0.679 1.875) 11.357 8.137 ( 0.879 -1.122 -4.808) 5.015 8.435 ( -1.138 -3.140 -1.646) 3.724 8.575 ( -5.045 2.148 -2.002) 5.837 8.772 ( -10.339 0.907 -0.078) 10.379 10.642 ( 10.606 -2.659 1.558) 11.045 11.187 ( 6.776 -12.674 -0.351) 14.376 11.768 ( -3.978 14.604 0.571) 15.147 12.580 ( -11.544 7.794 -0.142) 13.930 13.378 ( 11.429 -6.065 -1.418) 13.016 13.833 ( -2.141 -4.326 1.473) 5.047 ======================= Grid point 313 (102/150) ======================= q-point: ( 0.45 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 7.700 0.663 7.171) 10.543 2.353 ( -0.988 -1.441 6.439) 6.671 2.494 ( 3.214 -3.801 -1.800) 5.293 2.564 ( -2.946 -5.576 -2.754) 6.882 2.782 ( 3.412 3.211 -6.012) 7.622 2.800 ( 1.341 2.927 -4.654) 5.659 3.244 ( 1.467 -1.083 5.899) 6.175 3.299 ( -2.367 -1.594 3.245) 4.321 3.359 ( 12.672 1.483 0.903) 12.790 3.636 ( -12.420 -0.781 -0.071) 12.445 4.575 ( 8.950 1.414 -0.829) 9.098 4.637 ( 2.081 0.778 -0.744) 2.343 6.524 ( 12.376 3.755 0.648) 12.949 6.779 ( -12.322 1.610 1.348) 12.500 8.208 ( 5.722 -2.135 -4.278) 7.457 8.348 ( -6.929 -3.661 -3.522) 8.592 8.528 ( 1.029 2.366 -0.382) 2.608 8.602 ( -6.039 1.260 -0.183) 6.172 10.868 ( 11.484 -4.507 1.313) 12.407 11.105 ( -10.713 -8.917 0.512) 13.948 11.943 ( 16.301 12.253 0.303) 20.394 12.292 ( -16.224 8.969 -0.009) 18.538 13.592 ( 9.164 -6.149 -0.436) 11.044 13.749 ( -5.978 -5.423 0.631) 8.096 ======================= Grid point 319 (103/150) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 -2.668 13.633) 13.892 1.609 ( 0.000 17.884 10.803) 20.894 1.813 ( 0.000 -12.264 -3.060) 12.640 2.044 ( 0.000 9.491 -10.110) 13.867 2.288 ( 0.000 -4.016 -0.279) 4.026 2.303 ( 0.000 2.435 -3.041) 3.896 2.694 ( 0.000 -5.725 -6.420) 8.602 2.980 ( 0.000 16.359 3.122) 16.654 3.408 ( 0.000 7.505 4.557) 8.780 3.440 ( 0.000 -14.798 0.795) 14.819 4.056 ( 0.000 -8.616 8.397) 12.031 4.236 ( 0.000 -6.563 -0.571) 6.588 6.085 ( 0.000 12.403 -3.100) 12.785 7.321 ( 0.000 -13.485 0.498) 13.494 8.337 ( 0.000 10.910 0.008) 10.910 8.494 ( 0.000 1.616 0.241) 1.634 8.728 ( 0.000 -2.733 -4.419) 5.196 9.304 ( 0.000 -9.658 0.142) 9.659 10.103 ( 0.000 18.663 -2.210) 18.793 10.562 ( 0.000 2.552 1.277) 2.853 12.717 ( 0.000 2.640 -0.532) 2.693 12.889 ( 0.000 3.905 -0.051) 3.906 13.178 ( 0.000 -6.148 -1.458) 6.318 13.197 ( 0.000 -2.624 -0.055) 2.625 ======================= Grid point 320 (104/150) ======================= q-point: ( 0.09 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 10.803 -4.151 13.767) 17.985 1.724 ( 3.397 0.240 5.712) 6.650 1.882 ( 8.868 -1.431 -3.133) 9.513 2.223 ( 18.870 12.295 -6.495) 23.439 2.306 ( 2.001 -1.254 -1.396) 2.743 2.347 ( 4.013 -0.562 -2.323) 4.671 2.698 ( 0.375 -5.231 -6.298) 8.196 3.011 ( 3.655 16.437 3.390) 17.176 3.391 ( -1.005 6.791 4.440) 8.176 3.566 ( 10.270 -13.105 2.029) 16.773 3.997 ( -5.637 -7.498 7.035) 11.726 4.194 ( -2.916 -5.235 -0.023) 5.993 6.098 ( 1.396 12.584 -3.006) 13.013 7.303 ( -1.804 -12.594 0.288) 12.725 8.358 ( 1.662 7.983 -0.312) 8.160 8.421 ( -6.086 1.793 -0.723) 6.386 8.733 ( 0.743 -0.672 -3.603) 3.740 9.332 ( 0.299 -8.292 0.652) 8.323 10.127 ( 2.997 14.507 -2.351) 14.998 10.576 ( 1.615 1.184 1.082) 2.276 12.729 ( 1.642 -0.254 -0.365) 1.701 12.837 ( -17.406 -1.918 -1.138) 17.548 12.930 ( 2.955 6.123 -0.393) 6.810 13.472 ( 11.644 -5.307 0.066) 12.796 ======================= Grid point 321 (105/150) ======================= q-point: ( 0.18 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 16.536 -5.258 12.388) 21.320 1.796 ( 5.964 -4.453 3.217) 8.108 2.073 ( 9.312 -1.099 -6.182) 11.231 2.353 ( 2.782 -0.641 -0.913) 2.997 2.439 ( 5.102 -0.764 -3.271) 6.109 2.670 ( 9.579 6.475 -3.692) 12.137 2.743 ( 10.734 0.162 -3.243) 11.214 3.207 ( 18.048 14.242 3.555) 23.264 3.368 ( -0.827 6.552 4.289) 7.874 3.733 ( -0.162 -7.031 7.676) 10.411 3.898 ( 0.740 -8.147 0.187) 8.183 4.167 ( 1.806 -2.855 0.040) 3.378 6.150 ( 3.822 12.571 -2.681) 13.410 7.245 ( -3.855 -10.122 -0.142) 10.832 8.285 ( -6.578 1.407 -2.034) 7.028 8.388 ( 0.947 1.894 -1.081) 2.378 8.748 ( 0.068 2.647 -2.322) 3.522 9.245 ( -8.616 -3.194 0.882) 9.231 10.240 ( 7.494 5.366 -1.280) 9.306 10.647 ( 5.652 -2.429 0.520) 6.174 12.473 ( -16.683 2.516 -0.561) 16.881 12.823 ( 6.718 -4.932 -0.978) 8.391 12.974 ( 0.629 9.071 -0.635) 9.115 13.660 ( 6.512 -5.699 0.825) 8.693 ======================= Grid point 322 (106/150) ======================= q-point: ( 0.27 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 14.350 -2.541 8.309) 16.775 1.978 ( 10.569 -3.453 6.551) 12.905 2.278 ( 10.621 -5.732 -6.518) 13.717 2.408 ( 2.275 -1.577 0.386) 2.795 2.540 ( 4.848 0.422 -4.439) 6.587 2.724 ( 2.090 0.169 -6.862) 7.175 2.978 ( 9.268 8.218 1.570) 12.486 3.320 ( -2.038 4.119 6.158) 7.683 3.535 ( -4.189 -0.790 6.737) 7.972 3.817 ( 22.020 5.999 0.396) 22.826 3.913 ( -0.523 -6.054 0.032) 6.076 4.316 ( 10.924 -0.994 -0.659) 10.989 6.259 ( 6.806 11.523 -2.137) 13.552 7.143 ( -6.107 -6.509 -0.486) 8.939 8.168 ( -4.501 0.437 -2.784) 5.311 8.392 ( -0.660 -2.772 -1.808) 3.375 8.716 ( -3.354 3.639 -1.349) 5.130 9.022 ( -12.004 -0.311 0.390) 12.015 10.409 ( 8.612 0.056 0.416) 8.622 10.806 ( 9.050 -7.403 -0.256) 11.695 12.176 ( -11.325 9.166 0.238) 14.572 12.933 ( -4.186 10.349 -0.636) 11.182 13.001 ( 9.445 -8.118 -1.386) 12.531 13.739 ( 1.249 -6.511 1.134) 6.726 ======================= Grid point 323 (107/150) ======================= q-point: ( 0.36 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 11.754 0.848 5.761) 13.118 2.174 ( 7.923 -4.281 6.776) 11.270 2.437 ( 0.545 -3.964 1.598) 4.309 2.452 ( 4.124 -5.683 -3.423) 7.812 2.672 ( 8.806 2.063 -5.443) 10.556 2.784 ( 3.566 0.988 -7.337) 8.217 3.170 ( 9.876 6.008 1.726) 11.689 3.270 ( -2.754 2.081 6.587) 7.436 3.391 ( -7.143 -1.534 4.629) 8.649 3.789 ( -7.415 -5.225 0.810) 9.107 4.326 ( 20.024 4.821 -0.786) 20.611 4.531 ( 9.005 0.382 -0.641) 9.036 6.424 ( 9.000 9.227 -1.554) 12.982 6.996 ( -8.089 -2.299 -0.673) 8.436 8.115 ( -0.289 -0.918 -3.079) 3.226 8.356 ( -3.010 -5.067 -2.409) 6.367 8.628 ( -4.276 3.380 -0.753) 5.503 8.790 ( -9.954 0.704 -0.081) 9.979 10.589 ( 8.900 -2.423 1.168) 9.298 10.955 ( 3.631 -11.540 -0.614) 12.113 12.059 ( 1.081 15.867 0.840) 15.925 12.778 ( -10.482 12.556 -0.596) 16.367 13.213 ( 10.596 -11.138 -1.135) 15.415 13.714 ( -3.556 -8.116 0.929) 8.910 ======================= Grid point 324 (108/150) ======================= q-point: ( 0.45 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 6.143 0.460 6.805) 9.179 2.298 ( 3.591 -4.062 6.240) 8.266 2.432 ( -0.112 -3.646 -0.690) 3.713 2.464 ( -1.885 -2.994 -2.599) 4.390 2.838 ( 5.186 2.571 -4.805) 7.523 2.855 ( 2.573 2.565 -6.173) 7.163 3.223 ( -0.789 -0.978 6.265) 6.390 3.266 ( -4.609 -1.874 4.330) 6.596 3.387 ( 10.912 1.554 1.139) 11.081 3.606 ( -10.095 -2.384 0.662) 10.393 4.611 ( 7.678 2.273 -0.763) 8.043 4.657 ( 2.586 1.197 -0.726) 2.941 6.619 ( 9.730 5.927 -1.107) 11.447 6.816 ( -9.332 1.972 -0.837) 9.574 8.158 ( 4.212 -2.753 -3.074) 5.897 8.265 ( -5.479 -4.765 -2.877) 7.811 8.577 ( -0.154 2.626 -0.439) 2.667 8.630 ( -5.321 1.517 -0.332) 5.543 10.771 ( 8.675 -5.026 0.958) 10.071 10.926 ( -5.593 -9.159 0.132) 10.733 12.219 ( 12.937 16.135 0.377) 20.684 12.516 ( -14.565 14.017 -0.269) 20.216 13.424 ( 9.657 -11.388 -0.460) 14.939 13.600 ( -7.301 -10.062 0.327) 12.436 ======================= Grid point 330 (109/150) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 6.694 4.413) 8.017 1.554 ( 0.000 -14.021 -6.144) 15.308 1.892 ( 0.000 11.376 4.285) 12.157 2.187 ( 0.000 -5.122 -1.130) 5.245 2.322 ( 0.000 18.258 -3.825) 18.654 2.354 ( 0.000 3.279 -4.683) 5.717 2.566 ( 0.000 -7.280 -6.371) 9.674 3.111 ( 0.000 -19.516 0.457) 19.522 3.320 ( 0.000 17.990 7.766) 19.595 3.568 ( 0.000 8.682 4.674) 9.860 3.893 ( 0.000 -8.163 8.189) 11.563 4.068 ( 0.000 -10.914 0.134) 10.915 6.358 ( 0.000 16.116 -3.490) 16.489 7.024 ( 0.000 -17.367 -1.876) 17.468 8.542 ( 0.000 3.221 -0.608) 3.278 8.572 ( 0.000 13.496 0.057) 13.496 8.672 ( 0.000 -3.207 -3.457) 4.716 9.090 ( 0.000 -12.658 0.121) 12.659 10.397 ( 0.000 11.949 -0.079) 11.949 10.593 ( 0.000 0.252 2.022) 2.038 12.794 ( 0.000 5.393 -1.134) 5.510 12.971 ( 0.000 4.603 -0.031) 4.603 13.050 ( 0.000 -7.141 -1.475) 7.292 13.136 ( 0.000 -3.720 -0.036) 3.721 ======================= Grid point 331 (110/150) ======================= q-point: ( 0.09 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 7.856 4.597 6.015) 10.910 1.555 ( 1.580 -12.107 -4.167) 12.901 1.981 ( 6.177 7.151 -0.300) 9.455 2.226 ( 3.038 -5.519 -0.962) 6.373 2.381 ( 2.681 3.014 -4.614) 6.129 2.523 ( 17.642 16.611 -2.259) 24.337 2.584 ( 2.639 -4.634 -5.589) 7.725 3.257 ( 12.344 -16.149 1.895) 20.415 3.345 ( 3.139 15.360 6.899) 17.128 3.546 ( -2.026 7.856 4.606) 9.329 3.861 ( -3.111 -6.405 6.824) 9.862 4.048 ( -1.187 -10.004 0.435) 10.084 6.373 ( 1.475 16.081 -3.494) 16.522 7.022 ( -0.198 -16.559 -2.074) 16.689 8.463 ( -6.255 2.669 -0.967) 6.869 8.491 ( -5.149 4.201 -1.366) 6.784 8.762 ( 5.499 5.013 -1.660) 7.624 9.144 ( 3.249 -11.157 0.463) 11.630 10.370 ( -1.953 10.623 -0.312) 10.806 10.580 ( -0.901 -1.116 1.689) 2.216 12.735 ( -3.237 0.866 -0.497) 3.387 12.798 ( -13.636 -2.127 -0.958) 13.834 13.064 ( 6.159 7.763 -0.587) 9.927 13.356 ( 10.764 -6.904 -0.278) 12.791 ======================= Grid point 332 (111/150) ======================= q-point: ( 0.18 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 15.621 1.124 7.335) 17.294 1.663 ( 9.229 -8.291 -0.847) 12.435 2.103 ( 5.646 3.771 -3.518) 7.646 2.291 ( 2.969 -4.856 -1.038) 5.785 2.459 ( 4.833 2.363 -4.883) 7.265 2.621 ( 2.762 -5.435 -5.802) 8.416 2.950 ( 17.165 15.133 1.756) 22.950 3.438 ( 4.994 8.739 7.538) 12.575 3.499 ( 1.532 -0.448 5.956) 6.166 3.562 ( 12.014 -4.304 1.395) 12.838 3.791 ( -1.614 -1.588 2.035) 3.044 4.069 ( 4.836 -7.485 0.318) 8.917 6.420 ( 3.156 15.527 -3.439) 16.213 7.013 ( -0.859 -14.168 -2.520) 14.416 8.320 ( -7.039 2.233 -1.315) 7.501 8.397 ( -4.007 -0.877 -1.743) 4.457 8.840 ( 1.317 6.882 -0.692) 7.041 9.145 ( -4.074 -7.128 0.874) 8.257 10.358 ( 1.539 6.748 -0.451) 6.936 10.582 ( 1.763 -4.374 0.750) 4.775 12.535 ( -10.896 3.938 -0.250) 11.589 12.722 ( 1.696 -5.506 -0.485) 5.782 13.164 ( 2.851 10.523 -0.868) 10.936 13.530 ( 5.837 -8.003 0.034) 9.905 ======================= Grid point 333 (112/150) ======================= q-point: ( 0.27 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 16.235 0.326 6.319) 17.425 1.908 ( 13.069 -4.404 4.418) 14.482 2.218 ( 5.749 -0.082 -4.276) 7.165 2.344 ( 2.209 -4.322 -0.883) 4.933 2.572 ( 6.026 2.247 -4.997) 8.145 2.689 ( 3.820 -3.311 -5.871) 7.747 3.169 ( 6.394 11.365 4.142) 13.682 3.397 ( -3.869 3.376 5.495) 7.521 3.506 ( -4.849 -1.685 7.038) 8.711 3.717 ( 0.317 -10.225 1.393) 10.324 4.006 ( 21.518 9.268 -0.791) 23.442 4.273 ( 13.261 -3.815 -0.739) 13.818 6.502 ( 4.806 13.659 -3.265) 14.844 6.983 ( -2.061 -10.311 -2.917) 10.912 8.190 ( -5.293 2.079 -1.432) 5.864 8.323 ( -3.365 -4.157 -1.886) 5.671 8.805 ( -4.310 5.519 -0.265) 7.007 8.991 ( -9.792 -3.023 0.516) 10.261 10.437 ( 5.677 3.092 0.090) 6.465 10.659 ( 5.233 -7.708 -0.248) 9.320 12.370 ( -4.608 11.046 0.451) 11.977 12.805 ( 6.214 -11.100 -0.529) 12.732 13.164 ( -3.078 12.407 -0.961) 12.819 13.589 ( -0.054 -9.245 0.176) 9.247 ======================= Grid point 334 (113/150) ======================= q-point: ( 0.36 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 11.816 -0.158 5.637) 13.093 2.132 ( 8.147 -0.870 7.203) 10.909 2.326 ( 3.527 -3.482 -1.949) 5.326 2.396 ( 3.477 -3.272 -1.960) 5.161 2.713 ( 7.977 2.101 -4.792) 9.540 2.781 ( 5.161 -1.153 -6.170) 8.127 3.269 ( 2.207 3.710 5.955) 7.355 3.318 ( -3.073 2.026 4.897) 6.126 3.386 ( -5.111 2.615 3.300) 6.622 3.664 ( -4.627 -7.781 1.460) 9.169 4.420 ( 16.544 4.749 -0.783) 17.230 4.529 ( 10.513 -0.812 -0.802) 10.574 6.613 ( 5.783 10.228 -3.085) 12.148 6.926 ( -3.497 -5.284 -3.095) 7.051 8.115 ( -1.842 1.138 -1.585) 2.683 8.254 ( -3.520 -5.422 -1.979) 6.760 8.697 ( -5.294 3.616 -0.333) 6.419 8.790 ( -8.849 -0.794 -0.115) 8.886 10.569 ( 6.766 0.737 0.587) 6.831 10.759 ( 3.446 -8.941 -0.500) 9.595 12.365 ( 4.366 16.391 0.704) 16.977 12.966 ( 9.068 -14.080 -0.501) 16.755 13.036 ( -9.079 13.615 -0.880) 16.388 13.530 ( -5.504 -11.163 0.114) 12.447 ======================= Grid point 335 (114/150) ======================= q-point: ( 0.45 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 3.486 -2.712 6.101) 7.532 2.252 ( 1.799 -2.763 6.918) 7.664 2.388 ( 3.834 0.313 -2.226) 4.444 2.441 ( -0.295 -0.846 -1.493) 1.741 2.878 ( 6.222 1.590 -4.408) 7.789 2.890 ( 4.445 1.090 -5.670) 7.286 3.211 ( -3.239 -0.289 6.426) 7.202 3.233 ( -4.873 -1.498 5.458) 7.468 3.423 ( 5.598 2.354 1.481) 6.251 3.548 ( -6.249 -3.635 1.376) 7.359 4.653 ( 6.045 1.945 -0.734) 6.393 4.677 ( 3.389 0.709 -0.731) 3.539 6.732 ( 5.679 5.611 -3.043) 8.544 6.841 ( -4.798 0.274 -3.096) 5.717 8.117 ( 1.876 -1.259 -1.827) 2.906 8.178 ( -3.665 -4.150 -1.988) 5.883 8.623 ( -1.342 2.085 -0.502) 2.530 8.652 ( -4.248 0.656 -0.477) 4.325 10.699 ( 5.456 -2.241 0.543) 5.923 10.777 ( -1.744 -6.306 0.016) 6.543 12.538 ( 11.669 17.298 0.203) 20.867 12.801 ( -12.977 15.754 -0.466) 20.416 13.171 ( 10.343 -15.041 -0.345) 18.257 13.376 ( -9.178 -13.453 -0.091) 16.286 ======================= Grid point 341 (115/150) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 -11.810 -3.206) 12.237 1.306 ( 0.000 11.810 -3.206) 12.237 2.064 ( 0.000 -7.526 0.249) 7.530 2.064 ( 0.000 7.526 0.249) 7.530 2.439 ( 0.000 -5.780 -5.804) 8.191 2.439 ( 0.000 5.780 -5.804) 8.191 2.716 ( 0.000 -21.700 -0.573) 21.708 2.716 ( 0.000 21.700 -0.573) 21.708 3.604 ( 0.000 -9.638 9.896) 13.814 3.604 ( 0.000 9.638 9.896) 13.814 3.860 ( 0.000 -8.530 1.037) 8.592 3.860 ( 0.000 8.530 1.037) 8.592 6.684 ( 0.000 -18.021 -3.226) 18.308 6.684 ( 0.000 18.021 -3.226) 18.308 8.608 ( 0.000 -3.528 -2.014) 4.063 8.608 ( 0.000 3.528 -2.014) 4.063 8.835 ( 0.000 -14.003 0.094) 14.003 8.835 ( 0.000 14.003 0.094) 14.003 10.554 ( 0.000 -4.832 1.729) 5.132 10.554 ( 0.000 4.832 1.729) 5.132 12.914 ( 0.000 -7.032 -1.500) 7.190 12.914 ( 0.000 7.032 -1.500) 7.190 13.058 ( 0.000 -4.460 -0.025) 4.460 13.058 ( 0.000 4.460 -0.025) 4.460 ======================= Grid point 343 (116/150) ======================= q-point: ( 0.09 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.494 -10.090 -1.298) 11.121 1.339 ( 4.494 10.090 -1.298) 11.121 2.112 ( 3.793 -6.533 -1.173) 7.644 2.112 ( 3.793 6.533 -1.173) 7.644 2.459 ( 2.078 -5.359 -5.663) 8.068 2.459 ( 2.078 5.359 -5.663) 8.068 2.901 ( 16.132 -19.832 0.495) 25.569 2.901 ( 16.132 19.832 0.495) 25.569 3.590 ( -1.269 -7.240 9.215) 11.788 3.590 ( -1.269 7.240 9.215) 11.788 3.850 ( -0.371 -8.268 0.938) 8.330 3.850 ( -0.371 8.268 0.938) 8.330 6.695 ( 0.993 -17.581 -3.342) 17.923 6.695 ( 0.993 17.581 -3.342) 17.923 8.507 ( -7.072 -1.540 -1.709) 7.436 8.507 ( -7.072 1.540 -1.709) 7.436 8.927 ( 5.717 -11.145 0.016) 12.526 8.927 ( 5.717 11.145 0.016) 12.526 10.521 ( -2.646 -5.367 1.346) 6.133 10.521 ( -2.646 5.367 1.346) 6.133 12.760 ( -8.708 -1.760 -0.738) 8.914 12.760 ( -8.708 1.760 -0.738) 8.914 13.215 ( 8.942 -7.906 -0.571) 11.950 13.215 ( 8.942 7.906 -0.571) 11.950 ======================= Grid point 345 (117/150) ======================= q-point: ( 0.18 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 12.788 -6.224 1.800) 14.335 1.520 ( 12.788 6.224 1.800) 14.335 2.192 ( 3.758 -5.276 -2.158) 6.827 2.192 ( 3.758 5.276 -2.158) 6.827 2.524 ( 4.104 -4.452 -5.509) 8.186 2.524 ( 4.104 4.452 -5.509) 8.186 3.249 ( 13.612 -15.858 3.542) 21.197 3.249 ( 13.612 15.858 3.542) 21.197 3.561 ( -1.168 -4.153 6.167) 7.526 3.561 ( -1.168 4.153 6.167) 7.526 3.895 ( 6.852 -10.025 0.382) 12.149 3.895 ( 6.852 10.025 0.382) 12.149 6.723 ( 1.652 -16.057 -3.589) 16.536 6.723 ( 1.652 16.057 -3.589) 16.536 8.365 ( -6.483 -2.284 -1.521) 7.040 8.365 ( -6.483 2.284 -1.521) 7.040 8.992 ( -0.358 -8.591 0.345) 8.605 8.992 ( -0.358 8.591 0.345) 8.605 10.482 ( -0.250 -6.114 0.448) 6.135 10.482 ( -0.250 6.114 0.448) 6.135 12.621 ( -4.460 -5.055 -0.207) 6.744 12.621 ( -4.460 5.055 -0.207) 6.744 13.359 ( 4.629 -9.858 -0.637) 10.910 13.359 ( 4.629 9.858 -0.637) 10.910 ======================= Grid point 347 (118/150) ======================= q-point: ( 0.27 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 15.565 -3.748 4.466) 16.621 1.824 ( 15.565 3.748 4.466) 16.621 2.262 ( 3.076 -3.937 -2.201) 5.460 2.262 ( 3.076 3.937 -2.201) 5.460 2.623 ( 5.495 -3.237 -5.426) 8.373 2.623 ( 5.495 3.237 -5.426) 8.373 3.367 ( -0.336 -7.737 7.236) 10.599 3.367 ( -0.336 7.737 7.236) 10.599 3.542 ( -1.223 -6.580 2.110) 7.018 3.542 ( -1.223 6.580 2.110) 7.018 4.167 ( 17.260 -7.262 -0.666) 18.737 4.167 ( 17.260 7.262 -0.666) 18.737 6.759 ( 1.828 -13.073 -3.788) 13.733 6.759 ( 1.828 13.073 -3.788) 13.733 8.246 ( -4.978 -3.697 -1.364) 6.349 8.246 ( -4.978 3.697 -1.364) 6.349 8.911 ( -6.780 -5.230 0.294) 8.568 8.911 ( -6.780 5.230 0.294) 8.568 10.526 ( 4.144 -6.123 -0.114) 7.395 10.526 ( 4.144 6.123 -0.114) 7.395 12.587 ( 1.304 -11.723 0.159) 11.796 12.587 ( 1.304 11.723 0.159) 11.796 13.392 ( -1.553 -11.447 -0.645) 11.570 13.392 ( -1.553 11.447 -0.645) 11.570 ======================= Grid point 349 (119/150) ======================= q-point: ( 0.36 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 9.744 -2.006 6.698) 11.993 2.100 ( 9.744 2.006 6.698) 11.993 2.331 ( 4.095 -2.992 -2.575) 5.688 2.331 ( 4.095 2.992 -2.575) 5.688 2.750 ( 6.962 -1.852 -5.091) 8.822 2.750 ( 6.962 1.852 -5.091) 8.822 3.314 ( -4.157 -1.472 6.584) 7.924 3.314 ( -4.157 1.472 6.584) 7.924 3.507 ( -1.872 -8.296 1.553) 8.645 3.507 ( -1.872 8.296 1.553) 8.645 4.495 ( 13.116 -2.946 -0.818) 13.468 4.495 ( 13.116 2.946 -0.818) 13.468 6.794 ( 1.480 -8.558 -3.906) 9.523 6.794 ( 1.480 8.558 -3.906) 9.523 8.163 ( -3.093 -3.870 -1.337) 5.132 8.163 ( -3.093 3.870 -1.337) 5.132 8.757 ( -7.086 -2.622 -0.188) 7.558 8.757 ( -7.086 2.622 -0.188) 7.558 10.624 ( 4.720 -5.101 -0.039) 6.949 10.624 ( 4.720 5.101 -0.039) 6.949 12.674 ( 7.063 -16.126 0.179) 17.606 12.674 ( 7.063 16.126 0.179) 17.606 13.297 ( -7.504 -13.299 -0.596) 15.282 13.297 ( -7.504 13.299 -0.596) 15.282 ======================= Grid point 351 (120/150) ======================= q-point: ( 0.45 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 1.860 -0.992 6.195) 6.544 2.208 ( 1.860 0.992 6.195) 6.544 2.416 ( 2.835 -1.801 -1.766) 3.795 2.416 ( 2.835 1.801 -1.766) 3.795 2.896 ( 5.988 -0.356 -4.685) 7.612 2.896 ( 5.988 0.356 -4.685) 7.612 3.213 ( -4.606 -0.559 6.148) 7.702 3.213 ( -4.606 0.559 6.148) 7.702 3.478 ( -0.762 -3.468 1.662) 3.920 3.478 ( -0.762 3.468 1.662) 3.920 4.678 ( 4.540 -0.627 -0.732) 4.641 4.678 ( 4.540 0.627 -0.732) 4.641 6.816 ( 0.576 -2.971 -3.991) 5.009 6.816 ( 0.576 2.971 -3.991) 5.009 8.120 ( -1.040 -1.709 -1.397) 2.440 8.120 ( -1.040 1.709 -1.397) 2.440 8.651 ( -2.811 -0.821 -0.544) 2.978 8.651 ( -2.811 0.821 -0.544) 2.978 10.696 ( 1.921 -2.086 0.187) 2.842 10.696 ( 1.921 2.086 0.187) 2.842 12.864 ( 10.892 -16.915 -0.087) 20.118 12.864 ( 10.892 16.915 -0.087) 20.118 13.100 ( -11.083 -15.358 -0.412) 18.944 13.100 ( -11.083 15.358 -0.412) 18.944 ======================= Grid point 396 (121/150) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 -0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 -0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 12.684 ( 0.000 0.000 0.000) 0.000 12.806 ( 0.000 0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 398 (122/150) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 12.082 0.000 0.000) 12.082 1.749 ( 32.828 0.000 0.000) 32.828 1.799 ( 6.320 0.000 -0.000) 6.320 2.121 ( -4.789 0.000 0.000) 4.789 2.220 ( 2.019 0.000 -0.000) 2.019 2.412 ( 4.406 0.000 0.000) 4.406 2.536 ( 3.276 0.000 0.000) 3.276 2.748 ( -0.069 0.000 0.000) 0.069 3.301 ( -0.376 0.000 0.000) 0.376 3.860 ( 9.692 0.000 0.000) 9.692 4.233 ( -1.988 0.000 0.000) 1.988 4.246 ( -11.893 0.000 0.000) 11.893 5.817 ( 1.225 0.000 0.000) 1.225 7.586 ( -3.645 0.000 0.000) 3.645 8.177 ( 5.849 0.000 0.000) 5.849 8.395 ( -9.339 0.000 0.000) 9.339 8.722 ( -1.076 0.000 0.000) 1.076 9.463 ( -7.280 0.000 0.000) 7.280 9.743 ( 19.070 0.000 0.000) 19.070 10.534 ( 4.434 0.000 0.000) 4.434 12.742 ( 5.683 0.000 0.000) 5.683 12.806 ( -0.243 0.000 0.000) 0.243 12.863 ( -21.108 0.000 0.000) 21.108 13.584 ( 12.633 0.000 0.000) 12.633 ======================= Grid point 400 (123/150) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 4.232 0.000 0.000) 4.232 1.975 ( 18.769 0.000 0.000) 18.769 2.095 ( 4.955 0.000 -0.000) 4.955 2.279 ( 3.595 0.000 -0.000) 3.595 2.305 ( 13.152 0.000 0.000) 13.152 2.523 ( 5.421 0.000 0.000) 5.421 2.749 ( 0.220 0.000 0.000) 0.220 2.830 ( 31.096 0.000 0.000) 31.096 3.297 ( 0.091 0.000 0.000) 0.091 3.962 ( -14.249 0.000 0.000) 14.249 4.089 ( 11.725 0.000 -0.000) 11.725 4.168 ( -4.426 0.000 0.000) 4.426 5.873 ( 4.545 0.000 0.000) 4.545 7.474 ( -7.164 0.000 0.000) 7.164 8.221 ( -7.041 0.000 0.000) 7.041 8.315 ( 6.630 0.000 0.000) 6.630 8.691 ( -2.034 0.000 0.000) 2.034 9.261 ( -11.823 0.000 0.000) 11.823 10.135 ( 17.507 0.000 0.000) 17.507 10.686 ( 10.629 0.000 0.000) 10.629 12.417 ( -22.035 0.000 0.000) 22.035 12.783 ( -2.354 0.000 0.000) 2.354 12.913 ( 10.636 0.000 0.000) 10.636 13.788 ( 7.283 0.000 0.000) 7.283 ======================= Grid point 402 (124/150) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 5.880 0.000 0.000) 5.880 2.278 ( 10.387 0.000 0.000) 10.387 2.362 ( 4.364 0.000 0.000) 4.364 2.367 ( 17.494 0.000 -0.000) 17.494 2.436 ( 3.315 0.000 0.000) 3.315 2.632 ( 4.957 0.000 0.000) 4.957 2.774 ( 3.434 0.000 0.000) 3.434 3.303 ( 0.426 0.000 0.000) 0.426 3.531 ( 23.645 0.000 0.000) 23.645 3.732 ( 0.202 0.000 0.000) 0.202 4.050 ( -7.115 0.000 0.000) 7.115 4.321 ( 10.630 0.000 0.000) 10.630 6.011 ( 8.877 0.000 0.000) 8.877 7.294 ( -10.267 0.000 0.000) 10.267 8.112 ( -3.420 0.000 0.000) 3.420 8.422 ( 3.468 0.000 0.000) 3.468 8.630 ( -4.103 0.000 0.000) 4.103 9.003 ( -12.677 0.000 0.000) 12.677 10.444 ( 12.933 0.000 0.000) 12.933 10.975 ( 17.289 0.000 0.000) 17.289 11.972 ( -20.993 0.000 0.000) 20.993 12.694 ( -6.595 0.000 0.000) 6.595 13.160 ( 12.890 0.000 0.000) 12.890 13.887 ( 2.445 0.000 0.000) 2.445 ======================= Grid point 404 (125/150) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 8.822 0.000 0.000) 8.822 2.452 ( 4.197 0.000 0.000) 4.197 2.478 ( 0.692 0.000 0.000) 0.692 2.480 ( 8.933 0.000 -0.000) 8.933 2.580 ( 2.987 0.000 -0.000) 2.987 2.712 ( 2.495 0.000 0.000) 2.495 2.978 ( 16.166 0.000 0.000) 16.166 3.312 ( 0.419 0.000 0.000) 0.419 3.471 ( -7.198 0.000 0.000) 7.198 3.875 ( -9.950 0.000 0.000) 9.950 4.214 ( 23.493 0.000 0.000) 23.493 4.515 ( 7.855 0.000 0.000) 7.855 6.231 ( 12.227 0.000 0.000) 12.227 7.058 ( -12.550 0.000 0.000) 12.550 8.091 ( 1.560 0.000 0.000) 1.560 8.465 ( 1.282 0.000 0.000) 1.282 8.515 ( -7.120 0.000 0.000) 7.120 8.762 ( -10.411 0.000 0.000) 10.411 10.688 ( 11.379 0.000 0.000) 11.379 11.375 ( 21.043 0.000 0.000) 21.043 11.564 ( -18.506 0.000 0.000) 18.506 12.504 ( -11.993 0.000 0.000) 11.993 13.422 ( 12.151 0.000 0.000) 12.151 13.891 ( -1.975 0.000 0.000) 1.975 ======================= Grid point 406 (126/150) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 7.275 0.000 0.000) 7.275 2.455 ( -3.188 0.000 0.000) 3.188 2.529 ( 3.254 0.000 0.000) 3.254 2.581 ( -1.646 0.000 -0.000) 1.646 2.636 ( 6.128 0.000 0.000) 6.128 2.721 ( -1.872 0.000 0.000) 1.872 3.323 ( 0.850 0.000 0.000) 0.850 3.330 ( 16.608 0.000 0.000) 16.608 3.362 ( -3.365 0.000 0.000) 3.365 3.638 ( -13.251 0.000 0.000) 13.251 4.552 ( 9.395 0.000 0.000) 9.395 4.621 ( 1.755 0.000 0.000) 1.755 6.501 ( 13.790 0.000 0.000) 13.790 6.786 ( -13.774 0.000 0.000) 13.774 8.179 ( 6.783 0.000 0.000) 6.783 8.346 ( -8.833 0.000 0.000) 8.833 8.499 ( 2.556 0.000 0.000) 2.556 8.588 ( -6.366 0.000 0.000) 6.366 10.931 ( 12.598 0.000 0.000) 12.598 11.216 ( -15.355 0.000 0.000) 15.355 11.810 ( 20.681 0.000 0.000) 20.681 12.203 ( -17.174 0.000 0.000) 17.174 13.647 ( 9.566 0.000 0.000) 9.566 13.808 ( -6.035 0.000 0.000) 6.035 ======================= Grid point 418 (127/150) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.000 -8.789 0.000) 8.789 1.481 ( 0.000 13.950 0.000) 13.950 1.757 ( 0.000 2.892 -0.000) 2.892 2.016 ( 0.000 -12.661 0.000) 12.661 2.259 ( 0.000 1.723 0.000) 1.723 2.345 ( 0.000 -2.189 0.000) 2.189 2.648 ( 0.000 10.188 0.000) 10.188 2.736 ( 0.000 1.347 0.000) 1.347 3.345 ( 0.000 4.072 0.000) 4.072 3.669 ( 0.000 -8.124 0.000) 8.124 4.253 ( 0.000 -0.552 0.000) 0.552 4.315 ( 0.000 -6.397 0.000) 6.397 5.872 ( 0.000 6.716 0.000) 6.716 7.548 ( 0.000 -8.043 0.000) 8.043 8.172 ( 0.000 6.219 0.000) 6.219 8.501 ( 0.000 -1.329 0.000) 1.329 8.717 ( 0.000 -1.652 0.000) 1.652 9.449 ( 0.000 -5.267 0.000) 5.267 9.721 ( 0.000 16.884 0.000) 16.884 10.517 ( 0.000 2.607 0.000) 2.607 12.687 ( 0.000 0.503 0.000) 0.503 12.828 ( 0.000 2.288 0.000) 2.288 13.234 ( 0.000 -1.340 0.000) 1.340 13.255 ( 0.000 -3.600 0.000) 3.600 ======================= Grid point 420 (128/150) ======================= q-point: ( 0.09 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 12.069 -9.164 0.000) 15.154 1.818 ( 5.406 1.984 0.000) 5.759 1.858 ( 30.348 10.924 -0.000) 32.254 1.977 ( -2.669 -11.735 0.000) 12.035 2.270 ( 1.499 2.487 0.000) 2.904 2.388 ( 4.143 -2.529 0.000) 4.853 2.661 ( 1.518 6.884 0.000) 7.050 2.754 ( 2.248 5.143 0.000) 5.613 3.337 ( -0.510 3.875 0.000) 3.908 3.787 ( 10.166 -7.530 0.000) 12.651 4.195 ( -10.677 -4.988 0.000) 11.785 4.232 ( -2.038 -0.631 -0.000) 2.133 5.884 ( 1.316 6.849 0.000) 6.974 7.514 ( -3.272 -7.602 0.000) 8.277 8.227 ( 4.854 5.072 0.000) 7.021 8.395 ( -8.148 0.326 0.000) 8.154 8.710 ( -0.577 -1.044 0.000) 1.193 9.449 ( -4.244 -2.894 0.000) 5.137 9.842 ( 12.941 10.735 0.000) 16.814 10.552 ( 3.598 1.708 0.000) 3.983 12.735 ( 4.790 -0.616 0.000) 4.830 12.837 ( 0.561 3.287 0.000) 3.334 12.853 ( -20.287 -1.093 0.000) 20.316 13.554 ( 12.543 -3.052 0.000) 12.909 ======================= Grid point 422 (129/150) ======================= q-point: ( 0.18 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 18.480 -9.060 0.000) 20.581 1.900 ( 1.806 -4.305 0.000) 4.668 2.017 ( 7.791 -4.558 -0.000) 9.026 2.327 ( 3.962 3.177 0.000) 5.078 2.380 ( 12.150 5.270 0.000) 13.244 2.521 ( 7.082 0.787 0.000) 7.125 2.730 ( 4.910 -1.639 0.000) 5.177 2.957 ( 24.609 12.098 0.000) 27.422 3.330 ( -0.221 3.371 0.000) 3.378 3.936 ( -13.239 -2.580 0.000) 13.488 4.015 ( 9.528 -6.949 -0.000) 11.793 4.184 ( -1.141 0.588 0.000) 1.283 5.940 ( 4.427 6.859 0.000) 8.164 7.414 ( -6.367 -6.277 0.000) 8.940 8.233 ( -6.995 1.209 0.000) 7.099 8.338 ( 5.076 2.086 0.000) 5.488 8.692 ( -1.362 0.417 0.000) 1.424 9.272 ( -11.575 0.606 0.000) 11.591 10.154 ( 15.128 2.205 0.000) 15.288 10.679 ( 9.099 -0.768 0.000) 9.132 12.429 ( -20.531 1.330 0.000) 20.574 12.832 ( -1.483 5.065 0.000) 5.278 12.885 ( 9.571 -2.789 0.000) 9.970 13.757 ( 7.191 -3.232 0.000) 7.884 ======================= Grid point 424 (130/150) ======================= q-point: ( 0.27 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 6.774 -3.082 0.000) 7.442 2.198 ( 8.745 -4.942 0.000) 10.045 2.247 ( 16.936 -7.991 -0.000) 18.726 2.428 ( 5.811 3.889 0.000) 6.992 2.521 ( 5.146 0.970 0.000) 5.237 2.580 ( 0.335 -0.111 0.000) 0.353 2.852 ( 7.490 6.083 0.000) 9.649 3.327 ( -0.125 2.410 0.000) 2.413 3.570 ( 15.313 3.386 0.000) 15.683 3.736 ( 7.034 1.190 0.000) 7.134 4.019 ( -5.941 -3.507 0.000) 6.898 4.319 ( 10.609 -0.256 0.000) 10.612 6.072 ( 8.427 6.251 0.000) 10.493 7.254 ( -9.192 -4.233 0.000) 10.120 8.119 ( -3.845 0.707 0.000) 3.909 8.413 ( 2.017 -1.157 0.000) 2.325 8.644 ( -3.505 1.707 0.000) 3.899 9.014 ( -12.793 0.960 0.000) 12.829 10.431 ( 11.932 -1.212 0.000) 11.993 10.925 ( 14.197 -4.970 0.000) 15.041 12.030 ( -17.593 5.880 0.000) 18.549 12.758 ( -6.011 6.545 0.000) 8.886 13.114 ( 12.133 -4.809 0.000) 13.051 13.852 ( 2.144 -3.651 0.000) 4.234 ======================= Grid point 426 (131/150) ======================= q-point: ( 0.36 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 9.401 -1.285 0.000) 9.488 2.357 ( 6.534 -5.613 0.000) 8.614 2.466 ( 3.453 -1.361 0.000) 3.712 2.560 ( 6.735 4.160 0.000) 7.917 2.569 ( -1.100 -3.457 -0.000) 3.628 2.655 ( 7.479 -1.898 0.000) 7.717 3.056 ( 12.580 6.380 0.000) 14.106 3.322 ( -0.386 0.978 0.000) 1.052 3.460 ( -7.458 -1.077 0.000) 7.535 3.859 ( -9.390 -1.877 0.000) 9.576 4.242 ( 22.629 2.894 0.000) 22.813 4.518 ( 8.152 0.302 0.000) 8.157 6.279 ( 11.461 4.942 0.000) 12.481 7.041 ( -11.385 -1.825 0.000) 11.530 8.087 ( 1.009 -0.309 0.000) 1.055 8.416 ( -2.070 -3.917 0.000) 4.430 8.556 ( -4.156 3.080 0.000) 5.173 8.771 ( -10.411 0.909 0.000) 10.451 10.659 ( 10.683 -2.807 0.000) 11.046 11.183 ( 6.831 -12.910 0.000) 14.606 11.774 ( -3.726 14.847 0.000) 15.307 12.579 ( -11.503 7.566 0.000) 13.769 13.364 ( 11.836 -5.996 0.000) 13.268 13.848 ( -2.456 -4.511 0.000) 5.137 ======================= Grid point 428 (132/150) ======================= q-point: ( 0.45 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 7.583 -0.467 0.000) 7.598 2.455 ( -3.488 0.012 0.000) 3.488 2.467 ( 4.308 -5.008 0.000) 6.606 2.535 ( -2.369 -4.365 -0.000) 4.967 2.688 ( 5.199 3.923 0.000) 6.513 2.744 ( 0.525 2.052 0.000) 2.118 3.315 ( -0.069 -0.799 0.000) 0.802 3.319 ( 4.957 -0.887 -0.000) 5.036 3.376 ( 6.507 1.184 0.000) 6.614 3.635 ( -12.360 -0.453 0.000) 12.368 4.566 ( 8.934 1.453 0.000) 9.052 4.629 ( 1.970 0.797 0.000) 2.125 6.530 ( 12.761 3.009 0.000) 13.111 6.793 ( -12.617 0.661 0.000) 12.634 8.162 ( 6.067 -1.598 0.000) 6.274 8.310 ( -7.393 -3.346 0.000) 8.115 8.524 ( 1.262 2.276 0.000) 2.602 8.600 ( -6.081 1.188 0.000) 6.196 10.882 ( 11.187 -4.662 0.000) 12.119 11.110 ( -10.183 -9.173 0.000) 13.705 11.946 ( 16.064 12.374 0.000) 20.277 12.291 ( -16.121 8.852 0.000) 18.392 13.587 ( 9.705 -6.184 0.000) 11.508 13.755 ( -6.474 -5.535 0.000) 8.518 ======================= Grid point 440 (133/150) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 -6.712 0.000) 6.712 1.740 ( 0.000 -15.442 0.000) 15.442 1.826 ( 0.000 21.275 0.000) 21.275 1.834 ( 0.000 5.128 -0.000) 5.128 2.280 ( 0.000 0.890 0.000) 0.890 2.285 ( 0.000 -4.000 0.000) 4.000 2.623 ( 0.000 -5.802 0.000) 5.802 3.014 ( 0.000 19.836 0.000) 19.836 3.448 ( 0.000 -14.915 0.000) 14.915 3.458 ( 0.000 7.609 0.000) 7.609 4.166 ( 0.000 -8.748 0.000) 8.748 4.205 ( 0.000 -5.151 -0.000) 5.151 6.053 ( 0.000 12.101 0.000) 12.101 7.326 ( 0.000 -14.958 0.000) 14.958 8.337 ( 0.000 10.938 0.000) 10.938 8.501 ( 0.000 1.252 0.000) 1.252 8.678 ( 0.000 -2.317 0.000) 2.317 9.305 ( 0.000 -9.669 0.000) 9.669 10.083 ( 0.000 19.277 0.000) 19.277 10.576 ( 0.000 3.112 0.000) 3.112 12.712 ( 0.000 2.372 0.000) 2.372 12.889 ( 0.000 3.919 0.000) 3.919 13.162 ( 0.000 -6.050 0.000) 6.050 13.196 ( 0.000 -2.613 0.000) 2.613 ======================= Grid point 442 (134/150) ======================= q-point: ( 0.09 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 11.434 -7.446 0.000) 13.645 1.723 ( -0.759 -13.729 0.000) 13.750 1.881 ( 4.359 4.164 0.000) 6.028 2.137 ( 25.853 17.871 0.000) 31.429 2.303 ( 2.283 1.273 0.000) 2.614 2.319 ( 3.383 -4.589 0.000) 5.701 2.628 ( 0.458 -5.194 0.000) 5.214 3.046 ( 3.691 19.365 0.000) 19.714 3.441 ( -0.765 6.355 0.000) 6.400 3.586 ( 11.275 -13.021 0.000) 17.224 4.077 ( -8.044 -7.014 0.000) 10.673 4.186 ( -1.560 -4.691 -0.000) 4.944 6.067 ( 1.499 12.237 0.000) 12.328 7.305 ( -2.016 -14.078 0.000) 14.221 8.354 ( 1.318 7.709 0.000) 7.821 8.415 ( -6.922 1.815 0.000) 7.156 8.695 ( 1.540 -0.069 0.000) 1.542 9.339 ( 0.672 -8.346 0.000) 8.373 10.105 ( 3.003 15.258 0.000) 15.551 10.587 ( 1.417 1.656 0.000) 2.179 12.726 ( 1.968 -0.257 0.000) 1.985 12.824 ( -17.815 -1.824 0.000) 17.908 12.927 ( 2.824 6.007 0.000) 6.637 13.473 ( 12.084 -5.433 0.000) 13.249 ======================= Grid point 444 (135/150) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 18.832 -8.189 -0.000) 20.536 1.755 ( 4.632 -9.092 0.000) 10.203 1.998 ( 6.555 1.727 0.000) 6.779 2.373 ( 4.519 1.787 -0.000) 4.859 2.383 ( 3.700 -3.980 0.000) 5.434 2.617 ( 3.519 2.996 -0.000) 4.621 2.718 ( 18.497 5.625 0.000) 19.333 3.238 ( 18.130 16.357 0.000) 24.418 3.419 ( -1.308 5.772 0.000) 5.919 3.839 ( 10.569 -11.560 0.000) 15.663 3.874 ( -10.648 -3.604 -0.000) 11.241 4.168 ( 1.265 -2.683 0.000) 2.967 6.122 ( 4.053 12.097 0.000) 12.758 7.242 ( -4.087 -11.657 0.000) 12.352 8.265 ( -7.115 2.071 0.000) 7.410 8.376 ( 0.515 1.349 0.000) 1.444 8.724 ( 0.707 3.540 0.000) 3.610 9.255 ( -8.765 -3.019 0.000) 9.270 10.227 ( 8.344 5.571 0.000) 10.033 10.652 ( 5.282 -2.218 0.000) 5.729 12.467 ( -16.384 2.731 0.000) 16.610 12.812 ( 6.513 -4.647 0.000) 8.001 12.968 ( 0.534 8.861 0.000) 8.877 13.668 ( 6.806 -6.077 0.000) 9.124 ======================= Grid point 446 (136/150) ======================= q-point: ( 0.27 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 10.125 -3.919 0.000) 10.857 2.095 ( 18.861 -7.860 0.000) 20.433 2.136 ( 6.688 -1.195 -0.000) 6.794 2.445 ( 2.128 -5.148 -0.000) 5.571 2.484 ( 6.229 2.140 0.000) 6.586 2.635 ( 0.564 1.453 -0.000) 1.559 2.994 ( 9.660 9.436 0.000) 13.504 3.388 ( -1.746 3.759 0.000) 4.145 3.606 ( -4.402 -0.106 0.000) 4.403 3.822 ( 22.967 7.974 0.000) 24.311 3.911 ( -2.755 -7.858 -0.000) 8.327 4.308 ( 10.951 -1.120 0.000) 11.008 6.237 ( 7.109 10.867 0.000) 12.986 7.136 ( -6.230 -8.100 0.000) 10.218 8.139 ( -4.766 1.465 0.000) 4.986 8.372 ( -0.972 -3.118 0.000) 3.266 8.702 ( -2.973 4.398 0.000) 5.309 9.026 ( -12.285 -0.166 0.000) 12.286 10.413 ( 9.269 -0.166 0.000) 9.271 10.803 ( 8.666 -7.451 0.000) 11.429 12.179 ( -10.863 9.405 0.000) 14.368 12.926 ( -4.246 10.210 0.000) 11.058 12.987 ( 9.455 -7.851 0.000) 12.289 13.751 ( 1.271 -6.977 0.000) 7.092 ======================= Grid point 448 (137/150) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 10.974 -0.650 0.000) 10.993 2.265 ( 5.773 -3.489 0.000) 6.745 2.403 ( 8.466 -6.335 0.000) 10.574 2.469 ( 0.509 -4.165 -0.000) 4.196 2.624 ( 7.158 2.647 0.000) 7.632 2.673 ( 4.374 1.786 -0.000) 4.724 3.185 ( 9.467 7.119 0.000) 11.845 3.346 ( -2.318 1.455 0.000) 2.737 3.437 ( -8.040 -1.164 0.000) 8.123 3.797 ( -7.590 -4.753 0.000) 8.956 4.317 ( 20.086 4.838 0.000) 20.661 4.524 ( 8.990 0.259 0.000) 8.994 6.408 ( 9.262 8.351 0.000) 12.471 6.988 ( -8.139 -3.846 0.000) 9.002 8.083 ( -0.374 0.113 0.000) 0.390 8.330 ( -3.287 -5.040 0.000) 6.017 8.621 ( -4.049 3.726 0.000) 5.503 8.789 ( -10.143 0.696 0.000) 10.167 10.601 ( 9.006 -2.705 0.000) 9.403 10.948 ( 3.744 -11.588 0.000) 12.178 12.067 ( 1.116 15.914 0.000) 15.953 12.772 ( -10.394 12.324 0.000) 16.122 13.202 ( 10.852 -10.903 0.000) 15.383 13.724 ( -3.773 -8.507 0.000) 9.306 ======================= Grid point 450 (138/150) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 7.524 -0.471 0.000) 7.539 2.371 ( 4.606 -4.120 0.000) 6.180 2.428 ( -2.300 -5.375 0.000) 5.847 2.460 ( -2.951 -0.774 0.000) 3.051 2.760 ( 5.259 3.477 0.000) 6.304 2.787 ( 3.508 2.361 0.000) 4.229 3.298 ( -1.954 -0.875 0.000) 2.141 3.301 ( -2.648 -0.986 -0.000) 2.826 3.402 ( 9.775 1.573 0.000) 9.901 3.614 ( -10.003 -1.919 0.000) 10.186 4.603 ( 7.684 2.300 0.000) 8.021 4.649 ( 2.551 1.201 0.000) 2.820 6.607 ( 9.892 4.801 0.000) 10.996 6.807 ( -9.408 0.599 0.000) 9.427 8.126 ( 4.252 -1.988 0.000) 4.694 8.235 ( -5.618 -4.315 0.000) 7.084 8.572 ( -0.094 2.595 0.000) 2.597 8.627 ( -5.394 1.429 0.000) 5.580 10.781 ( 8.374 -5.253 0.000) 9.885 10.928 ( -5.081 -9.308 0.000) 10.604 12.223 ( 12.556 16.100 0.000) 20.417 12.513 ( -14.309 13.867 0.000) 19.926 13.419 ( 10.053 -11.375 0.000) 15.181 13.604 ( -7.670 -10.274 0.000) 12.821 ======================= Grid point 462 (139/150) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 0.528 0.000) 0.528 1.467 ( 0.000 -12.798 0.000) 12.798 1.944 ( 0.000 6.328 0.000) 6.328 2.168 ( 0.000 -1.001 0.000) 1.001 2.282 ( 0.000 18.985 0.000) 18.985 2.307 ( 0.000 2.316 0.000) 2.316 2.496 ( 0.000 -7.042 0.000) 7.042 3.116 ( 0.000 -19.809 0.000) 19.809 3.397 ( 0.000 19.736 0.000) 19.736 3.619 ( 0.000 8.813 0.000) 8.813 3.999 ( 0.000 -8.662 0.000) 8.662 4.051 ( 0.000 -10.957 -0.000) 10.957 6.321 ( 0.000 16.016 0.000) 16.016 7.004 ( 0.000 -18.418 0.000) 18.418 8.538 ( 0.000 2.446 0.000) 2.446 8.572 ( 0.000 13.521 0.000) 13.521 8.633 ( 0.000 -2.409 0.000) 2.409 9.091 ( 0.000 -12.671 0.000) 12.671 10.398 ( 0.000 13.194 0.000) 13.194 10.615 ( 0.000 0.459 0.000) 0.459 12.783 ( 0.000 5.063 0.000) 5.063 12.971 ( 0.000 4.611 0.000) 4.611 13.034 ( 0.000 -7.184 0.000) 7.184 13.136 ( 0.000 -3.711 0.000) 3.711 ======================= Grid point 464 (140/150) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 9.450 -1.200 0.000) 9.526 1.483 ( 2.528 -10.890 0.000) 11.180 1.979 ( 3.193 5.957 0.000) 6.759 2.218 ( 3.106 -5.940 -0.000) 6.703 2.332 ( 2.482 2.258 0.000) 3.355 2.489 ( 11.357 7.138 0.000) 13.414 2.532 ( 10.973 7.093 0.000) 13.066 3.273 ( 13.765 -17.938 0.000) 22.611 3.415 ( 2.240 18.754 0.000) 18.887 3.596 ( -2.121 7.765 0.000) 8.049 3.942 ( -5.228 -7.000 0.000) 8.737 4.045 ( -0.198 -10.071 -0.000) 10.073 6.336 ( 1.479 15.919 0.000) 15.987 7.000 ( -0.392 -17.575 0.000) 17.579 8.455 ( -6.732 2.159 0.000) 7.070 8.474 ( -5.247 3.524 0.000) 6.321 8.745 ( 6.141 6.482 0.000) 8.929 9.149 ( 3.538 -11.308 0.000) 11.849 10.368 ( -2.163 11.758 0.000) 11.955 10.598 ( -1.243 -0.970 0.000) 1.577 12.730 ( -2.736 0.727 0.000) 2.831 12.787 ( -13.741 -1.998 0.000) 13.886 13.058 ( 5.929 7.689 0.000) 9.709 13.353 ( 10.924 -7.102 0.000) 13.030 ======================= Grid point 466 (141/150) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 17.603 -4.265 -0.000) 18.113 1.606 ( 9.671 -6.016 0.000) 11.390 2.062 ( 4.554 4.843 0.000) 6.648 2.286 ( 3.297 -5.860 -0.000) 6.724 2.406 ( 4.600 2.066 0.000) 5.042 2.556 ( 2.767 -5.268 -0.000) 5.951 2.967 ( 18.918 16.167 0.000) 24.885 3.534 ( 10.525 13.270 -0.000) 16.937 3.535 ( -3.057 6.069 0.000) 6.795 3.585 ( 13.000 -14.947 0.000) 19.810 3.814 ( -5.571 -1.755 0.000) 5.841 4.073 ( 4.277 -7.384 0.000) 8.533 6.384 ( 3.217 15.198 0.000) 15.535 6.985 ( -1.102 -15.117 0.000) 15.157 8.307 ( -7.151 2.287 0.000) 7.507 8.378 ( -4.084 -0.954 0.000) 4.194 8.833 ( 1.678 7.629 0.000) 7.812 9.154 ( -4.042 -7.301 0.000) 8.346 10.354 ( 1.628 7.304 0.000) 7.484 10.591 ( 1.186 -4.359 0.000) 4.517 12.532 ( -10.559 4.049 0.000) 11.309 12.717 ( 1.729 -5.273 0.000) 5.549 13.155 ( 2.760 10.503 0.000) 10.859 13.530 ( 5.966 -8.439 0.000) 10.335 ======================= Grid point 468 (142/150) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 14.045 -1.259 0.000) 14.101 1.960 ( 18.605 -6.103 0.000) 19.580 2.156 ( 4.432 3.117 -0.000) 5.418 2.346 ( 2.477 -5.394 -0.000) 5.936 2.518 ( 6.284 1.724 0.000) 6.516 2.616 ( 3.050 -2.779 -0.000) 4.126 3.210 ( 6.802 12.801 0.000) 14.495 3.457 ( -4.010 3.204 0.000) 5.133 3.586 ( -6.924 -1.561 0.000) 7.098 3.728 ( 0.841 -11.009 0.000) 11.041 3.997 ( 21.643 9.563 0.000) 23.662 4.264 ( 13.061 -3.779 0.000) 13.596 6.468 ( 4.911 13.114 0.000) 14.004 6.952 ( -2.209 -11.225 0.000) 11.441 8.176 ( -5.349 2.424 0.000) 5.872 8.303 ( -3.407 -3.919 0.000) 5.193 8.803 ( -4.243 5.927 0.000) 7.289 8.996 ( -10.115 -3.048 0.000) 10.565 10.438 ( 6.011 2.943 0.000) 6.693 10.657 ( 4.855 -7.656 0.000) 9.066 12.374 ( -4.296 11.024 0.000) 11.832 12.800 ( 6.189 -10.668 0.000) 12.333 13.154 ( -3.091 12.418 0.000) 12.797 13.591 ( -0.036 -9.776 0.000) 9.776 ======================= Grid point 470 (143/150) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 11.666 0.588 0.000) 11.681 2.245 ( 4.535 1.551 0.000) 4.793 2.270 ( 9.003 -6.554 -0.000) 11.136 2.397 ( 3.306 -4.211 0.000) 5.353 2.663 ( 7.683 1.544 0.000) 7.837 2.693 ( 5.239 0.224 -0.000) 5.244 3.324 ( 4.954 7.020 0.000) 8.592 3.372 ( -4.341 1.154 0.000) 4.492 3.427 ( -7.622 0.766 0.000) 7.660 3.679 ( -4.657 -7.565 0.000) 8.884 4.411 ( 16.569 4.735 0.000) 17.233 4.521 ( 10.563 -0.856 0.000) 10.597 6.580 ( 5.838 9.477 0.000) 11.131 6.893 ( -3.524 -6.223 0.000) 7.152 8.098 ( -1.960 1.627 0.000) 2.547 8.232 ( -3.545 -5.020 0.000) 6.146 8.693 ( -5.389 3.733 0.000) 6.556 8.789 ( -9.125 -0.824 0.000) 9.162 10.576 ( 6.892 0.379 0.000) 6.903 10.754 ( 3.557 -8.768 0.000) 9.462 12.372 ( 4.281 16.195 0.000) 16.751 12.961 ( 9.158 -13.813 0.000) 16.573 13.027 ( -9.000 13.725 0.000) 16.413 13.532 ( -5.578 -11.620 0.000) 12.890 ======================= Grid point 472 (144/150) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 3.413 -2.654 -0.000) 4.324 2.325 ( -0.762 -4.661 0.000) 4.723 2.369 ( 6.289 1.857 -0.000) 6.557 2.445 ( -0.643 -1.258 0.000) 1.413 2.814 ( 5.825 2.101 0.000) 6.192 2.825 ( 5.247 1.455 0.000) 5.445 3.284 ( -3.607 -0.559 0.001) 3.650 3.284 ( -4.388 -0.673 -0.001) 4.439 3.440 ( 5.628 2.485 0.000) 6.152 3.563 ( -6.176 -3.311 0.000) 7.008 4.645 ( 6.072 1.951 0.000) 6.378 4.669 ( 3.415 0.706 0.000) 3.487 6.700 ( 5.653 4.701 0.000) 7.352 6.808 ( -4.761 -0.696 0.000) 4.811 8.098 ( 1.750 -0.739 0.000) 1.900 8.157 ( -3.618 -3.665 0.000) 5.150 8.617 ( -1.398 2.042 0.000) 2.475 8.647 ( -4.340 0.589 0.000) 4.380 10.704 ( 5.284 -2.469 0.000) 5.833 10.777 ( -1.406 -6.285 0.000) 6.441 12.540 ( 11.306 17.153 0.000) 20.544 12.797 ( -12.689 15.705 0.000) 20.191 13.167 ( 10.466 -14.934 0.000) 18.236 13.375 ( -9.304 -13.676 0.000) 16.541 ======================= Grid point 484 (145/150) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 -7.395 0.000) 7.395 1.273 ( 0.000 7.395 0.000) 7.395 2.067 ( 0.000 -6.383 0.000) 6.383 2.067 ( 0.000 6.383 -0.000) 6.383 2.377 ( 0.000 -5.168 0.000) 5.168 2.377 ( 0.000 5.168 0.000) 5.168 2.710 ( 0.000 -22.710 0.000) 22.710 2.710 ( 0.000 22.710 0.000) 22.710 3.708 ( 0.000 -7.948 0.000) 7.948 3.708 ( 0.000 7.948 0.000) 7.948 3.869 ( 0.000 -0.429 0.000) 0.429 3.869 ( 0.000 0.429 0.000) 0.429 6.650 ( 0.000 -18.426 0.000) 18.426 6.650 ( 0.000 18.426 0.000) 18.426 8.586 ( 0.000 -2.506 0.000) 2.506 8.586 ( 0.000 2.506 0.000) 2.506 8.836 ( 0.000 -14.020 0.000) 14.020 8.836 ( 0.000 14.020 0.000) 14.020 10.573 ( 0.000 -5.388 0.000) 5.388 10.573 ( 0.000 5.388 0.000) 5.388 12.898 ( 0.000 -6.926 0.000) 6.926 12.898 ( 0.000 6.926 0.000) 6.926 13.058 ( 0.000 -4.459 0.000) 4.459 13.058 ( 0.000 4.459 0.000) 4.459 ======================= Grid point 488 (146/150) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 6.104 -5.324 0.000) 8.100 1.327 ( 6.104 5.324 0.000) 8.100 2.099 ( 2.872 -6.482 0.000) 7.089 2.099 ( 2.872 6.482 -0.000) 7.089 2.398 ( 2.148 -4.793 0.000) 5.252 2.398 ( 2.148 4.793 0.000) 5.252 2.906 ( 17.020 -20.470 0.000) 26.622 2.906 ( 17.020 20.470 0.000) 26.622 3.687 ( -2.028 -4.179 0.000) 4.645 3.687 ( -2.028 4.179 0.000) 4.645 3.859 ( -0.418 -3.589 0.000) 3.613 3.859 ( -0.418 3.589 0.000) 3.613 6.659 ( 0.884 -17.926 0.000) 17.948 6.659 ( 0.884 17.926 0.000) 17.948 8.488 ( -6.948 -1.056 0.000) 7.028 8.488 ( -6.948 1.056 0.000) 7.028 8.927 ( 5.820 -11.560 0.000) 12.943 8.927 ( 5.820 11.560 0.000) 12.943 10.536 ( -3.029 -5.909 0.000) 6.639 10.536 ( -3.029 5.909 0.000) 6.639 12.752 ( -8.410 -1.598 0.000) 8.561 12.752 ( -8.410 1.598 0.000) 8.561 13.209 ( 8.848 -7.992 0.000) 11.923 13.209 ( 8.848 7.992 0.000) 11.923 ======================= Grid point 492 (147/150) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 14.284 -0.766 0.000) 14.305 1.541 ( 14.284 0.766 0.000) 14.305 2.170 ( 3.692 -6.173 0.000) 7.193 2.170 ( 3.692 6.173 -0.000) 7.193 2.463 ( 4.015 -4.081 0.000) 5.725 2.463 ( 4.015 4.081 0.000) 5.725 3.283 ( 15.847 -16.702 0.000) 23.024 3.283 ( 15.847 16.702 0.000) 23.024 3.629 ( -3.376 -2.818 0.000) 4.398 3.629 ( -3.376 2.818 0.000) 4.398 3.899 ( 6.286 -9.894 0.000) 11.722 3.899 ( 6.286 9.894 0.000) 11.722 6.685 ( 1.528 -16.246 0.000) 16.318 6.685 ( 1.528 16.246 0.000) 16.318 8.348 ( -6.386 -2.009 0.000) 6.695 8.348 ( -6.386 2.009 0.000) 6.695 8.995 ( -0.221 -9.004 0.000) 9.007 8.995 ( -0.221 9.004 0.000) 9.007 10.487 ( -0.714 -6.462 0.000) 6.501 10.487 ( -0.714 6.462 0.000) 6.501 12.618 ( -4.209 -4.983 0.000) 6.522 12.618 ( -4.209 4.983 0.000) 6.522 13.353 ( 4.618 -10.123 0.000) 11.127 13.353 ( 4.618 10.123 0.000) 11.127 ======================= Grid point 496 (148/150) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 16.892 -2.791 0.000) 17.121 1.874 ( 16.892 2.791 0.000) 17.121 2.241 ( 3.182 -5.421 0.000) 6.286 2.241 ( 3.182 5.421 -0.000) 6.286 2.559 ( 5.319 -2.711 0.000) 5.970 2.559 ( 5.319 2.711 0.000) 5.970 3.443 ( 0.424 -9.263 0.000) 9.273 3.443 ( 0.424 9.263 0.000) 9.273 3.566 ( -2.461 -1.432 0.000) 2.847 3.566 ( -2.461 1.432 0.000) 2.847 4.160 ( 16.997 -7.244 0.000) 18.476 4.160 ( 16.997 7.244 0.000) 18.476 6.719 ( 1.753 -13.086 0.000) 13.203 6.719 ( 1.753 13.086 0.000) 13.203 8.231 ( -4.922 -3.440 0.000) 6.005 8.231 ( -4.922 3.440 0.000) 6.005 8.914 ( -6.961 -5.447 0.000) 8.839 8.914 ( -6.961 5.447 0.000) 8.839 10.524 ( 4.039 -6.029 0.000) 7.257 10.524 ( 4.039 6.029 0.000) 7.257 12.589 ( 1.413 -11.423 0.000) 11.510 12.589 ( 1.413 11.423 0.000) 11.510 13.386 ( -1.550 -11.784 0.000) 11.885 13.386 ( -1.550 11.784 0.000) 11.885 ======================= Grid point 500 (149/150) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 10.195 -3.504 0.000) 10.781 2.173 ( 10.195 3.504 0.000) 10.781 2.310 ( 4.289 -4.594 -0.000) 6.284 2.310 ( 4.289 4.594 0.000) 6.284 2.685 ( 7.156 -0.876 0.000) 7.210 2.685 ( 7.156 0.876 0.000) 7.210 3.385 ( -4.781 -0.052 0.000) 4.782 3.385 ( -4.781 0.052 0.000) 4.782 3.523 ( -1.787 -8.302 0.000) 8.492 3.523 ( -1.787 8.302 0.000) 8.492 4.486 ( 13.152 -2.930 0.000) 13.475 4.486 ( 13.152 2.930 0.000) 13.475 6.753 ( 1.428 -8.473 0.000) 8.592 6.753 ( 1.428 8.473 0.000) 8.592 8.148 ( -3.111 -3.656 0.000) 4.800 8.148 ( -3.111 3.656 0.000) 4.800 8.755 ( -7.337 -2.674 0.000) 7.810 8.755 ( -7.337 2.674 0.000) 7.810 10.624 ( 4.840 -4.772 0.000) 6.797 10.624 ( 4.840 4.772 0.000) 6.797 12.676 ( 6.983 -15.754 0.000) 17.232 12.676 ( 6.983 15.754 0.000) 17.232 13.291 ( -7.450 -13.591 0.000) 15.498 13.291 ( -7.450 13.591 0.000) 15.498 ======================= Grid point 504 (150/150) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 1.231 -1.205 -0.000) 1.723 2.267 ( 1.231 1.205 0.000) 1.723 2.411 ( 3.296 -2.245 0.000) 3.988 2.411 ( 3.296 2.245 0.000) 3.988 2.837 ( 5.973 -0.287 0.000) 5.980 2.837 ( 5.973 0.287 0.000) 5.980 3.278 ( -4.408 -0.027 0.000) 4.408 3.278 ( -4.408 0.027 0.000) 4.408 3.497 ( -0.686 -3.434 0.000) 3.502 3.497 ( -0.686 3.434 0.000) 3.502 4.670 ( 4.581 -0.627 0.000) 4.623 4.670 ( 4.581 0.627 0.000) 4.623 6.774 ( 0.546 -2.920 0.000) 2.971 6.774 ( 0.546 2.920 0.000) 2.971 8.105 ( -1.063 -1.622 0.000) 1.939 8.105 ( -1.063 1.622 0.000) 1.939 8.645 ( -2.907 -0.824 0.000) 3.022 8.645 ( -2.907 0.824 0.000) 3.022 10.698 ( 1.996 -1.923 0.000) 2.772 10.698 ( 1.996 1.923 0.000) 2.772 12.863 ( 10.727 -16.748 0.000) 19.888 12.863 ( 10.727 16.748 0.000) 19.888 13.096 ( -10.953 -15.472 0.000) 18.957 13.096 ( -10.953 15.472 0.000) 18.957 =================== 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 3/16896 10.0 453.121 534.947 479.149 0.000 0.000 0.000 3/16896 20.0 115.380 77.395 59.031 0.000 0.000 0.000 3/16896 30.0 53.190 30.186 21.783 0.000 0.000 0.000 3/16896 40.0 35.284 19.181 13.213 0.000 0.000 0.000 3/16896 50.0 27.161 14.655 9.715 0.000 0.000 0.000 3/16896 60.0 22.281 12.039 7.781 0.000 0.000 0.000 3/16896 70.0 18.856 10.232 6.516 0.000 0.000 0.000 3/16896 80.0 16.259 8.870 5.608 0.000 0.000 0.000 3/16896 90.0 14.214 7.798 4.919 0.000 0.000 0.000 3/16896 100.0 12.570 6.934 4.376 0.000 0.000 0.000 3/16896 110.0 11.230 6.226 3.938 0.000 0.000 0.000 3/16896 120.0 10.125 5.640 3.577 0.000 0.000 0.000 3/16896 130.0 9.203 5.148 3.275 0.000 0.000 0.000 3/16896 140.0 8.427 4.732 3.019 0.000 0.000 0.000 3/16896 150.0 7.767 4.377 2.799 0.000 0.000 0.000 3/16896 160.0 7.200 4.070 2.609 0.000 0.000 0.000 3/16896 170.0 6.709 3.804 2.444 0.000 0.000 0.000 3/16896 180.0 6.281 3.570 2.297 0.000 0.000 0.000 3/16896 190.0 5.904 3.364 2.168 0.000 0.000 0.000 3/16896 200.0 5.570 3.180 2.052 0.000 0.000 0.000 3/16896 210.0 5.272 3.016 1.948 0.000 0.000 0.000 3/16896 220.0 5.005 2.868 1.855 0.000 0.000 0.000 3/16896 230.0 4.764 2.735 1.770 0.000 0.000 0.000 3/16896 240.0 4.545 2.613 1.692 0.000 0.000 0.000 3/16896 250.0 4.346 2.502 1.621 0.000 0.000 0.000 3/16896 260.0 4.165 2.401 1.556 0.000 0.000 0.000 3/16896 270.0 3.998 2.307 1.496 0.000 0.000 0.000 3/16896 280.0 3.844 2.221 1.440 0.000 0.000 0.000 3/16896 290.0 3.702 2.141 1.389 0.000 0.000 0.000 3/16896 300.0 3.570 2.067 1.341 0.000 0.000 0.000 3/16896 310.0 3.448 1.998 1.296 0.000 0.000 0.000 3/16896 320.0 3.334 1.933 1.255 0.000 0.000 0.000 3/16896 330.0 3.227 1.873 1.216 0.000 0.000 0.000 3/16896 340.0 3.127 1.816 1.179 0.000 0.000 0.000 3/16896 350.0 3.034 1.763 1.144 0.000 0.000 0.000 3/16896 360.0 2.945 1.713 1.112 0.000 0.000 0.000 3/16896 370.0 2.862 1.665 1.081 0.000 0.000 0.000 3/16896 380.0 2.784 1.621 1.052 0.000 0.000 0.000 3/16896 390.0 2.710 1.578 1.025 0.000 0.000 0.000 3/16896 400.0 2.639 1.538 0.999 0.000 0.000 0.000 3/16896 410.0 2.573 1.500 0.974 0.000 0.000 0.000 3/16896 420.0 2.510 1.464 0.950 0.000 0.000 0.000 3/16896 430.0 2.449 1.429 0.928 0.000 0.000 0.000 3/16896 440.0 2.392 1.396 0.906 0.000 0.000 0.000 3/16896 450.0 2.337 1.365 0.886 0.000 0.000 0.000 3/16896 460.0 2.285 1.335 0.866 0.000 0.000 0.000 3/16896 470.0 2.235 1.306 0.848 0.000 0.000 0.000 3/16896 480.0 2.188 1.279 0.830 0.000 0.000 0.000 3/16896 490.0 2.142 1.253 0.813 0.000 0.000 0.000 3/16896 500.0 2.098 1.227 0.796 0.000 0.000 0.000 3/16896 510.0 2.056 1.203 0.781 0.000 0.000 0.000 3/16896 520.0 2.016 1.180 0.766 0.000 0.000 0.000 3/16896 530.0 1.977 1.158 0.751 0.000 0.000 0.000 3/16896 540.0 1.940 1.136 0.737 0.000 0.000 0.000 3/16896 550.0 1.904 1.115 0.723 0.000 0.000 0.000 3/16896 560.0 1.869 1.095 0.710 0.000 0.000 0.000 3/16896 570.0 1.836 1.076 0.698 0.000 0.000 0.000 3/16896 580.0 1.804 1.057 0.686 0.000 0.000 0.000 3/16896 590.0 1.773 1.039 0.674 0.000 0.000 0.000 3/16896 600.0 1.743 1.022 0.663 0.000 0.000 0.000 3/16896 610.0 1.714 1.005 0.652 0.000 0.000 0.000 3/16896 620.0 1.686 0.989 0.641 0.000 0.000 0.000 3/16896 630.0 1.659 0.973 0.631 0.000 0.000 0.000 3/16896 640.0 1.633 0.958 0.621 0.000 0.000 0.000 3/16896 650.0 1.607 0.943 0.612 0.000 0.000 0.000 3/16896 660.0 1.583 0.929 0.602 0.000 0.000 0.000 3/16896 670.0 1.559 0.915 0.593 0.000 0.000 0.000 3/16896 680.0 1.536 0.902 0.585 0.000 0.000 0.000 3/16896 690.0 1.513 0.889 0.576 0.000 0.000 0.000 3/16896 700.0 1.491 0.876 0.568 0.000 0.000 0.000 3/16896 710.0 1.470 0.864 0.560 0.000 0.000 0.000 3/16896 720.0 1.450 0.852 0.552 0.000 0.000 0.000 3/16896 730.0 1.430 0.840 0.544 0.000 0.000 0.000 3/16896 740.0 1.410 0.829 0.537 0.000 0.000 0.000 3/16896 750.0 1.391 0.818 0.530 0.000 0.000 0.000 3/16896 760.0 1.373 0.807 0.523 0.000 0.000 0.000 3/16896 770.0 1.355 0.796 0.516 0.000 0.000 0.000 3/16896 780.0 1.337 0.786 0.509 0.000 0.000 0.000 3/16896 790.0 1.320 0.776 0.503 0.000 0.000 0.000 3/16896 800.0 1.304 0.767 0.497 0.000 0.000 0.000 3/16896 810.0 1.287 0.757 0.491 0.000 0.000 0.000 3/16896 820.0 1.272 0.748 0.485 0.000 0.000 0.000 3/16896 830.0 1.256 0.739 0.479 0.000 0.000 0.000 3/16896 840.0 1.241 0.730 0.473 0.000 0.000 0.000 3/16896 850.0 1.227 0.722 0.467 0.000 0.000 0.000 3/16896 860.0 1.212 0.713 0.462 0.000 0.000 0.000 3/16896 870.0 1.198 0.705 0.457 0.000 0.000 0.000 3/16896 880.0 1.185 0.697 0.451 0.000 0.000 0.000 3/16896 890.0 1.171 0.689 0.446 0.000 0.000 0.000 3/16896 900.0 1.158 0.682 0.441 0.000 0.000 0.000 3/16896 910.0 1.145 0.674 0.437 0.000 0.000 0.000 3/16896 920.0 1.133 0.667 0.432 0.000 0.000 0.000 3/16896 930.0 1.121 0.660 0.427 0.000 0.000 0.000 3/16896 940.0 1.109 0.653 0.423 0.000 0.000 0.000 3/16896 950.0 1.097 0.646 0.418 0.000 0.000 0.000 3/16896 960.0 1.085 0.639 0.414 0.000 0.000 0.000 3/16896 970.0 1.074 0.633 0.410 0.000 0.000 0.000 3/16896 980.0 1.063 0.626 0.405 0.000 0.000 0.000 3/16896 990.0 1.052 0.620 0.401 0.000 0.000 0.000 3/16896 1000.0 1.042 0.614 0.397 0.000 0.000 0.000 3/16896 Thermal conductivity related properties were written into "kappa-m1188.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:47:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|