----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.568012598198193 -2.457040120000000 0.000000000000000 b 4.568012598198193 2.457040120000000 0.000000000000000 c -2.708634813877077 0.000000000000000 4.524639546071724 Atomic positions (fractional): *1 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 2 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 *3 O 0.25950574666215 0.10929303489498 0.25618382005912 15.999 4 O 0.89070696510502 0.74049425333785 0.24381617994088 15.999 5 O 0.10929303489498 0.25950574666215 0.75618382005912 15.999 6 O 0.74049425333785 0.89070696510502 0.74381617994088 15.999 *7 F 0.38773796612406 0.61226203387594 0.75000000000000 18.998 8 F 0.61226203387594 0.38773796612406 0.25000000000000 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.136025196396385 0.000000000000000 0.000000000000000 b 0.000000000000000 4.914080240000000 0.000000000000000 c -2.708634813877077 0.000000000000000 4.524639546071724 Atomic positions (fractional): *1 Sb 0.25000000000000 0.75000000000000 0.00000000000000 121.760 > 1 2 Sb 0.25000000000000 0.25000000000000 0.50000000000000 121.760 > 2 3 Sb 0.75000000000000 0.25000000000000 0.00000000000000 121.760 > 1 4 Sb 0.75000000000000 0.75000000000000 0.50000000000000 121.760 > 2 *5 O 0.18439939077856 0.92489364411642 0.25618382005912 15.999 > 3 6 O 0.31560060922144 0.42489364411642 0.24381617994088 15.999 > 4 7 O 0.18439939077856 0.07510635588358 0.75618382005912 15.999 > 5 8 O 0.31560060922144 0.57510635588358 0.74381617994088 15.999 > 6 9 O 0.68439939077856 0.42489364411642 0.25618382005912 15.999 > 3 10 O 0.81560060922144 0.92489364411642 0.24381617994088 15.999 > 4 11 O 0.68439939077856 0.57510635588358 0.75618382005912 15.999 > 5 12 O 0.81560060922144 0.07510635588358 0.74381617994088 15.999 > 6 *13 F 0.00000000000000 0.61226203387594 0.75000000000000 18.998 > 7 14 F 0.00000000000000 0.38773796612406 0.25000000000000 18.998 > 8 15 F 0.50000000000000 0.11226203387594 0.75000000000000 18.998 > 7 16 F 0.50000000000000 0.88773796612406 0.25000000000000 18.998 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.272050392792771 0.000000000000000 0.000000000000000 b 0.000000000000000 9.828160479999999 0.000000000000000 c -5.417269627754154 0.000000000000000 9.049279092143449 Atomic positions (fractional): *1 Sb 0.12500000000000 0.37500000000000 0.00000000000000 121.760 > 1 2 Sb 0.62500000000000 0.37500000000000 0.00000000000000 121.760 > 1 3 Sb 0.12500000000000 0.87500000000000 0.00000000000000 121.760 > 1 4 Sb 0.62500000000000 0.87500000000000 0.00000000000000 121.760 > 1 5 Sb 0.12500000000000 0.37500000000000 0.50000000000000 121.760 > 1 6 Sb 0.62500000000000 0.37500000000000 0.50000000000000 121.760 > 1 7 Sb 0.12500000000000 0.87500000000000 0.50000000000000 121.760 > 1 8 Sb 0.62500000000000 0.87500000000000 0.50000000000000 121.760 > 1 9 Sb 0.12500000000000 0.12500000000000 0.25000000000000 121.760 > 2 10 Sb 0.62500000000000 0.12500000000000 0.25000000000000 121.760 > 2 11 Sb 0.12500000000000 0.62500000000000 0.25000000000000 121.760 > 2 12 Sb 0.62500000000000 0.62500000000000 0.25000000000000 121.760 > 2 13 Sb 0.12500000000000 0.12500000000000 0.75000000000000 121.760 > 2 14 Sb 0.62500000000000 0.12500000000000 0.75000000000000 121.760 > 2 15 Sb 0.12500000000000 0.62500000000000 0.75000000000000 121.760 > 2 16 Sb 0.62500000000000 0.62500000000000 0.75000000000000 121.760 > 2 17 Sb 0.37500000000000 0.12500000000000 0.00000000000000 121.760 > 1 18 Sb 0.87500000000000 0.12500000000000 0.00000000000000 121.760 > 1 19 Sb 0.37500000000000 0.62500000000000 0.00000000000000 121.760 > 1 20 Sb 0.87500000000000 0.62500000000000 0.00000000000000 121.760 > 1 21 Sb 0.37500000000000 0.12500000000000 0.50000000000000 121.760 > 1 22 Sb 0.87500000000000 0.12500000000000 0.50000000000000 121.760 > 1 23 Sb 0.37500000000000 0.62500000000000 0.50000000000000 121.760 > 1 24 Sb 0.87500000000000 0.62500000000000 0.50000000000000 121.760 > 1 25 Sb 0.37500000000000 0.37500000000000 0.25000000000000 121.760 > 2 26 Sb 0.87500000000000 0.37500000000000 0.25000000000000 121.760 > 2 27 Sb 0.37500000000000 0.87500000000000 0.25000000000000 121.760 > 2 28 Sb 0.87500000000000 0.87500000000000 0.25000000000000 121.760 > 2 29 Sb 0.37500000000000 0.37500000000000 0.75000000000000 121.760 > 2 30 Sb 0.87500000000000 0.37500000000000 0.75000000000000 121.760 > 2 31 Sb 0.37500000000000 0.87500000000000 0.75000000000000 121.760 > 2 32 Sb 0.87500000000000 0.87500000000000 0.75000000000000 121.760 > 2 *33 O 0.09219969538928 0.46244682205821 0.12809191002956 15.999 > 3 34 O 0.59219969538928 0.46244682205821 0.12809191002956 15.999 > 3 35 O 0.09219969538928 0.96244682205821 0.12809191002956 15.999 > 3 36 O 0.59219969538928 0.96244682205821 0.12809191002956 15.999 > 3 37 O 0.09219969538928 0.46244682205821 0.62809191002956 15.999 > 3 38 O 0.59219969538928 0.46244682205821 0.62809191002956 15.999 > 3 39 O 0.09219969538928 0.96244682205821 0.62809191002956 15.999 > 3 40 O 0.59219969538928 0.96244682205821 0.62809191002956 15.999 > 3 41 O 0.15780030461072 0.21244682205821 0.12190808997044 15.999 > 4 42 O 0.65780030461072 0.21244682205821 0.12190808997044 15.999 > 4 43 O 0.15780030461072 0.71244682205821 0.12190808997044 15.999 > 4 44 O 0.65780030461072 0.71244682205821 0.12190808997044 15.999 > 4 45 O 0.15780030461072 0.21244682205821 0.62190808997044 15.999 > 4 46 O 0.65780030461072 0.21244682205821 0.62190808997044 15.999 > 4 47 O 0.15780030461072 0.71244682205821 0.62190808997044 15.999 > 4 48 O 0.65780030461072 0.71244682205821 0.62190808997044 15.999 > 4 49 O 0.09219969538928 0.03755317794179 0.37809191002956 15.999 > 5 50 O 0.59219969538928 0.03755317794179 0.37809191002956 15.999 > 5 51 O 0.09219969538928 0.53755317794179 0.37809191002956 15.999 > 5 52 O 0.59219969538928 0.53755317794179 0.37809191002956 15.999 > 5 53 O 0.09219969538928 0.03755317794179 0.87809191002956 15.999 > 5 54 O 0.59219969538928 0.03755317794179 0.87809191002956 15.999 > 5 55 O 0.09219969538928 0.53755317794179 0.87809191002956 15.999 > 5 56 O 0.59219969538928 0.53755317794179 0.87809191002956 15.999 > 5 57 O 0.15780030461072 0.28755317794179 0.37190808997044 15.999 > 6 58 O 0.65780030461072 0.28755317794179 0.37190808997044 15.999 > 6 59 O 0.15780030461072 0.78755317794179 0.37190808997044 15.999 > 6 60 O 0.65780030461072 0.78755317794179 0.37190808997044 15.999 > 6 61 O 0.15780030461072 0.28755317794179 0.87190808997044 15.999 > 6 62 O 0.65780030461072 0.28755317794179 0.87190808997044 15.999 > 6 63 O 0.15780030461072 0.78755317794179 0.87190808997044 15.999 > 6 64 O 0.65780030461072 0.78755317794179 0.87190808997044 15.999 > 6 65 O 0.34219969538928 0.21244682205821 0.12809191002956 15.999 > 3 66 O 0.84219969538928 0.21244682205821 0.12809191002956 15.999 > 3 67 O 0.34219969538928 0.71244682205821 0.12809191002956 15.999 > 3 68 O 0.84219969538928 0.71244682205821 0.12809191002956 15.999 > 3 69 O 0.34219969538928 0.21244682205821 0.62809191002956 15.999 > 3 70 O 0.84219969538928 0.21244682205821 0.62809191002956 15.999 > 3 71 O 0.34219969538928 0.71244682205821 0.62809191002956 15.999 > 3 72 O 0.84219969538928 0.71244682205821 0.62809191002956 15.999 > 3 73 O 0.40780030461072 0.46244682205821 0.12190808997044 15.999 > 4 74 O 0.90780030461072 0.46244682205821 0.12190808997044 15.999 > 4 75 O 0.40780030461072 0.96244682205821 0.12190808997044 15.999 > 4 76 O 0.90780030461072 0.96244682205821 0.12190808997044 15.999 > 4 77 O 0.40780030461072 0.46244682205821 0.62190808997044 15.999 > 4 78 O 0.90780030461072 0.46244682205821 0.62190808997044 15.999 > 4 79 O 0.40780030461072 0.96244682205821 0.62190808997044 15.999 > 4 80 O 0.90780030461072 0.96244682205821 0.62190808997044 15.999 > 4 81 O 0.34219969538928 0.28755317794179 0.37809191002956 15.999 > 5 82 O 0.84219969538928 0.28755317794179 0.37809191002956 15.999 > 5 83 O 0.34219969538928 0.78755317794179 0.37809191002956 15.999 > 5 84 O 0.84219969538928 0.78755317794179 0.37809191002956 15.999 > 5 85 O 0.34219969538928 0.28755317794179 0.87809191002956 15.999 > 5 86 O 0.84219969538928 0.28755317794179 0.87809191002956 15.999 > 5 87 O 0.34219969538928 0.78755317794179 0.87809191002956 15.999 > 5 88 O 0.84219969538928 0.78755317794179 0.87809191002956 15.999 > 5 89 O 0.40780030461072 0.03755317794179 0.37190808997044 15.999 > 6 90 O 0.90780030461072 0.03755317794179 0.37190808997044 15.999 > 6 91 O 0.40780030461072 0.53755317794179 0.37190808997044 15.999 > 6 92 O 0.90780030461072 0.53755317794179 0.37190808997044 15.999 > 6 93 O 0.40780030461072 0.03755317794179 0.87190808997044 15.999 > 6 94 O 0.90780030461072 0.03755317794179 0.87190808997044 15.999 > 6 95 O 0.40780030461072 0.53755317794179 0.87190808997044 15.999 > 6 96 O 0.90780030461072 0.53755317794179 0.87190808997044 15.999 > 6 *97 F 0.00000000000000 0.30613101693797 0.37500000000000 18.998 > 7 98 F 0.50000000000000 0.30613101693797 0.37500000000000 18.998 > 7 99 F 0.00000000000000 0.80613101693797 0.37500000000000 18.998 > 7 100 F 0.50000000000000 0.80613101693797 0.37500000000000 18.998 > 7 101 F 0.00000000000000 0.30613101693797 0.87500000000000 18.998 > 7 102 F 0.50000000000000 0.30613101693797 0.87500000000000 18.998 > 7 103 F 0.00000000000000 0.80613101693797 0.87500000000000 18.998 > 7 104 F 0.50000000000000 0.80613101693797 0.87500000000000 18.998 > 7 105 F 0.00000000000000 0.19386898306203 0.12500000000000 18.998 > 8 106 F 0.50000000000000 0.19386898306203 0.12500000000000 18.998 > 8 107 F 0.00000000000000 0.69386898306203 0.12500000000000 18.998 > 8 108 F 0.50000000000000 0.69386898306203 0.12500000000000 18.998 > 8 109 F 0.00000000000000 0.19386898306203 0.62500000000000 18.998 > 8 110 F 0.50000000000000 0.19386898306203 0.62500000000000 18.998 > 8 111 F 0.00000000000000 0.69386898306203 0.62500000000000 18.998 > 8 112 F 0.50000000000000 0.69386898306203 0.62500000000000 18.998 > 8 113 F 0.25000000000000 0.05613101693797 0.37500000000000 18.998 > 7 114 F 0.75000000000000 0.05613101693797 0.37500000000000 18.998 > 7 115 F 0.25000000000000 0.55613101693797 0.37500000000000 18.998 > 7 116 F 0.75000000000000 0.55613101693797 0.37500000000000 18.998 > 7 117 F 0.25000000000000 0.05613101693797 0.87500000000000 18.998 > 7 118 F 0.75000000000000 0.05613101693797 0.87500000000000 18.998 > 7 119 F 0.25000000000000 0.55613101693797 0.87500000000000 18.998 > 7 120 F 0.75000000000000 0.55613101693797 0.87500000000000 18.998 > 7 121 F 0.25000000000000 0.44386898306203 0.12500000000000 18.998 > 8 122 F 0.75000000000000 0.44386898306203 0.12500000000000 18.998 > 8 123 F 0.25000000000000 0.94386898306203 0.12500000000000 18.998 > 8 124 F 0.75000000000000 0.94386898306203 0.12500000000000 18.998 > 8 125 F 0.25000000000000 0.44386898306203 0.62500000000000 18.998 > 8 126 F 0.75000000000000 0.44386898306203 0.62500000000000 18.998 > 8 127 F 0.25000000000000 0.94386898306203 0.62500000000000 18.998 > 8 128 F 0.75000000000000 0.94386898306203 0.62500000000000 18.998 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8039843 0.0000000 -0.6921024 0.0000000 4.2292351 0.0000000 -0.6920998 0.0000000 4.5615632 -------------------------- Born effective charges -------------------------- 1 Sb 4.4899855 1.2374014 -0.2482102 -1.3142512 5.0269902 0.4519811 -0.1047221 -0.7342121 5.1930243 2 Sb 4.4899855 -1.2374014 -0.2482102 1.3142512 5.0269902 -0.4519811 -0.1047221 0.7342121 5.1930243 3 O -1.2425943 0.3303924 0.5601656 0.3623419 -2.0628116 -0.7224765 0.5235562 -0.7047009 -1.8632339 4 O -1.2425943 -0.3303924 0.5601656 -0.3623419 -2.0628116 0.7224765 0.5235562 0.7047009 -1.8632339 5 O -1.2425943 -0.3303924 0.5601656 -0.3623419 -2.0628116 0.7224765 0.5235562 0.7047009 -1.8632339 6 O -1.2425943 0.3303924 0.5601656 0.3623419 -2.0628116 -0.7224765 0.5235562 -0.7047009 -1.8632339 7 F -2.0047970 0.0000000 -0.8721210 0.0000000 -0.9013670 0.0000000 -0.9423904 0.0000000 -1.4665566 8 F -2.0047970 0.0000000 -0.8721210 0.0000000 -0.9013670 0.0000000 -0.9423904 0.0000000 -1.4665566 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1268 Number of blocks in projector: 1268 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: 264 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 164 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1246), data: False |-- (164, 161), data: True |-- (164, 161), data: True |-- (164, 161), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (264, 259), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.792 Solver_block: 200 / 240 - Time: 1.759 Solver_block: 240 / 240 - Time: 0.768 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.347 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1268 Number of blocks in projector: 1268 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: 264 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 164 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1246), data: False |-- (164, 161), data: True |-- (164, 161), data: True |-- (164, 161), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (264, 259), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) 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 22:57:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:57:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.568012598198193 -2.457040120000000 0.000000000000000 b 4.568012598198193 2.457040120000000 0.000000000000000 c -2.708634813877077 0.000000000000000 4.524639546071724 Atomic positions (fractional): 1 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 2 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 3 O 0.25950574666215 0.10929303489498 0.25618382005912 15.999 4 O 0.89070696510502 0.74049425333785 0.24381617994088 15.999 5 O 0.10929303489498 0.25950574666215 0.75618382005912 15.999 6 O 0.74049425333785 0.89070696510502 0.74381617994088 15.999 7 F 0.38773796612406 0.61226203387594 0.75000000000000 18.998 8 F 0.61226203387594 0.38773796612406 0.25000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.272050392792771 0.000000000000000 0.000000000000000 b 0.000000000000000 9.828160479999999 0.000000000000000 c -5.417269627754154 0.000000000000000 9.049279092143449 Atomic positions (fractional): 1 Sb 0.12500000000000 0.37500000000000 0.00000000000000 121.760 > 1 2 Sb 0.62500000000000 0.37500000000000 0.00000000000000 121.760 > 1 3 Sb 0.12500000000000 0.87500000000000 0.00000000000000 121.760 > 1 4 Sb 0.62500000000000 0.87500000000000 0.00000000000000 121.760 > 1 5 Sb 0.12500000000000 0.37500000000000 0.50000000000000 121.760 > 1 6 Sb 0.62500000000000 0.37500000000000 0.50000000000000 121.760 > 1 7 Sb 0.12500000000000 0.87500000000000 0.50000000000000 121.760 > 1 8 Sb 0.62500000000000 0.87500000000000 0.50000000000000 121.760 > 1 9 Sb 0.12500000000000 0.12500000000000 0.25000000000000 121.760 > 9 10 Sb 0.62500000000000 0.12500000000000 0.25000000000000 121.760 > 9 11 Sb 0.12500000000000 0.62500000000000 0.25000000000000 121.760 > 9 12 Sb 0.62500000000000 0.62500000000000 0.25000000000000 121.760 > 9 13 Sb 0.12500000000000 0.12500000000000 0.75000000000000 121.760 > 9 14 Sb 0.62500000000000 0.12500000000000 0.75000000000000 121.760 > 9 15 Sb 0.12500000000000 0.62500000000000 0.75000000000000 121.760 > 9 16 Sb 0.62500000000000 0.62500000000000 0.75000000000000 121.760 > 9 17 Sb 0.37500000000000 0.12500000000000 0.00000000000000 121.760 > 1 18 Sb 0.87500000000000 0.12500000000000 0.00000000000000 121.760 > 1 19 Sb 0.37500000000000 0.62500000000000 0.00000000000000 121.760 > 1 20 Sb 0.87500000000000 0.62500000000000 0.00000000000000 121.760 > 1 21 Sb 0.37500000000000 0.12500000000000 0.50000000000000 121.760 > 1 22 Sb 0.87500000000000 0.12500000000000 0.50000000000000 121.760 > 1 23 Sb 0.37500000000000 0.62500000000000 0.50000000000000 121.760 > 1 24 Sb 0.87500000000000 0.62500000000000 0.50000000000000 121.760 > 1 25 Sb 0.37500000000000 0.37500000000000 0.25000000000000 121.760 > 9 26 Sb 0.87500000000000 0.37500000000000 0.25000000000000 121.760 > 9 27 Sb 0.37500000000000 0.87500000000000 0.25000000000000 121.760 > 9 28 Sb 0.87500000000000 0.87500000000000 0.25000000000000 121.760 > 9 29 Sb 0.37500000000000 0.37500000000000 0.75000000000000 121.760 > 9 30 Sb 0.87500000000000 0.37500000000000 0.75000000000000 121.760 > 9 31 Sb 0.37500000000000 0.87500000000000 0.75000000000000 121.760 > 9 32 Sb 0.87500000000000 0.87500000000000 0.75000000000000 121.760 > 9 33 O 0.09219969538928 0.46244682205821 0.12809191002956 15.999 > 33 34 O 0.59219969538928 0.46244682205821 0.12809191002956 15.999 > 33 35 O 0.09219969538928 0.96244682205821 0.12809191002956 15.999 > 33 36 O 0.59219969538928 0.96244682205821 0.12809191002956 15.999 > 33 37 O 0.09219969538928 0.46244682205821 0.62809191002956 15.999 > 33 38 O 0.59219969538928 0.46244682205821 0.62809191002956 15.999 > 33 39 O 0.09219969538928 0.96244682205821 0.62809191002956 15.999 > 33 40 O 0.59219969538928 0.96244682205821 0.62809191002956 15.999 > 33 41 O 0.15780030461072 0.21244682205821 0.12190808997044 15.999 > 41 42 O 0.65780030461072 0.21244682205821 0.12190808997044 15.999 > 41 43 O 0.15780030461072 0.71244682205821 0.12190808997044 15.999 > 41 44 O 0.65780030461072 0.71244682205821 0.12190808997044 15.999 > 41 45 O 0.15780030461072 0.21244682205821 0.62190808997044 15.999 > 41 46 O 0.65780030461072 0.21244682205821 0.62190808997044 15.999 > 41 47 O 0.15780030461072 0.71244682205821 0.62190808997044 15.999 > 41 48 O 0.65780030461072 0.71244682205821 0.62190808997044 15.999 > 41 49 O 0.09219969538928 0.03755317794179 0.37809191002956 15.999 > 49 50 O 0.59219969538928 0.03755317794179 0.37809191002956 15.999 > 49 51 O 0.09219969538928 0.53755317794179 0.37809191002956 15.999 > 49 52 O 0.59219969538928 0.53755317794179 0.37809191002956 15.999 > 49 53 O 0.09219969538928 0.03755317794179 0.87809191002956 15.999 > 49 54 O 0.59219969538928 0.03755317794179 0.87809191002956 15.999 > 49 55 O 0.09219969538928 0.53755317794179 0.87809191002956 15.999 > 49 56 O 0.59219969538928 0.53755317794179 0.87809191002956 15.999 > 49 57 O 0.15780030461072 0.28755317794179 0.37190808997044 15.999 > 57 58 O 0.65780030461072 0.28755317794179 0.37190808997044 15.999 > 57 59 O 0.15780030461072 0.78755317794179 0.37190808997044 15.999 > 57 60 O 0.65780030461072 0.78755317794179 0.37190808997044 15.999 > 57 61 O 0.15780030461072 0.28755317794179 0.87190808997044 15.999 > 57 62 O 0.65780030461072 0.28755317794179 0.87190808997044 15.999 > 57 63 O 0.15780030461072 0.78755317794179 0.87190808997044 15.999 > 57 64 O 0.65780030461072 0.78755317794179 0.87190808997044 15.999 > 57 65 O 0.34219969538928 0.21244682205821 0.12809191002956 15.999 > 33 66 O 0.84219969538928 0.21244682205821 0.12809191002956 15.999 > 33 67 O 0.34219969538928 0.71244682205821 0.12809191002956 15.999 > 33 68 O 0.84219969538928 0.71244682205821 0.12809191002956 15.999 > 33 69 O 0.34219969538928 0.21244682205821 0.62809191002956 15.999 > 33 70 O 0.84219969538928 0.21244682205821 0.62809191002956 15.999 > 33 71 O 0.34219969538928 0.71244682205821 0.62809191002956 15.999 > 33 72 O 0.84219969538928 0.71244682205821 0.62809191002956 15.999 > 33 73 O 0.40780030461072 0.46244682205821 0.12190808997044 15.999 > 41 74 O 0.90780030461072 0.46244682205821 0.12190808997044 15.999 > 41 75 O 0.40780030461072 0.96244682205821 0.12190808997044 15.999 > 41 76 O 0.90780030461072 0.96244682205821 0.12190808997044 15.999 > 41 77 O 0.40780030461072 0.46244682205821 0.62190808997044 15.999 > 41 78 O 0.90780030461072 0.46244682205821 0.62190808997044 15.999 > 41 79 O 0.40780030461072 0.96244682205821 0.62190808997044 15.999 > 41 80 O 0.90780030461072 0.96244682205821 0.62190808997044 15.999 > 41 81 O 0.34219969538928 0.28755317794179 0.37809191002956 15.999 > 49 82 O 0.84219969538928 0.28755317794179 0.37809191002956 15.999 > 49 83 O 0.34219969538928 0.78755317794179 0.37809191002956 15.999 > 49 84 O 0.84219969538928 0.78755317794179 0.37809191002956 15.999 > 49 85 O 0.34219969538928 0.28755317794179 0.87809191002956 15.999 > 49 86 O 0.84219969538928 0.28755317794179 0.87809191002956 15.999 > 49 87 O 0.34219969538928 0.78755317794179 0.87809191002956 15.999 > 49 88 O 0.84219969538928 0.78755317794179 0.87809191002956 15.999 > 49 89 O 0.40780030461072 0.03755317794179 0.37190808997044 15.999 > 57 90 O 0.90780030461072 0.03755317794179 0.37190808997044 15.999 > 57 91 O 0.40780030461072 0.53755317794179 0.37190808997044 15.999 > 57 92 O 0.90780030461072 0.53755317794179 0.37190808997044 15.999 > 57 93 O 0.40780030461072 0.03755317794179 0.87190808997044 15.999 > 57 94 O 0.90780030461072 0.03755317794179 0.87190808997044 15.999 > 57 95 O 0.40780030461072 0.53755317794179 0.87190808997044 15.999 > 57 96 O 0.90780030461072 0.53755317794179 0.87190808997044 15.999 > 57 97 F 0.00000000000000 0.30613101693797 0.37500000000000 18.998 > 97 98 F 0.50000000000000 0.30613101693797 0.37500000000000 18.998 > 97 99 F 0.00000000000000 0.80613101693797 0.37500000000000 18.998 > 97 100 F 0.50000000000000 0.80613101693797 0.37500000000000 18.998 > 97 101 F 0.00000000000000 0.30613101693797 0.87500000000000 18.998 > 97 102 F 0.50000000000000 0.30613101693797 0.87500000000000 18.998 > 97 103 F 0.00000000000000 0.80613101693797 0.87500000000000 18.998 > 97 104 F 0.50000000000000 0.80613101693797 0.87500000000000 18.998 > 97 105 F 0.00000000000000 0.19386898306203 0.12500000000000 18.998 > 105 106 F 0.50000000000000 0.19386898306203 0.12500000000000 18.998 > 105 107 F 0.00000000000000 0.69386898306203 0.12500000000000 18.998 > 105 108 F 0.50000000000000 0.69386898306203 0.12500000000000 18.998 > 105 109 F 0.00000000000000 0.19386898306203 0.62500000000000 18.998 > 105 110 F 0.50000000000000 0.19386898306203 0.62500000000000 18.998 > 105 111 F 0.00000000000000 0.69386898306203 0.62500000000000 18.998 > 105 112 F 0.50000000000000 0.69386898306203 0.62500000000000 18.998 > 105 113 F 0.25000000000000 0.05613101693797 0.37500000000000 18.998 > 97 114 F 0.75000000000000 0.05613101693797 0.37500000000000 18.998 > 97 115 F 0.25000000000000 0.55613101693797 0.37500000000000 18.998 > 97 116 F 0.75000000000000 0.55613101693797 0.37500000000000 18.998 > 97 117 F 0.25000000000000 0.05613101693797 0.87500000000000 18.998 > 97 118 F 0.75000000000000 0.05613101693797 0.87500000000000 18.998 > 97 119 F 0.25000000000000 0.55613101693797 0.87500000000000 18.998 > 97 120 F 0.75000000000000 0.55613101693797 0.87500000000000 18.998 > 97 121 F 0.25000000000000 0.44386898306203 0.12500000000000 18.998 > 105 122 F 0.75000000000000 0.44386898306203 0.12500000000000 18.998 > 105 123 F 0.25000000000000 0.94386898306203 0.12500000000000 18.998 > 105 124 F 0.75000000000000 0.94386898306203 0.12500000000000 18.998 > 105 125 F 0.25000000000000 0.44386898306203 0.62500000000000 18.998 > 105 126 F 0.75000000000000 0.44386898306203 0.62500000000000 18.998 > 105 127 F 0.25000000000000 0.94386898306203 0.62500000000000 18.998 > 105 128 F 0.75000000000000 0.94386898306203 0.62500000000000 18.998 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8039843 0.0000000 -0.6921024 0.0000000 4.2292351 0.0000000 -0.6920998 0.0000000 4.5615632 -------------------------- Born effective charges -------------------------- 1 Sb 4.4899855 1.2374014 -0.2482102 -1.3142512 5.0269902 0.4519811 -0.1047221 -0.7342121 5.1930243 2 Sb 4.4899855 -1.2374014 -0.2482102 1.3142512 5.0269902 -0.4519811 -0.1047221 0.7342121 5.1930243 3 O -1.2425943 0.3303924 0.5601656 0.3623419 -2.0628116 -0.7224765 0.5235562 -0.7047009 -1.8632339 4 O -1.2425943 -0.3303924 0.5601656 -0.3623419 -2.0628116 0.7224765 0.5235562 0.7047009 -1.8632339 5 O -1.2425943 -0.3303924 0.5601656 -0.3623419 -2.0628116 0.7224765 0.5235562 0.7047009 -1.8632339 6 O -1.2425943 0.3303924 0.5601656 0.3623419 -2.0628116 -0.7224765 0.5235562 -0.7047009 -1.8632339 7 F -2.0047970 0.0000000 -0.8721210 0.0000000 -0.9013670 0.0000000 -0.9423904 0.0000000 -1.4665566 8 F -2.0047970 0.0000000 -0.8721210 0.0000000 -0.9013670 0.0000000 -0.9423904 0.0000000 -1.4665566 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 33, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000019 (yz) 0.00000019 (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 22:57:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:57:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.568012598198193 -2.457040120000000 0.000000000000000 b 4.568012598198193 2.457040120000000 0.000000000000000 c -2.708634813877077 0.000000000000000 4.524639546071724 Atomic positions (fractional): 1 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 2 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 3 O 0.25950574666215 0.10929303489498 0.25618382005912 15.999 4 O 0.89070696510502 0.74049425333785 0.24381617994088 15.999 5 O 0.10929303489498 0.25950574666215 0.75618382005912 15.999 6 O 0.74049425333785 0.89070696510502 0.74381617994088 15.999 7 F 0.38773796612406 0.61226203387594 0.75000000000000 18.998 8 F 0.61226203387594 0.38773796612406 0.25000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.272050392792771 0.000000000000000 0.000000000000000 b 0.000000000000000 9.828160479999999 0.000000000000000 c -5.417269627754154 0.000000000000000 9.049279092143449 Atomic positions (fractional): 1 Sb 0.12500000000000 0.37500000000000 0.00000000000000 121.760 > 1 2 Sb 0.62500000000000 0.37500000000000 0.00000000000000 121.760 > 1 3 Sb 0.12500000000000 0.87500000000000 0.00000000000000 121.760 > 1 4 Sb 0.62500000000000 0.87500000000000 0.00000000000000 121.760 > 1 5 Sb 0.12500000000000 0.37500000000000 0.50000000000000 121.760 > 1 6 Sb 0.62500000000000 0.37500000000000 0.50000000000000 121.760 > 1 7 Sb 0.12500000000000 0.87500000000000 0.50000000000000 121.760 > 1 8 Sb 0.62500000000000 0.87500000000000 0.50000000000000 121.760 > 1 9 Sb 0.12500000000000 0.12500000000000 0.25000000000000 121.760 > 9 10 Sb 0.62500000000000 0.12500000000000 0.25000000000000 121.760 > 9 11 Sb 0.12500000000000 0.62500000000000 0.25000000000000 121.760 > 9 12 Sb 0.62500000000000 0.62500000000000 0.25000000000000 121.760 > 9 13 Sb 0.12500000000000 0.12500000000000 0.75000000000000 121.760 > 9 14 Sb 0.62500000000000 0.12500000000000 0.75000000000000 121.760 > 9 15 Sb 0.12500000000000 0.62500000000000 0.75000000000000 121.760 > 9 16 Sb 0.62500000000000 0.62500000000000 0.75000000000000 121.760 > 9 17 Sb 0.37500000000000 0.12500000000000 0.00000000000000 121.760 > 1 18 Sb 0.87500000000000 0.12500000000000 0.00000000000000 121.760 > 1 19 Sb 0.37500000000000 0.62500000000000 0.00000000000000 121.760 > 1 20 Sb 0.87500000000000 0.62500000000000 0.00000000000000 121.760 > 1 21 Sb 0.37500000000000 0.12500000000000 0.50000000000000 121.760 > 1 22 Sb 0.87500000000000 0.12500000000000 0.50000000000000 121.760 > 1 23 Sb 0.37500000000000 0.62500000000000 0.50000000000000 121.760 > 1 24 Sb 0.87500000000000 0.62500000000000 0.50000000000000 121.760 > 1 25 Sb 0.37500000000000 0.37500000000000 0.25000000000000 121.760 > 9 26 Sb 0.87500000000000 0.37500000000000 0.25000000000000 121.760 > 9 27 Sb 0.37500000000000 0.87500000000000 0.25000000000000 121.760 > 9 28 Sb 0.87500000000000 0.87500000000000 0.25000000000000 121.760 > 9 29 Sb 0.37500000000000 0.37500000000000 0.75000000000000 121.760 > 9 30 Sb 0.87500000000000 0.37500000000000 0.75000000000000 121.760 > 9 31 Sb 0.37500000000000 0.87500000000000 0.75000000000000 121.760 > 9 32 Sb 0.87500000000000 0.87500000000000 0.75000000000000 121.760 > 9 33 O 0.09219969538928 0.46244682205821 0.12809191002956 15.999 > 33 34 O 0.59219969538928 0.46244682205821 0.12809191002956 15.999 > 33 35 O 0.09219969538928 0.96244682205821 0.12809191002956 15.999 > 33 36 O 0.59219969538928 0.96244682205821 0.12809191002956 15.999 > 33 37 O 0.09219969538928 0.46244682205821 0.62809191002956 15.999 > 33 38 O 0.59219969538928 0.46244682205821 0.62809191002956 15.999 > 33 39 O 0.09219969538928 0.96244682205821 0.62809191002956 15.999 > 33 40 O 0.59219969538928 0.96244682205821 0.62809191002956 15.999 > 33 41 O 0.15780030461072 0.21244682205821 0.12190808997044 15.999 > 41 42 O 0.65780030461072 0.21244682205821 0.12190808997044 15.999 > 41 43 O 0.15780030461072 0.71244682205821 0.12190808997044 15.999 > 41 44 O 0.65780030461072 0.71244682205821 0.12190808997044 15.999 > 41 45 O 0.15780030461072 0.21244682205821 0.62190808997044 15.999 > 41 46 O 0.65780030461072 0.21244682205821 0.62190808997044 15.999 > 41 47 O 0.15780030461072 0.71244682205821 0.62190808997044 15.999 > 41 48 O 0.65780030461072 0.71244682205821 0.62190808997044 15.999 > 41 49 O 0.09219969538928 0.03755317794179 0.37809191002956 15.999 > 49 50 O 0.59219969538928 0.03755317794179 0.37809191002956 15.999 > 49 51 O 0.09219969538928 0.53755317794179 0.37809191002956 15.999 > 49 52 O 0.59219969538928 0.53755317794179 0.37809191002956 15.999 > 49 53 O 0.09219969538928 0.03755317794179 0.87809191002956 15.999 > 49 54 O 0.59219969538928 0.03755317794179 0.87809191002956 15.999 > 49 55 O 0.09219969538928 0.53755317794179 0.87809191002956 15.999 > 49 56 O 0.59219969538928 0.53755317794179 0.87809191002956 15.999 > 49 57 O 0.15780030461072 0.28755317794179 0.37190808997044 15.999 > 57 58 O 0.65780030461072 0.28755317794179 0.37190808997044 15.999 > 57 59 O 0.15780030461072 0.78755317794179 0.37190808997044 15.999 > 57 60 O 0.65780030461072 0.78755317794179 0.37190808997044 15.999 > 57 61 O 0.15780030461072 0.28755317794179 0.87190808997044 15.999 > 57 62 O 0.65780030461072 0.28755317794179 0.87190808997044 15.999 > 57 63 O 0.15780030461072 0.78755317794179 0.87190808997044 15.999 > 57 64 O 0.65780030461072 0.78755317794179 0.87190808997044 15.999 > 57 65 O 0.34219969538928 0.21244682205821 0.12809191002956 15.999 > 33 66 O 0.84219969538928 0.21244682205821 0.12809191002956 15.999 > 33 67 O 0.34219969538928 0.71244682205821 0.12809191002956 15.999 > 33 68 O 0.84219969538928 0.71244682205821 0.12809191002956 15.999 > 33 69 O 0.34219969538928 0.21244682205821 0.62809191002956 15.999 > 33 70 O 0.84219969538928 0.21244682205821 0.62809191002956 15.999 > 33 71 O 0.34219969538928 0.71244682205821 0.62809191002956 15.999 > 33 72 O 0.84219969538928 0.71244682205821 0.62809191002956 15.999 > 33 73 O 0.40780030461072 0.46244682205821 0.12190808997044 15.999 > 41 74 O 0.90780030461072 0.46244682205821 0.12190808997044 15.999 > 41 75 O 0.40780030461072 0.96244682205821 0.12190808997044 15.999 > 41 76 O 0.90780030461072 0.96244682205821 0.12190808997044 15.999 > 41 77 O 0.40780030461072 0.46244682205821 0.62190808997044 15.999 > 41 78 O 0.90780030461072 0.46244682205821 0.62190808997044 15.999 > 41 79 O 0.40780030461072 0.96244682205821 0.62190808997044 15.999 > 41 80 O 0.90780030461072 0.96244682205821 0.62190808997044 15.999 > 41 81 O 0.34219969538928 0.28755317794179 0.37809191002956 15.999 > 49 82 O 0.84219969538928 0.28755317794179 0.37809191002956 15.999 > 49 83 O 0.34219969538928 0.78755317794179 0.37809191002956 15.999 > 49 84 O 0.84219969538928 0.78755317794179 0.37809191002956 15.999 > 49 85 O 0.34219969538928 0.28755317794179 0.87809191002956 15.999 > 49 86 O 0.84219969538928 0.28755317794179 0.87809191002956 15.999 > 49 87 O 0.34219969538928 0.78755317794179 0.87809191002956 15.999 > 49 88 O 0.84219969538928 0.78755317794179 0.87809191002956 15.999 > 49 89 O 0.40780030461072 0.03755317794179 0.37190808997044 15.999 > 57 90 O 0.90780030461072 0.03755317794179 0.37190808997044 15.999 > 57 91 O 0.40780030461072 0.53755317794179 0.37190808997044 15.999 > 57 92 O 0.90780030461072 0.53755317794179 0.37190808997044 15.999 > 57 93 O 0.40780030461072 0.03755317794179 0.87190808997044 15.999 > 57 94 O 0.90780030461072 0.03755317794179 0.87190808997044 15.999 > 57 95 O 0.40780030461072 0.53755317794179 0.87190808997044 15.999 > 57 96 O 0.90780030461072 0.53755317794179 0.87190808997044 15.999 > 57 97 F 0.00000000000000 0.30613101693797 0.37500000000000 18.998 > 97 98 F 0.50000000000000 0.30613101693797 0.37500000000000 18.998 > 97 99 F 0.00000000000000 0.80613101693797 0.37500000000000 18.998 > 97 100 F 0.50000000000000 0.80613101693797 0.37500000000000 18.998 > 97 101 F 0.00000000000000 0.30613101693797 0.87500000000000 18.998 > 97 102 F 0.50000000000000 0.30613101693797 0.87500000000000 18.998 > 97 103 F 0.00000000000000 0.80613101693797 0.87500000000000 18.998 > 97 104 F 0.50000000000000 0.80613101693797 0.87500000000000 18.998 > 97 105 F 0.00000000000000 0.19386898306203 0.12500000000000 18.998 > 105 106 F 0.50000000000000 0.19386898306203 0.12500000000000 18.998 > 105 107 F 0.00000000000000 0.69386898306203 0.12500000000000 18.998 > 105 108 F 0.50000000000000 0.69386898306203 0.12500000000000 18.998 > 105 109 F 0.00000000000000 0.19386898306203 0.62500000000000 18.998 > 105 110 F 0.50000000000000 0.19386898306203 0.62500000000000 18.998 > 105 111 F 0.00000000000000 0.69386898306203 0.62500000000000 18.998 > 105 112 F 0.50000000000000 0.69386898306203 0.62500000000000 18.998 > 105 113 F 0.25000000000000 0.05613101693797 0.37500000000000 18.998 > 97 114 F 0.75000000000000 0.05613101693797 0.37500000000000 18.998 > 97 115 F 0.25000000000000 0.55613101693797 0.37500000000000 18.998 > 97 116 F 0.75000000000000 0.55613101693797 0.37500000000000 18.998 > 97 117 F 0.25000000000000 0.05613101693797 0.87500000000000 18.998 > 97 118 F 0.75000000000000 0.05613101693797 0.87500000000000 18.998 > 97 119 F 0.25000000000000 0.55613101693797 0.87500000000000 18.998 > 97 120 F 0.75000000000000 0.55613101693797 0.87500000000000 18.998 > 97 121 F 0.25000000000000 0.44386898306203 0.12500000000000 18.998 > 105 122 F 0.75000000000000 0.44386898306203 0.12500000000000 18.998 > 105 123 F 0.25000000000000 0.94386898306203 0.12500000000000 18.998 > 105 124 F 0.75000000000000 0.94386898306203 0.12500000000000 18.998 > 105 125 F 0.25000000000000 0.44386898306203 0.62500000000000 18.998 > 105 126 F 0.75000000000000 0.44386898306203 0.62500000000000 18.998 > 105 127 F 0.25000000000000 0.94386898306203 0.62500000000000 18.998 > 105 128 F 0.75000000000000 0.94386898306203 0.62500000000000 18.998 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8039843 0.0000000 -0.6921024 0.0000000 4.2292351 0.0000000 -0.6920998 0.0000000 4.5615632 -------------------------- Born effective charges -------------------------- 1 Sb 4.4899855 1.2374014 -0.2482102 -1.3142512 5.0269902 0.4519811 -0.1047221 -0.7342121 5.1930243 2 Sb 4.4899855 -1.2374014 -0.2482102 1.3142512 5.0269902 -0.4519811 -0.1047221 0.7342121 5.1930243 3 O -1.2425943 0.3303924 0.5601656 0.3623419 -2.0628116 -0.7224765 0.5235562 -0.7047009 -1.8632339 4 O -1.2425943 -0.3303924 0.5601656 -0.3623419 -2.0628116 0.7224765 0.5235562 0.7047009 -1.8632339 5 O -1.2425943 -0.3303924 0.5601656 -0.3623419 -2.0628116 0.7224765 0.5235562 0.7047009 -1.8632339 6 O -1.2425943 0.3303924 0.5601656 0.3623419 -2.0628116 -0.7224765 0.5235562 -0.7047009 -1.8632339 7 F -2.0047970 0.0000000 -0.8721210 0.0000000 -0.9013670 0.0000000 -0.9423904 0.0000000 -1.4665566 8 F -2.0047970 0.0000000 -0.8721210 0.0000000 -0.9013670 0.0000000 -0.9423904 0.0000000 -1.4665566 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- 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 ... [ 12 12 11 ] 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: 0.89, Number of G-points: 305, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/433) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 7.336 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 11.584 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 12.854 ( 0.000 0.000 0.000) 0.000 13.638 ( 0.000 0.000 0.000) 0.000 13.667 ( 0.000 0.000 0.000) 0.000 18.437 ( 0.000 0.000 0.000) 0.000 23.294 ( 0.000 0.000 0.000) 0.000 23.427 ( 0.000 0.000 0.000) 0.000 24.699 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/433) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 37.167 -11.571 33.993) 51.679 0.832 ( 14.380 -44.318 -10.335) 47.725 0.952 ( -1.871 -51.156 16.022) 53.639 4.659 ( -11.653 -10.847 -7.844) 17.748 5.134 ( 5.388 13.272 -3.315) 14.703 5.607 ( 7.196 -7.227 5.933) 11.799 5.818 ( 10.505 14.811 22.698) 29.067 5.985 ( -0.727 5.667 -0.568) 5.742 6.808 ( 16.471 10.076 28.112) 34.104 7.311 ( 0.133 2.428 -1.990) 3.142 8.093 ( -13.077 3.252 0.508) 13.485 8.628 ( 2.507 -3.391 0.009) 4.217 9.370 ( -1.483 3.210 -3.618) 5.059 9.735 ( -35.016 -22.536 -12.911) 43.597 10.945 ( -2.456 -10.372 -0.197) 10.661 11.897 ( 4.978 5.520 2.503) 7.844 12.226 ( 53.697 39.389 28.090) 72.277 13.579 ( 13.069 3.726 -19.741) 23.966 13.655 ( 0.725 1.711 -0.344) 1.890 13.961 ( 42.300 43.204 56.717) 82.902 18.552 ( -0.022 -13.370 0.252) 13.373 23.241 ( -0.177 6.310 0.250) 6.317 24.714 ( 0.279 -1.678 -0.068) 1.702 25.523 ( -64.295 -43.820 -34.865) 85.262 ======================= Grid point 2 (3/433) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 36.239 -10.808 30.713) 48.717 1.647 ( 13.465 -43.201 -9.772) 46.294 1.862 ( -2.171 -47.722 15.792) 50.314 4.713 ( -4.691 -6.985 -0.440) 8.426 4.968 ( 5.119 10.463 -1.036) 11.694 5.661 ( 1.337 9.683 10.847) 14.601 5.759 ( -6.899 6.677 6.367) 11.521 6.034 ( 8.136 -10.671 -1.341) 13.486 6.942 ( 13.109 4.282 8.747) 16.331 7.238 ( -1.849 3.253 -0.916) 3.852 7.935 ( -7.650 3.474 2.673) 8.817 8.689 ( 1.768 -1.268 -0.780) 2.311 9.242 ( -2.902 6.061 -6.742) 9.519 9.711 ( -17.612 -9.184 -7.625) 21.276 11.151 ( -4.439 -17.088 -0.619) 17.666 11.859 ( 7.944 7.969 5.619) 12.577 12.191 ( 17.873 16.093 12.264) 26.998 13.500 ( 8.081 7.211 -10.225) 14.895 13.622 ( 1.385 3.055 -0.256) 3.364 13.908 ( 18.630 22.475 26.444) 39.389 18.883 ( -0.050 -25.060 0.553) 25.066 23.079 ( -0.103 12.754 0.071) 12.755 24.759 ( 0.773 -2.906 0.094) 3.009 25.472 ( -31.550 -18.718 -17.534) 40.659 ======================= Grid point 3 (4/433) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 32.905 -9.507 25.049) 42.433 2.429 ( 11.882 -40.373 -6.925) 42.651 2.689 ( -1.452 -41.987 13.350) 44.082 4.787 ( -1.022 -1.938 2.777) 3.537 4.876 ( 5.058 4.354 1.519) 6.845 5.534 ( -3.880 6.421 1.508) 7.653 5.593 ( -7.323 8.571 5.707) 12.635 6.304 ( 6.917 -8.369 5.779) 12.300 6.899 ( 6.546 8.813 -11.760) 16.088 7.252 ( 2.403 -2.186 8.835) 9.413 7.896 ( -3.152 -1.599 6.398) 7.310 8.693 ( 0.287 1.260 -0.637) 1.441 9.048 ( -3.891 7.736 -8.973) 12.470 9.633 ( -12.472 -2.458 -7.235) 14.627 11.392 ( -4.470 -14.787 -0.952) 15.477 11.866 ( 7.854 2.866 8.393) 11.847 12.144 ( 5.221 7.303 5.013) 10.283 13.370 ( 6.841 10.590 -7.017) 14.429 13.577 ( 1.662 3.942 0.679) 4.331 13.833 ( 10.027 14.802 14.580) 23.070 19.390 ( -0.118 -33.700 0.932) 33.713 22.806 ( 0.172 19.349 -0.450) 19.355 24.825 ( 1.592 -3.329 0.619) 3.742 25.393 ( -20.479 -9.337 -11.564) 25.304 ======================= Grid point 4 (5/433) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 26.129 -7.396 17.805) 32.473 3.139 ( 7.443 -34.276 0.309) 35.076 3.393 ( 2.761 -34.366 4.726) 34.799 4.759 ( 2.470 5.066 2.619) 6.215 4.935 ( 1.064 -2.617 3.634) 4.602 5.386 ( -8.437 12.481 10.018) 18.092 5.432 ( -3.623 -0.818 -5.641) 6.754 6.358 ( 1.972 11.659 0.812) 11.852 6.855 ( 6.897 -6.528 -6.192) 11.337 7.383 ( 4.436 -3.388 6.426) 8.511 7.970 ( -1.356 -4.025 6.042) 7.385 8.650 ( -0.777 3.588 1.461) 3.951 8.837 ( -3.418 6.206 -9.077) 11.515 9.490 ( -9.951 2.084 -7.887) 12.867 11.520 ( -0.327 -3.364 1.184) 3.582 12.003 ( 4.910 -2.701 6.232) 8.381 12.121 ( -2.574 -5.047 1.623) 5.893 13.191 ( 6.321 13.598 -5.409) 15.941 13.529 ( 1.437 4.058 1.856) 4.688 13.756 ( 5.437 9.321 7.164) 12.952 20.012 ( -0.271 -38.482 1.358) 38.507 22.421 ( 0.522 25.919 -1.126) 25.948 24.904 ( 2.750 -2.829 1.489) 4.217 25.294 ( -14.498 -4.428 -8.257) 17.262 ======================= Grid point 5 (6/433) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 15.151 -4.205 9.501) 18.371 3.676 ( -0.397 -20.253 8.908) 22.129 3.963 ( 10.407 -27.510 -9.314) 30.852 4.705 ( 1.198 6.407 4.273) 7.794 4.962 ( -0.650 -0.415 -3.770) 3.848 5.127 ( -11.405 12.908 11.312) 20.607 5.477 ( 1.333 -7.175 0.734) 7.335 6.088 ( 0.065 15.539 -7.162) 17.111 7.072 ( 6.049 -8.937 5.635) 12.175 7.480 ( 2.761 -1.160 -0.475) 3.032 8.022 ( -2.480 -1.154 1.010) 2.916 8.605 ( 0.582 2.228 4.773) 5.299 8.706 ( -1.610 1.963 -5.114) 5.710 9.315 ( -6.803 3.705 -7.049) 10.473 11.555 ( 1.354 0.131 2.002) 2.420 12.003 ( 0.390 2.591 0.024) 2.620 12.348 ( -3.594 -17.184 4.065) 18.020 12.970 ( 5.573 15.374 -4.347) 16.921 13.490 ( 0.818 2.735 1.771) 3.359 13.701 ( 2.441 4.408 2.528) 5.637 20.682 ( -0.499 -39.311 1.719) 39.352 21.927 ( 0.733 31.997 -1.661) 32.049 24.984 ( 3.993 -1.621 2.408) 4.936 25.195 ( -9.794 -1.678 -5.686) 11.448 ======================= Grid point 6 (7/433) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 0.000 -0.000 0.000) 0.000 3.873 ( -0.000 -0.000 0.000) 0.000 4.318 ( 0.000 -0.000 -0.000) 0.000 4.602 ( -0.000 0.000 0.000) 0.000 4.934 ( -0.000 0.000 0.000) 0.000 4.976 ( 0.000 -0.000 -0.000) 0.000 5.613 ( 0.000 -0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 -0.000 0.000) 0.000 8.010 ( 0.000 -0.000 0.000) 0.000 8.618 ( 0.000 -0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 9.218 ( -0.000 -0.000 0.000) 0.000 11.566 ( 0.000 0.000 0.000) 0.000 11.979 ( 0.000 -0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 12.790 ( -0.000 -0.000 0.000) 0.000 13.475 ( -0.000 -0.000 0.000) 0.000 13.681 ( 0.000 -0.000 0.000) 0.000 21.313 ( 0.000 -0.000 0.000) 0.000 21.360 ( 0.000 -0.000 0.000) 0.000 25.038 ( -0.000 -0.000 -0.000) 0.000 25.134 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/433) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 12.682 0.000 22.220) 25.584 0.506 ( 25.207 0.000 3.330) 25.426 1.243 ( 42.890 0.000 38.871) 57.884 4.485 ( -0.587 -0.000 3.163) 3.217 5.405 ( 3.446 0.000 -7.788) 8.517 5.421 ( 7.278 0.000 3.443) 8.051 6.022 ( -7.987 -0.000 -5.795) 9.868 6.026 ( -4.541 -0.000 3.410) 5.679 7.321 ( -2.307 -0.000 0.948) 2.495 7.694 ( -20.467 -0.000 41.782) 46.526 7.765 ( -1.810 -0.000 1.082) 2.108 8.665 ( 8.267 0.000 3.770) 9.086 9.096 ( -8.154 -0.000 -9.033) 12.169 9.364 ( -3.934 -0.000 -2.649) 4.743 10.832 ( -3.614 -0.000 -0.002) 3.614 11.904 ( -1.202 -0.000 -0.295) 1.238 12.865 ( 0.501 0.000 1.099) 1.208 13.632 ( 7.714 0.000 -8.184) 11.246 13.675 ( 1.022 0.000 -0.265) 1.056 16.509 ( -16.813 -0.000 17.375) 24.178 18.439 ( 0.136 0.000 0.233) 0.269 23.294 ( -2.380 -0.000 3.865) 4.539 23.421 ( -0.611 -0.000 -0.038) 0.613 24.718 ( 1.481 0.000 0.837) 1.701 ======================= Grid point 15 (9/433) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 28.234 -34.165 -18.400) 47.989 1.174 ( -3.132 -41.236 32.270) 52.455 1.861 ( 39.831 -3.531 34.974) 53.124 4.567 ( -0.842 -6.351 3.805) 7.451 5.210 ( 5.951 12.570 -2.899) 14.206 5.664 ( -3.983 -5.044 6.127) 8.880 5.865 ( -3.739 0.504 -11.360) 11.970 5.977 ( -3.291 1.622 7.369) 8.232 7.264 ( 0.309 4.511 -7.391) 8.664 7.398 ( 7.405 19.319 26.254) 33.427 7.882 ( -10.669 -2.104 4.779) 11.878 8.713 ( 5.300 2.222 -0.190) 5.750 9.171 ( -9.058 -9.260 -11.856) 17.560 9.328 ( -8.426 -7.698 -0.968) 11.454 10.873 ( -5.336 -9.479 -0.068) 10.878 11.893 ( -1.599 -0.573 -0.508) 1.773 12.751 ( 5.370 15.050 5.097) 16.773 13.626 ( 6.103 4.200 -4.242) 8.537 13.675 ( 2.190 1.445 -0.636) 2.700 15.314 ( 26.533 86.916 29.189) 95.448 18.557 ( 0.063 -13.374 0.572) 13.386 23.240 ( -0.468 6.316 0.642) 6.366 24.252 ( -31.061 -62.008 -16.937) 71.391 24.768 ( 1.020 -4.282 1.063) 4.528 ======================= Grid point 16 (10/433) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 21.550 -38.101 -15.347) 46.386 2.030 ( -3.391 -43.215 25.691) 50.389 2.447 ( 35.192 -4.168 28.692) 45.597 4.702 ( 0.044 -6.769 4.143) 7.936 5.070 ( 6.685 9.415 -0.786) 11.574 5.502 ( -15.259 5.513 -2.811) 16.466 5.753 ( -6.866 7.892 6.215) 12.167 6.182 ( 7.840 -14.668 1.918) 16.742 7.071 ( 0.136 11.815 -11.431) 16.440 7.395 ( 8.838 6.117 15.666) 18.999 7.859 ( -6.069 -2.148 6.490) 9.142 8.703 ( -0.066 0.439 -3.255) 3.285 9.045 ( -6.898 4.466 -10.207) 13.104 9.418 ( -6.190 -7.917 -2.483) 10.352 11.040 ( -6.971 -16.274 -0.553) 17.713 11.893 ( -1.581 -1.684 -0.228) 2.321 12.557 ( 7.447 18.341 8.220) 21.434 13.557 ( 5.755 7.714 -3.239) 10.154 13.659 ( 3.098 3.026 -0.220) 4.336 14.572 ( 19.395 46.550 19.394) 54.029 18.891 ( 0.013 -25.085 0.903) 25.101 23.077 ( -0.206 12.760 0.155) 12.762 24.638 ( -18.244 -25.148 -11.727) 33.208 24.890 ( -5.654 -11.464 -1.854) 12.916 ======================= Grid point 17 (11/433) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 16.850 -34.454 -11.322) 39.990 2.826 ( -1.560 -35.991 23.662) 43.101 2.949 ( 27.612 -7.409 17.271) 33.401 4.801 ( -1.793 -2.449 2.115) 3.699 5.006 ( 6.605 5.608 -0.879) 8.709 5.292 ( -13.059 -0.589 -4.208) 13.733 5.570 ( -8.334 10.257 9.597) 16.333 6.494 ( 5.116 -6.420 8.080) 11.519 6.799 ( 1.208 6.553 -16.139) 17.460 7.470 ( 8.145 2.228 6.830) 10.861 7.913 ( -4.450 -4.312 7.964) 10.090 8.667 ( -3.108 -0.410 -4.197) 5.238 8.834 ( -6.617 6.218 -7.959) 12.074 9.431 ( -0.665 0.673 -2.863) 3.016 11.257 ( -7.890 -16.734 -1.764) 18.585 11.935 ( -1.860 -5.550 0.782) 5.906 12.368 ( 6.875 16.768 8.796) 20.145 13.434 ( 6.202 11.110 -3.413) 13.174 13.627 ( 2.891 4.065 0.931) 5.074 14.181 ( 10.605 27.322 10.866) 31.258 19.400 ( -0.092 -33.697 1.276) 33.722 22.804 ( 0.192 19.366 -0.553) 19.375 24.777 ( -10.389 -14.319 -7.313) 19.142 24.993 ( -6.036 -8.279 -2.156) 10.470 ======================= Grid point 18 (12/433) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 12.469 -9.992 0.048) 15.979 3.376 ( 9.214 -19.595 13.886) 25.723 3.534 ( 8.138 -30.680 3.277) 31.909 4.784 ( -6.114 0.122 1.876) 6.397 4.938 ( 1.428 3.060 -8.317) 8.977 5.232 ( -5.616 4.053 0.384) 6.937 5.413 ( -6.525 1.666 12.982) 14.625 6.328 ( -1.382 17.173 -6.767) 18.510 6.953 ( 5.993 -14.183 1.693) 15.490 7.517 ( 5.212 1.986 -1.928) 5.901 7.975 ( -5.156 -2.864 6.371) 8.682 8.617 ( -5.659 -1.719 -6.146) 8.529 8.670 ( -3.511 3.449 -1.723) 5.215 9.375 ( 5.425 6.123 -1.107) 8.255 11.407 ( -7.804 -10.649 -3.480) 13.653 12.069 ( -3.791 -11.573 1.647) 12.289 12.225 ( 6.569 11.812 8.479) 15.955 13.256 ( 6.389 14.331 -3.865) 16.160 13.585 ( 1.903 4.556 2.650) 5.604 13.926 ( 5.356 16.662 4.415) 18.050 20.023 ( -0.294 -38.405 1.630) 38.441 22.418 ( 0.548 25.982 -1.228) 26.017 24.865 ( -9.767 -11.109 -6.571) 16.186 25.058 ( -0.447 -4.142 0.778) 4.238 ======================= Grid point 19 (13/433) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -1.280 4.950 -2.555) 5.715 3.805 ( 2.282 -13.234 10.529) 17.065 4.079 ( 12.209 -23.454 -7.952) 27.611 4.730 ( -6.476 2.248 2.757) 7.389 4.880 ( 3.250 0.148 -8.548) 9.146 5.005 ( -11.934 10.064 8.367) 17.712 5.530 ( -0.067 -7.568 5.321) 9.252 5.997 ( -1.613 13.923 -6.061) 15.271 7.199 ( 1.661 -5.399 1.860) 5.947 7.472 ( 0.856 1.349 -6.300) 6.499 8.003 ( -2.534 -1.486 6.529) 7.159 8.571 ( -6.532 -2.197 -3.446) 7.705 8.619 ( -1.492 -1.180 -3.665) 4.130 9.351 ( 11.743 5.955 4.432) 13.892 11.444 ( -8.078 -5.543 -5.221) 11.101 12.107 ( 2.966 6.309 7.004) 9.882 12.336 ( -1.558 -14.566 3.040) 14.962 13.025 ( 5.615 16.669 -4.094) 18.060 13.537 ( 0.459 4.601 4.386) 6.373 13.757 ( 2.518 8.605 -1.004) 9.022 20.692 ( -0.539 -39.163 1.841) 39.210 21.922 ( 0.683 32.123 -1.611) 32.171 24.901 ( -8.825 -7.313 -5.631) 12.770 25.150 ( 4.301 -3.419 3.123) 6.320 ======================= Grid point 20 (14/433) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -15.309 9.717 -10.515) 20.961 3.913 ( 5.164 7.876 -1.811) 9.591 4.318 ( -4.465 10.734 7.114) 13.629 4.592 ( -1.387 -0.580 -0.250) 1.524 4.921 ( 0.109 -7.766 -6.933) 10.411 4.942 ( 0.659 -5.559 -1.136) 5.712 5.555 ( -2.560 4.491 -4.572) 6.901 5.920 ( -0.155 -7.208 7.647) 10.510 7.109 ( -4.893 6.852 -9.060) 12.368 7.486 ( -0.271 -0.197 0.815) 0.882 8.053 ( 0.389 -0.365 5.330) 5.357 8.524 ( -3.154 -1.990 -5.190) 6.391 8.649 ( -1.370 -5.280 -1.103) 5.565 9.446 ( 14.109 1.720 8.887) 16.762 11.412 ( -8.774 -4.220 -6.700) 11.819 12.088 ( 3.846 4.308 7.179) 9.214 12.561 ( 0.070 -5.810 0.995) 5.895 12.784 ( 1.111 8.030 -2.676) 8.537 13.491 ( -0.729 3.079 4.042) 5.133 13.664 ( 0.626 2.635 -4.034) 4.859 21.315 ( -0.278 12.555 0.793) 12.583 21.358 ( 0.181 -12.247 -0.634) 12.265 24.900 ( -6.094 -3.817 -3.899) 8.180 25.281 ( 6.846 -3.569 4.341) 8.857 ======================= Grid point 21 (15/433) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -23.488 12.581 -16.255) 31.212 3.623 ( 2.430 26.685 -6.162) 27.494 3.902 ( -7.276 29.290 8.615) 31.385 4.647 ( -1.984 -3.894 -0.636) 4.417 4.950 ( -1.055 1.068 -3.573) 3.876 5.122 ( 3.707 -14.319 -14.835) 20.949 5.497 ( 0.313 -1.228 6.128) 6.258 6.141 ( -1.169 -12.115 4.335) 12.920 6.907 ( -5.526 5.584 -3.520) 8.608 7.417 ( -1.595 5.837 -3.040) 6.771 8.023 ( -0.602 4.679 -1.751) 5.032 8.572 ( 1.404 -5.635 -1.417) 5.978 8.761 ( -0.490 -8.308 3.582) 9.060 9.616 ( 12.734 -0.837 8.770) 15.485 11.372 ( -9.005 -5.487 -7.437) 12.904 12.091 ( 2.987 4.193 6.339) 8.167 12.370 ( 3.714 19.152 -4.250) 19.967 12.915 ( -4.424 -15.474 2.463) 16.282 13.474 ( -1.040 -0.176 1.866) 2.144 13.623 ( -1.285 -0.686 -5.081) 5.286 20.674 ( 0.342 39.428 -1.180) 39.447 21.931 ( -0.570 -31.899 1.247) 31.928 24.879 ( -3.663 -0.988 -2.338) 4.456 25.440 ( 8.931 -3.489 5.347) 10.978 ======================= Grid point 22 (16/433) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -25.796 15.461 -19.051) 35.601 3.046 ( -3.827 37.316 1.163) 37.529 3.323 ( -0.778 36.940 -2.646) 37.042 4.694 ( -2.348 -4.940 -0.480) 5.491 4.875 ( -0.279 2.935 -3.560) 4.622 5.281 ( -2.395 -12.067 -11.518) 16.853 5.618 ( 5.392 -3.532 6.791) 9.363 6.262 ( -3.827 -2.823 -4.717) 6.699 6.829 ( -4.408 -1.041 6.985) 8.325 7.276 ( -0.167 5.664 -4.754) 7.396 7.921 ( 0.278 3.637 -4.342) 5.671 8.661 ( 0.905 -3.280 0.138) 3.405 8.953 ( 1.022 -10.382 5.045) 11.588 9.784 ( 10.429 -1.256 6.850) 12.541 11.357 ( -8.961 -7.141 -7.271) 13.570 11.962 ( 1.536 19.512 0.865) 19.591 12.140 ( 1.249 4.634 -1.380) 4.994 13.145 ( -4.205 -13.831 3.998) 14.999 13.498 ( -0.676 -2.869 0.010) 2.947 13.600 ( -2.957 -2.402 -6.462) 7.501 20.004 ( 0.165 38.523 -0.761) 38.531 22.423 ( -0.323 -25.878 0.678) 25.889 24.842 ( -1.926 1.174 -1.148) 2.530 25.618 ( 10.525 -3.226 6.130) 12.600 ======================= Grid point 23 (17/433) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -21.103 18.919 -16.870) 32.982 2.338 ( -4.393 42.554 3.172) 42.898 2.609 ( 0.817 44.350 -5.059) 44.645 4.777 ( -0.841 -7.160 -0.817) 7.255 4.837 ( 1.332 1.327 1.675) 2.518 5.361 ( -5.220 -8.524 -10.655) 14.610 5.756 ( 5.355 -3.629 3.202) 7.218 6.134 ( -4.986 8.401 -3.472) 10.368 6.848 ( -3.559 0.524 1.466) 3.885 7.219 ( 0.862 -0.492 0.066) 0.995 7.900 ( 2.085 -2.851 -2.367) 4.252 8.697 ( -0.017 -0.285 0.388) 0.482 9.155 ( 0.988 -9.167 3.064) 9.716 9.923 ( 8.506 -1.407 4.871) 9.903 11.361 ( -6.602 -5.084 -4.683) 9.559 11.609 ( -3.380 18.126 -3.594) 18.786 12.088 ( -0.350 3.060 -0.395) 3.105 13.345 ( -3.977 -10.757 6.340) 13.105 13.550 ( 0.115 -3.838 -2.604) 4.640 13.577 ( -3.145 -2.708 -6.952) 8.096 19.384 ( 0.056 33.693 -0.342) 33.695 22.807 ( -0.070 -19.340 0.175) 19.341 24.795 ( -0.761 2.374 -0.379) 2.522 25.804 ( 10.298 -3.383 5.901) 12.342 ======================= Grid point 24 (18/433) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 22.203 0.000) 22.203 1.576 ( 0.000 45.411 0.000) 45.411 1.795 ( 0.000 49.910 0.000) 49.910 4.846 ( 0.000 0.798 0.000) 0.798 4.920 ( -0.000 -10.071 -0.000) 10.071 5.382 ( -0.000 -3.339 -0.000) 3.339 5.877 ( -0.000 -6.092 -0.000) 6.092 5.907 ( 0.000 12.759 0.000) 12.759 6.761 ( 0.000 6.340 0.000) 6.340 7.266 ( -0.000 -3.254 -0.000) 3.254 8.014 ( -0.000 -8.474 -0.000) 8.474 8.677 ( 0.000 2.564 0.000) 2.564 9.303 ( -0.000 -6.483 -0.000) 6.483 10.031 ( -0.000 -2.931 -0.000) 2.931 11.228 ( 0.000 19.070 0.000) 19.070 11.423 ( -0.000 -6.995 -0.000) 6.995 12.020 ( 0.000 4.102 0.000) 4.102 13.506 ( -0.000 -7.671 -0.000) 7.671 13.556 ( -0.000 -1.564 -0.000) 1.564 13.611 ( -0.000 -3.102 -0.000) 3.102 18.881 ( 0.000 25.047 0.000) 25.047 23.079 ( -0.000 -12.751 -0.000) 12.751 24.748 ( 0.000 2.472 0.000) 2.472 25.955 ( -0.000 -4.128 -0.000) 4.128 ======================= Grid point 27 (19/433) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 11.417 0.000 20.433) 23.406 0.983 ( 23.108 0.000 2.764) 23.273 2.382 ( 38.085 0.000 33.152) 50.493 4.551 ( 2.199 0.000 6.642) 6.997 5.373 ( 1.550 0.000 -6.371) 6.557 5.614 ( -5.029 -0.000 12.788) 13.741 5.711 ( -2.102 -0.000 -21.422) 21.525 5.987 ( -5.214 -0.000 6.758) 8.536 7.261 ( -3.358 -0.000 -2.690) 4.303 7.735 ( -3.807 -0.000 2.889) 4.779 7.786 ( -5.551 -0.000 17.603) 18.457 8.775 ( -12.166 -0.000 -13.135) 17.904 8.959 ( 15.325 0.000 10.224) 18.422 9.216 ( -6.761 -0.000 -6.340) 9.269 10.740 ( -6.369 -0.000 0.127) 6.371 11.865 ( -2.275 -0.000 -0.927) 2.457 12.895 ( 0.922 0.000 1.861) 2.077 13.697 ( 1.705 0.000 -0.432) 1.759 13.707 ( 6.089 0.000 -1.205) 6.207 16.336 ( -14.390 -0.000 3.125) 14.725 18.447 ( 0.273 0.000 0.404) 0.488 23.292 ( -1.140 -0.000 1.704) 2.050 23.405 ( -1.055 -0.000 -0.007) 1.055 24.767 ( 2.374 0.000 1.408) 2.760 ======================= Grid point 28 (20/433) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 28.579 -26.349 -16.541) 42.245 1.493 ( -1.730 -32.347 32.831) 46.121 2.889 ( 34.123 -0.439 28.286) 44.325 4.650 ( 3.061 -3.647 6.281) 7.882 5.262 ( 3.848 7.986 -6.929) 11.251 5.383 ( -24.359 3.448 -4.965) 25.098 5.807 ( 3.218 0.034 0.352) 3.238 6.037 ( 2.897 -8.778 4.865) 10.446 7.154 ( -4.725 6.297 -5.079) 9.369 7.668 ( 2.212 6.470 7.698) 10.296 7.807 ( -5.196 -0.070 8.147) 9.663 8.612 ( -9.209 -1.981 -11.533) 14.891 9.034 ( -3.508 5.278 -4.629) 7.848 9.285 ( 8.358 -8.212 5.896) 13.117 10.755 ( -7.385 -8.890 0.112) 11.558 11.845 ( -2.612 -0.988 -1.211) 3.044 12.847 ( 1.889 8.018 3.103) 8.802 13.684 ( 2.751 3.338 -0.627) 4.371 13.740 ( 5.448 2.289 0.459) 5.928 15.690 ( -0.119 51.397 6.927) 51.862 18.566 ( 0.228 -13.393 0.665) 13.412 23.238 ( -0.619 6.317 0.812) 6.399 23.776 ( -11.829 -37.037 -6.361) 39.397 24.818 ( 2.325 -2.490 1.594) 3.762 ======================= Grid point 29 (21/433) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 23.024 -33.159 -15.720) 43.322 2.264 ( -3.414 -39.580 27.678) 48.418 3.302 ( 27.540 1.604 20.865) 34.588 4.742 ( -1.811 -2.173 -0.557) 2.884 5.034 ( -14.781 1.859 -15.713) 21.652 5.231 ( 0.254 3.189 8.626) 9.200 5.723 ( -4.181 9.114 8.385) 13.072 6.349 ( 7.504 -16.733 2.293) 18.482 6.905 ( -5.062 12.691 -8.883) 16.297 7.636 ( 5.324 4.950 1.980) 7.534 7.837 ( -5.826 -3.568 9.505) 11.706 8.526 ( -8.113 -3.684 -10.550) 13.810 8.853 ( -6.393 6.004 -6.040) 10.648 9.489 ( 11.514 -0.390 6.205) 13.086 10.894 ( -8.205 -15.284 -0.300) 17.350 11.843 ( -2.860 -2.722 -1.062) 4.089 12.711 ( 3.001 12.680 4.764) 13.873 13.627 ( 4.009 6.696 -0.686) 7.835 13.735 ( 4.602 4.274 1.307) 6.415 14.942 ( 5.762 42.998 7.057) 43.952 18.903 ( 0.134 -25.116 0.986) 25.136 23.075 ( -0.270 12.760 0.219) 12.765 24.180 ( -14.953 -29.610 -8.981) 34.366 24.904 ( 1.911 -4.059 1.670) 4.787 ======================= Grid point 30 (22/433) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 16.172 -31.586 -10.998) 37.150 3.032 ( -1.562 -36.871 21.485) 42.702 3.527 ( 14.466 4.636 8.398) 17.357 4.650 ( -13.155 -2.311 -8.480) 15.821 4.899 ( -2.581 -0.983 -9.508) 9.901 5.286 ( 5.157 1.220 9.761) 11.107 5.554 ( -5.901 11.063 12.751) 17.883 6.552 ( -4.557 16.267 -6.839) 18.225 6.734 ( 6.171 -18.063 0.459) 19.093 7.595 ( 3.277 4.098 -6.121) 8.062 7.907 ( -5.754 -4.034 10.923) 12.988 8.466 ( -6.739 -3.410 -8.635) 11.472 8.677 ( -5.736 3.939 -5.222) 8.700 9.585 ( 13.793 5.987 6.031) 16.201 11.086 ( -8.483 -15.616 -1.447) 17.830 11.885 ( -3.258 -6.498 -0.270) 7.274 12.542 ( 3.680 13.618 5.804) 15.254 13.517 ( 5.272 10.963 -0.685) 12.184 13.699 ( 3.165 4.952 1.846) 6.160 14.405 ( 4.663 30.197 3.884) 30.801 19.413 ( -0.026 -33.679 1.283) 33.704 22.801 ( 0.152 19.388 -0.490) 19.394 24.430 ( -12.880 -21.072 -7.967) 25.950 25.005 ( 2.023 -4.619 1.861) 5.375 ======================= Grid point 31 (23/433) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 0.279 -3.626 -7.714) 8.528 3.594 ( -2.385 -16.247 11.049) 19.792 3.726 ( 10.060 -27.797 -1.278) 29.589 4.593 ( -5.962 -4.534 -3.686) 8.348 4.842 ( -2.447 -0.355 -7.968) 8.343 5.240 ( -0.493 14.660 8.237) 16.823 5.497 ( -0.284 -0.805 12.559) 12.588 6.186 ( -4.046 15.492 -8.948) 18.342 7.080 ( 3.360 -13.354 4.701) 14.550 7.475 ( -0.672 4.589 -11.896) 12.768 7.986 ( -3.279 -3.039 11.540) 12.375 8.433 ( -5.563 -3.829 -4.727) 8.243 8.563 ( -3.718 0.576 -7.285) 8.199 9.630 ( 15.347 7.821 7.030) 18.604 11.216 ( -8.384 -9.706 -3.132) 13.203 12.013 ( -3.607 -11.860 1.058) 12.442 12.400 ( 3.869 10.294 5.719) 12.395 13.339 ( 5.529 15.383 -0.997) 16.376 13.649 ( 1.657 4.887 2.825) 5.883 14.026 ( 2.593 20.111 0.213) 20.279 20.036 ( -0.244 -38.306 1.465) 38.335 22.414 ( 0.431 26.056 -1.004) 26.078 24.592 ( -9.761 -14.983 -6.056) 18.880 25.121 ( 2.864 -5.242 2.252) 6.384 ======================= Grid point 32 (24/433) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -16.155 12.057 -12.119) 23.520 3.964 ( 2.741 -12.894 9.297) 16.131 4.208 ( 11.901 -17.857 -9.594) 23.507 4.590 ( -6.908 0.282 0.698) 6.949 4.799 ( -5.777 -5.216 -4.042) 8.770 5.004 ( -0.121 15.099 9.760) 17.979 5.551 ( -0.077 1.673 -3.123) 3.543 5.934 ( -1.811 4.801 2.186) 5.578 7.133 ( -3.761 6.111 -7.622) 10.468 7.448 ( 1.196 -5.296 -0.911) 5.505 8.076 ( -0.687 -1.990 10.850) 11.052 8.426 ( -4.474 -2.651 -2.864) 5.937 8.522 ( -1.244 -4.584 -8.450) 9.693 9.692 ( 14.523 5.688 7.877) 17.474 11.233 ( -8.042 -4.269 -4.314) 10.075 12.182 ( -1.240 -5.408 4.037) 6.862 12.371 ( 1.458 -4.196 2.609) 5.152 13.087 ( 4.530 18.739 -1.636) 19.348 13.594 ( -0.196 5.099 5.158) 7.256 13.767 ( 1.650 11.486 -3.985) 12.269 20.701 ( -0.422 -39.025 1.423) 39.054 21.917 ( 0.469 32.244 -1.147) 32.267 24.702 ( -6.442 -10.140 -4.037) 12.674 25.262 ( 3.792 -6.181 2.607) 7.706 ======================= Grid point 33 (25/433) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -18.832 14.999 -13.156) 27.436 4.008 ( 7.580 15.725 -3.006) 17.714 4.303 ( -7.314 17.710 9.807) 21.525 4.528 ( -1.808 -10.571 -5.280) 11.954 4.866 ( -4.356 -3.430 5.916) 8.108 4.944 ( 5.813 -3.640 -10.329) 12.398 5.459 ( -2.459 -1.271 -3.181) 4.217 6.007 ( 0.205 -6.692 7.008) 9.692 6.929 ( -3.785 6.340 -7.272) 10.363 7.480 ( -0.373 2.679 -0.419) 2.738 8.099 ( -1.050 4.357 3.543) 5.713 8.471 ( 1.062 -6.798 -0.924) 6.942 8.600 ( -1.745 -9.250 -2.495) 9.738 9.782 ( 10.938 2.417 6.782) 13.095 11.194 ( -6.915 -2.757 -4.517) 8.707 12.204 ( 1.430 3.006 4.422) 5.534 12.574 ( -0.103 -12.831 1.199) 12.887 12.781 ( 1.565 17.736 -2.264) 17.948 13.529 ( -1.711 4.939 6.667) 8.472 13.622 ( 1.470 4.165 -6.905) 8.197 21.320 ( -0.337 27.185 0.976) 27.204 21.354 ( 0.241 -26.654 -0.817) 26.667 24.776 ( -3.510 -5.920 -2.249) 7.240 25.426 ( 4.272 -7.053 2.696) 8.675 ======================= Grid point 34 (26/433) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -13.637 18.139 -9.694) 24.677 3.616 ( 1.407 31.049 -2.299) 31.165 3.879 ( -2.724 29.440 3.617) 29.786 4.618 ( -1.163 -3.143 0.463) 3.383 4.890 ( -0.804 1.483 -2.454) 2.978 5.015 ( -0.342 -10.627 -6.349) 12.384 5.574 ( 1.279 -9.096 2.775) 9.595 6.146 ( -0.957 -5.987 1.039) 6.152 6.815 ( -1.906 0.879 -0.754) 2.230 7.373 ( -0.283 7.468 -1.618) 7.646 7.992 ( -0.534 6.502 -1.008) 6.601 8.596 ( 1.057 -5.509 0.160) 5.611 8.776 ( -0.407 -12.491 1.158) 12.551 9.871 ( 5.829 -0.245 3.856) 6.993 11.170 ( -4.600 -3.572 -3.421) 6.754 12.181 ( 0.744 3.227 2.956) 4.439 12.391 ( 1.989 22.810 -1.837) 22.970 12.872 ( -1.824 -16.338 0.641) 16.452 13.489 ( -0.886 1.385 3.725) 4.072 13.554 ( 0.060 1.361 -4.877) 5.064 20.669 ( 0.121 39.489 -0.415) 39.491 21.933 ( -0.216 -31.846 0.463) 31.851 24.814 ( -1.366 -2.200 -0.876) 2.734 25.602 ( 3.555 -7.590 2.132) 8.648 ======================= Grid point 35 (27/433) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 20.855 0.000) 20.855 3.018 ( 0.000 38.404 0.000) 38.404 3.302 ( 0.000 37.954 0.000) 37.954 4.670 ( -0.000 -4.363 -0.000) 4.363 4.857 ( 0.000 0.703 0.000) 0.703 5.169 ( -0.000 -9.290 -0.000) 9.290 5.720 ( -0.000 -5.390 -0.000) 5.390 6.184 ( 0.000 0.956 0.000) 0.956 6.830 ( -0.000 -1.965 -0.000) 1.965 7.254 ( 0.000 4.717 0.000) 4.717 7.899 ( 0.000 2.984 0.000) 2.984 8.672 ( -0.000 -2.893 -0.000) 2.893 8.990 ( -0.000 -11.656 -0.000) 11.656 9.932 ( -0.000 -2.249 -0.000) 2.249 11.208 ( -0.000 -4.995 -0.000) 4.995 11.990 ( 0.000 23.998 0.000) 23.998 12.142 ( 0.000 3.098 0.000) 3.098 13.128 ( -0.000 -14.302 -0.000) 14.302 13.505 ( -0.000 -2.011 -0.000) 2.011 13.523 ( 0.000 0.142 0.000) 0.142 20.002 ( 0.000 38.534 0.000) 38.534 22.424 ( -0.000 -25.864 -0.000) 25.864 24.817 ( 0.000 0.689 0.000) 0.689 25.756 ( -0.000 -7.309 -0.000) 7.309 ======================= Grid point 40 (28/433) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 9.466 0.000 17.258) 19.683 1.400 ( 19.466 0.000 2.135) 19.583 3.335 ( 31.211 0.000 25.135) 40.074 4.694 ( 3.363 0.000 4.899) 5.942 5.093 ( -27.465 -0.000 -13.766) 30.722 5.325 ( 0.177 0.000 -5.208) 5.211 5.885 ( 13.032 0.000 -0.646) 13.048 5.999 ( -3.026 -0.000 9.446) 9.918 7.136 ( -6.921 -0.000 -2.951) 7.524 7.689 ( -6.515 -0.000 5.880) 8.776 7.868 ( 0.937 0.000 5.089) 5.174 8.424 ( -9.450 -0.000 -12.738) 15.861 8.989 ( -8.530 -0.000 -9.203) 12.548 9.417 ( 18.805 0.000 14.654) 23.841 10.614 ( -7.353 -0.000 0.431) 7.365 11.803 ( -2.878 -0.000 -1.619) 3.302 12.936 ( 1.153 0.000 2.071) 2.370 13.726 ( 1.874 0.000 -0.457) 1.929 13.826 ( 6.404 0.000 2.075) 6.732 16.058 ( -15.235 -0.000 -4.027) 15.758 18.457 ( 0.374 0.000 0.468) 0.599 23.290 ( -0.761 -0.000 1.025) 1.276 23.384 ( -1.223 -0.000 0.082) 1.225 24.829 ( 2.464 0.000 1.574) 2.923 ======================= Grid point 41 (29/433) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 24.271 -22.461 -13.474) 35.709 1.802 ( -1.427 -26.705 27.972) 38.699 3.698 ( 25.224 3.394 18.814) 31.650 4.596 ( -22.072 -0.849 -18.622) 28.891 4.890 ( -2.668 1.436 2.768) 4.104 5.309 ( 1.608 -0.745 1.536) 2.345 5.895 ( 1.312 7.559 7.523) 10.745 6.172 ( 7.105 -12.044 1.741) 14.092 6.986 ( -7.686 7.357 -4.715) 11.637 7.668 ( -6.961 -0.688 4.785) 8.475 7.866 ( 2.129 2.995 4.085) 5.495 8.327 ( -6.297 -4.096 -10.950) 13.279 8.825 ( -8.462 3.423 -9.159) 12.931 9.679 ( 17.750 -0.410 13.319) 22.195 10.620 ( -7.372 -8.059 0.470) 10.932 11.777 ( -2.933 -1.157 -1.664) 3.565 12.906 ( 1.416 6.073 2.379) 6.674 13.722 ( 2.187 2.198 -0.482) 3.138 13.870 ( 6.335 3.564 3.153) 7.923 15.606 ( -9.238 30.415 -2.991) 31.927 18.579 ( 0.325 -13.439 0.610) 13.457 23.235 ( -0.603 6.311 0.768) 6.386 23.581 ( -5.402 -22.123 -2.781) 22.942 24.878 ( 2.174 -2.246 1.536) 3.483 ======================= Grid point 42 (30/433) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 19.653 -29.479 -13.423) 37.887 2.490 ( -3.311 -37.583 24.092) 44.765 3.763 ( -0.811 10.523 -2.602) 10.870 4.406 ( -7.910 -6.741 -6.742) 12.388 4.859 ( 0.568 2.409 -2.490) 3.511 5.404 ( 5.665 -1.474 9.396) 11.070 5.780 ( -1.678 11.254 11.107) 15.901 6.484 ( 6.467 -15.708 -3.337) 17.312 6.715 ( -7.029 11.736 -3.526) 14.127 7.612 ( -4.819 1.837 -3.217) 6.078 7.891 ( -0.153 -0.768 9.017) 9.051 8.301 ( -4.023 -4.265 -8.848) 10.614 8.641 ( -7.533 3.422 -8.353) 11.758 9.869 ( 16.741 4.624 10.702) 20.400 10.747 ( -7.516 -14.165 0.054) 16.036 11.775 ( -2.944 -3.005 -1.193) 4.373 12.794 ( 1.773 10.178 2.864) 10.721 13.687 ( 3.190 4.625 -0.388) 5.632 13.852 ( 5.122 6.877 3.713) 9.345 14.982 ( -3.258 32.885 -1.474) 33.079 18.916 ( 0.194 -25.151 0.823) 25.165 23.072 ( -0.248 12.755 0.214) 12.759 23.898 ( -8.322 -23.863 -4.881) 25.740 24.958 ( 1.830 -3.940 1.476) 4.588 ======================= Grid point 43 (31/433) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 10.821 -25.705 -8.891) 29.272 3.222 ( -3.114 -36.000 19.265) 40.949 3.445 ( -14.572 3.110 -17.563) 23.032 4.509 ( 5.095 -3.745 2.344) 6.744 4.794 ( -1.580 2.160 -5.316) 5.952 5.496 ( 6.693 6.026 5.840) 10.734 5.638 ( -2.027 8.986 16.054) 18.509 6.334 ( -6.310 13.898 -11.962) 19.392 6.877 ( 4.207 -17.078 5.369) 18.390 7.478 ( -3.833 5.116 -9.598) 11.532 7.975 ( -1.540 -2.946 12.109) 12.557 8.297 ( -2.791 -4.054 -6.564) 8.204 8.495 ( -5.318 1.420 -8.327) 9.982 9.951 ( 14.977 8.249 8.256) 18.987 10.929 ( -7.003 -14.160 -0.863) 15.821 11.824 ( -2.781 -6.878 -0.314) 7.425 12.640 ( 1.944 11.369 3.053) 11.931 13.607 ( 4.428 9.597 0.324) 10.574 13.780 ( 2.657 7.416 3.218) 8.510 14.444 ( -0.862 27.049 -1.652) 27.113 19.426 ( 0.015 -33.653 0.947) 33.667 22.799 ( 0.093 19.411 -0.326) 19.414 24.174 ( -7.653 -20.402 -4.611) 22.273 25.060 ( 1.740 -5.309 1.440) 5.769 ======================= Grid point 44 (32/433) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -15.514 10.108 -12.874) 22.552 3.600 ( 1.004 -29.071 -1.298) 29.118 3.901 ( 5.615 -30.410 5.538) 31.416 4.582 ( 2.765 1.072 1.437) 3.295 4.697 ( -4.027 2.598 -5.865) 7.574 5.340 ( -0.093 16.260 9.572) 18.869 5.634 ( 3.859 5.787 4.239) 8.146 6.014 ( -5.070 8.589 -5.517) 11.398 7.152 ( -0.528 -1.995 2.402) 3.167 7.328 ( -0.709 -3.867 -8.256) 9.145 8.089 ( -0.887 -3.470 13.085) 13.566 8.321 ( -2.478 -4.503 -2.617) 5.768 8.400 ( -2.380 -0.765 -11.352) 11.624 9.970 ( 11.576 8.121 6.078) 15.391 11.055 ( -5.790 -8.027 -1.765) 10.054 11.968 ( -2.147 -12.557 0.541) 12.751 12.494 ( 1.693 9.136 2.529) 9.630 13.428 ( 3.848 16.353 0.768) 16.817 13.702 ( 0.807 5.362 2.389) 5.925 14.032 ( -0.024 19.889 -2.256) 20.016 20.045 ( -0.139 -38.221 0.868) 38.231 22.412 ( 0.232 26.117 -0.555) 26.124 24.403 ( -5.156 -16.093 -3.152) 17.190 25.186 ( 1.779 -6.672 1.348) 7.035 ======================= Grid point 45 (33/433) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -11.253 13.679 -8.165) 19.504 4.080 ( 0.889 -23.399 4.376) 23.822 4.308 ( 9.638 -2.736 -8.492) 13.133 4.511 ( -7.276 9.016 7.124) 13.600 4.668 ( -2.068 -13.179 -4.048) 13.941 5.112 ( 0.584 15.375 6.710) 16.786 5.474 ( -0.567 9.377 -6.283) 11.301 5.965 ( -0.175 -2.868 3.757) 4.730 6.996 ( -2.165 8.860 -4.396) 10.125 7.462 ( 0.419 -5.514 0.096) 5.530 8.182 ( -0.550 2.115 8.558) 8.832 8.356 ( 0.057 -6.102 -2.467) 6.583 8.410 ( -1.395 -7.846 -6.235) 10.118 9.960 ( 6.305 5.679 3.504) 9.180 11.089 ( -3.513 -2.848 -1.638) 4.810 12.185 ( -0.873 -11.412 1.099) 11.498 12.414 ( 0.710 0.693 0.969) 1.387 13.141 ( 1.879 20.312 -0.029) 20.398 13.635 ( -0.506 4.490 3.231) 5.555 13.743 ( 0.699 12.871 -3.271) 13.298 20.707 ( -0.161 -38.942 0.537) 38.946 21.914 ( 0.165 32.318 -0.413) 32.321 24.591 ( -2.285 -11.436 -1.428) 11.749 25.331 ( 1.438 -7.881 0.981) 8.071 ======================= Grid point 46 (34/433) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 0.000 16.639 0.000) 16.639 4.079 ( 0.000 22.363 0.000) 22.363 4.279 ( 0.000 17.484 0.000) 17.484 4.470 ( -0.000 -15.894 -0.000) 15.894 4.870 ( -0.000 -5.638 -0.000) 5.638 4.934 ( 0.000 5.439 0.000) 5.439 5.416 ( -0.000 -6.653 -0.000) 6.653 6.053 ( -0.000 -5.395 -0.000) 5.395 6.849 ( 0.000 5.205 0.000) 5.205 7.473 ( 0.000 3.772 0.000) 3.772 8.105 ( 0.000 6.791 0.000) 6.791 8.499 ( -0.000 -6.706 -0.000) 6.706 8.552 ( -0.000 -13.019 -0.000) 13.019 9.929 ( 0.000 2.607 0.000) 2.607 11.100 ( -0.000 -1.741 -0.000) 1.741 12.239 ( 0.000 2.235 0.000) 2.235 12.580 ( -0.000 -16.208 -0.000) 16.208 12.785 ( 0.000 22.364 0.000) 22.364 13.567 ( 0.000 6.903 0.000) 6.903 13.580 ( 0.000 3.126 0.000) 3.126 21.322 ( 0.000 37.120 0.000) 37.120 21.351 ( -0.000 -36.507 -0.000) 36.507 24.730 ( -0.000 -6.620 -0.000) 6.620 25.482 ( -0.000 -8.464 -0.000) 8.464 ======================= Grid point 53 (35/433) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 6.879 0.000 12.611) 14.365 1.729 ( 14.183 0.000 1.485) 14.261 4.062 ( 23.387 0.000 16.479) 28.609 4.183 ( -32.028 -0.000 -26.729) 41.716 4.992 ( 5.540 0.000 10.465) 11.841 5.270 ( -1.089 -0.000 -3.156) 3.338 6.079 ( -0.396 -0.000 10.503) 10.510 6.096 ( 10.711 0.000 -0.856) 10.745 6.948 ( -8.774 -0.000 -4.748) 9.976 7.621 ( -9.692 -0.000 8.555) 12.927 7.932 ( 3.070 0.000 0.043) 3.070 8.189 ( -2.236 -0.000 -9.903) 10.153 8.719 ( -8.991 -0.000 -10.055) 13.488 9.909 ( 16.110 0.000 13.733) 21.169 10.501 ( -5.116 -0.000 1.186) 5.252 11.731 ( -2.681 -0.000 -1.812) 3.236 12.978 ( 1.081 0.000 1.715) 2.027 13.753 ( 1.544 0.000 -0.359) 1.585 13.985 ( 7.127 0.000 4.285) 8.316 15.707 ( -15.362 -0.000 -8.231) 17.428 18.469 ( 0.374 0.000 0.406) 0.552 23.287 ( -0.548 -0.000 0.692) 0.883 23.364 ( -1.068 -0.000 0.146) 1.078 24.885 ( 1.911 0.000 1.331) 2.329 ======================= Grid point 54 (36/433) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 19.047 -21.271 -12.949) 31.351 2.035 ( -3.789 -23.250 22.845) 32.815 3.694 ( -27.516 5.790 -23.535) 36.668 4.366 ( 15.570 -3.448 9.799) 18.717 4.967 ( 2.319 8.805 1.661) 9.255 5.391 ( 2.701 -9.985 5.808) 11.862 6.009 ( 1.327 9.423 8.445) 12.723 6.314 ( 7.258 -10.294 -0.229) 12.598 6.778 ( -8.623 6.886 -5.425) 12.296 7.571 ( -8.823 0.730 5.146) 10.240 7.945 ( 2.633 1.008 2.404) 3.705 8.167 ( 0.011 -3.159 -8.155) 8.746 8.567 ( -8.216 1.961 -8.986) 12.333 10.116 ( 13.364 -0.389 10.786) 17.178 10.516 ( -4.148 -5.389 1.227) 6.910 11.709 ( -2.343 -1.205 -1.458) 3.011 12.950 ( 1.017 5.336 1.532) 5.644 13.752 ( 1.593 1.398 -0.332) 2.145 14.035 ( 6.772 4.753 4.889) 9.610 15.348 ( -11.391 19.420 -7.188) 23.634 18.590 ( 0.285 -13.487 0.430) 13.496 23.233 ( -0.430 6.300 0.543) 6.338 23.490 ( -2.626 -14.869 -1.202) 15.147 24.927 ( 1.468 -2.207 1.103) 2.871 ======================= Grid point 55 (37/433) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 11.796 -27.195 -8.402) 30.811 2.653 ( -2.576 -37.193 14.930) 40.161 3.247 ( -22.315 5.543 -19.186) 29.946 4.570 ( 10.427 -1.338 5.887) 12.049 4.841 ( 0.001 6.564 -1.800) 6.807 5.604 ( 5.272 -4.712 6.797) 9.808 5.884 ( -0.594 11.223 10.780) 15.573 6.415 ( -2.490 8.667 -12.099) 15.090 6.672 ( 0.245 -11.501 3.903) 12.148 7.480 ( -5.269 3.826 -1.624) 6.711 7.993 ( 0.518 -1.408 8.506) 8.638 8.180 ( 0.300 -3.224 -8.012) 8.642 8.426 ( -5.922 1.443 -6.996) 9.278 10.248 ( 12.248 5.746 7.692) 15.563 10.627 ( -5.576 -12.940 -0.074) 14.091 11.718 ( -1.903 -3.116 -0.755) 3.728 12.841 ( 0.929 9.149 1.354) 9.295 13.731 ( 1.926 2.947 -0.265) 3.530 13.993 ( 4.797 9.587 4.518) 11.633 14.849 ( -5.815 24.790 -4.628) 25.880 18.926 ( 0.138 -25.179 0.467) 25.183 23.071 ( -0.143 12.749 0.128) 12.751 23.753 ( -3.744 -19.695 -2.115) 20.159 24.997 ( 1.038 -4.130 0.849) 4.343 ======================= Grid point 56 (38/433) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -7.766 3.664 -8.556) 12.123 3.092 ( -1.262 -27.008 -3.082) 27.212 3.356 ( 0.774 -38.551 4.650) 38.838 4.658 ( 4.822 1.634 1.402) 5.281 4.726 ( -1.398 5.352 -1.322) 5.687 5.620 ( 1.819 10.895 2.728) 11.378 5.824 ( 3.836 4.276 12.893) 14.114 6.084 ( -6.098 13.409 -11.705) 18.815 6.983 ( 1.804 -17.785 3.104) 18.143 7.327 ( -2.572 7.660 -4.698) 9.347 8.090 ( -0.575 -3.362 11.944) 12.422 8.200 ( 0.266 -4.486 -8.658) 9.755 8.337 ( -2.735 0.888 -4.864) 5.650 10.231 ( 6.725 9.289 3.675) 12.042 10.824 ( -3.280 -13.574 -0.411) 13.971 11.785 ( -1.094 -7.161 -0.116) 7.245 12.684 ( 0.634 10.487 0.925) 10.547 13.670 ( 1.848 7.322 0.087) 7.552 13.857 ( 1.560 11.141 2.455) 11.515 14.384 ( -1.749 23.276 -2.198) 23.445 19.433 ( 0.012 -33.635 0.349) 33.637 22.798 ( 0.032 19.428 -0.113) 19.428 24.049 ( -2.511 -19.407 -1.488) 19.626 25.094 ( 0.648 -5.827 0.531) 5.887 ======================= Grid point 57 (39/433) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.000 10.717 0.000) 10.717 3.608 ( -0.000 -30.620 -0.000) 30.620 3.995 ( -0.000 -33.131 -0.000) 33.131 4.616 ( 0.000 6.171 0.000) 6.171 4.625 ( 0.000 4.538 0.000) 4.538 5.404 ( 0.000 15.349 0.000) 15.349 5.692 ( 0.000 16.992 0.000) 16.992 5.930 ( -0.000 -1.896 -0.000) 1.896 7.140 ( 0.000 10.120 0.000) 10.120 7.290 ( -0.000 -14.615 -0.000) 14.615 8.216 ( -0.000 -5.952 -0.000) 5.952 8.243 ( -0.000 -3.019 -0.000) 3.019 8.294 ( -0.000 -0.772 -0.000) 0.772 10.119 ( 0.000 8.285 0.000) 8.285 10.988 ( -0.000 -7.417 -0.000) 7.417 11.951 ( -0.000 -12.835 -0.000) 12.835 12.522 ( 0.000 8.821 0.000) 8.821 13.472 ( 0.000 16.803 0.000) 16.803 13.724 ( 0.000 5.809 0.000) 5.809 14.011 ( 0.000 19.006 0.000) 19.006 20.049 ( -0.000 -38.187 -0.000) 38.187 22.411 ( 0.000 26.141 0.000) 26.141 24.339 ( -0.000 -16.318 -0.000) 16.318 25.210 ( -0.000 -7.218 -0.000) 7.218 ======================= Grid point 66 (40/433) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 3.662 0.000 6.682) 7.620 1.941 ( 7.462 0.000 0.714) 7.496 3.356 ( -24.856 -0.000 -21.632) 32.951 4.540 ( 13.980 0.000 8.006) 16.110 5.192 ( 4.730 0.000 6.602) 8.122 5.220 ( -1.675 -0.000 -0.961) 1.932 6.199 ( 1.333 0.000 9.083) 9.181 6.248 ( 6.809 0.000 -0.997) 6.881 6.732 ( -7.471 -0.000 -6.251) 9.741 7.532 ( -8.437 -0.000 6.577) 10.698 7.978 ( 2.302 0.000 -0.837) 2.450 8.124 ( 3.248 0.000 -4.541) 5.583 8.463 ( -7.723 -0.000 -7.675) 10.888 10.206 ( 3.219 0.000 5.086) 6.019 10.511 ( 3.714 0.000 4.332) 5.706 11.674 ( -1.622 -0.000 -1.205) 2.021 13.010 ( 0.661 0.000 0.953) 1.160 13.772 ( 0.857 0.000 -0.192) 0.878 14.169 ( 6.748 0.000 4.960) 8.375 15.354 ( -12.001 -0.000 -8.175) 14.521 18.479 ( 0.236 0.000 0.234) 0.333 23.285 ( -0.306 -0.000 0.378) 0.486 23.350 ( -0.622 -0.000 0.115) 0.633 24.924 ( 1.015 0.000 0.759) 1.267 ======================= Grid point 67 (41/433) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 13.244 -22.231 -14.478) 29.652 2.153 ( -7.882 -20.589 17.946) 28.427 3.056 ( -13.987 2.763 -12.179) 18.751 4.674 ( 7.252 -0.071 3.718) 8.150 4.994 ( 0.149 11.669 0.201) 11.672 5.492 ( 1.586 -14.305 3.244) 14.754 6.107 ( 0.842 10.131 4.464) 11.103 6.430 ( 5.732 -7.444 0.201) 9.397 6.577 ( -6.814 5.527 -4.157) 9.709 7.487 ( -4.171 1.565 2.400) 5.061 8.005 ( 0.808 -1.658 1.882) 2.635 8.135 ( 2.806 0.324 -3.350) 4.382 8.360 ( -5.036 0.577 -4.483) 6.767 10.318 ( 1.418 -8.967 2.208) 9.343 10.533 ( 2.264 3.975 2.546) 5.235 11.667 ( -0.907 -1.182 -0.579) 1.598 12.974 ( 0.379 5.068 0.527) 5.109 13.770 ( 0.588 0.874 -0.116) 1.059 14.195 ( 4.154 5.892 3.340) 7.945 15.100 ( -6.273 14.186 -4.624) 16.186 18.597 ( 0.113 -13.515 0.155) 13.516 23.231 ( -0.154 6.292 0.195) 6.296 23.451 ( -0.816 -11.887 -0.332) 11.919 24.953 ( 0.511 -2.222 0.401) 2.315 ======================= Grid point 68 (42/433) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -0.000 -26.322 -0.000) 26.322 2.714 ( -0.000 -37.512 -0.000) 37.512 2.895 ( 0.000 4.147 0.000) 4.147 4.710 ( 0.000 0.808 0.000) 0.808 4.829 ( 0.000 7.867 0.000) 7.867 5.698 ( -0.000 -5.661 -0.000) 5.661 5.957 ( 0.000 8.374 0.000) 8.374 6.293 ( 0.000 15.968 0.000) 15.968 6.703 ( -0.000 -15.936 -0.000) 15.936 7.419 ( 0.000 5.149 0.000) 5.149 8.070 ( -0.000 -4.270 -0.000) 4.270 8.125 ( 0.000 0.194 0.000) 0.194 8.319 ( 0.000 0.284 0.000) 0.284 10.431 ( 0.000 8.688 0.000) 8.688 10.553 ( -0.000 -15.245 -0.000) 15.245 11.696 ( -0.000 -3.151 -0.000) 3.151 12.857 ( 0.000 8.872 0.000) 8.872 13.748 ( 0.000 2.336 0.000) 2.336 14.077 ( 0.000 11.046 0.000) 11.046 14.751 ( 0.000 21.438 0.000) 21.438 18.930 ( -0.000 -25.189 -0.000) 25.189 23.070 ( 0.000 12.747 0.000) 12.747 23.708 ( -0.000 -18.266 -0.000) 18.266 25.012 ( -0.000 -4.225 -0.000) 4.225 ======================= Grid point 81 (43/433) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 235 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 4.719 ( -0.000 -0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.604 ( -0.000 -0.000 -0.000) 0.000 7.486 ( -0.000 -0.000 -0.000) 0.000 7.995 ( 0.000 0.000 -0.000) 0.000 8.157 ( -0.000 -0.000 0.000) 0.000 8.323 ( 0.000 0.000 0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 10.599 ( 0.000 0.000 0.000) 0.000 11.652 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 14.277 ( 0.000 0.000 0.000) 0.000 15.176 ( 0.000 0.000 0.000) 0.000 18.482 ( 0.000 0.000 0.000) 0.000 23.284 ( 0.000 0.000 -0.000) 0.000 23.344 ( 0.000 0.000 0.000) 0.000 24.938 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 149 (44/433) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 33.171 0.000 42.069) 53.574 0.981 ( -26.501 -0.000 48.308) 55.100 1.193 ( -21.339 -0.000 58.545) 62.313 4.535 ( 0.140 0.000 5.572) 5.574 5.188 ( 9.663 0.000 -12.204) 15.567 5.295 ( 2.094 0.000 0.049) 2.094 6.002 ( 1.413 0.000 -4.248) 4.477 6.227 ( -9.613 -0.000 8.177) 12.620 6.582 ( 49.125 0.000 7.544) 49.701 7.723 ( 4.283 0.000 -5.217) 6.750 8.411 ( -0.903 -0.000 -11.714) 11.748 9.092 ( -24.150 -0.000 8.865) 25.725 9.099 ( -3.069 -0.000 -9.302) 9.795 9.500 ( -7.807 -0.000 5.311) 9.442 10.914 ( -3.981 -0.000 4.699) 6.159 11.930 ( -1.188 -0.000 1.336) 1.788 12.114 ( 115.913 0.000 -1.955) 115.930 12.808 ( 3.853 0.000 -4.446) 5.883 13.666 ( -0.166 -0.000 -0.117) 0.203 14.322 ( 42.938 0.000 -1.852) 42.978 18.589 ( -8.539 -0.000 14.899) 17.172 23.370 ( 3.327 0.000 -5.674) 6.577 24.718 ( -0.079 -0.000 1.837) 1.838 25.432 ( -66.097 -0.000 -1.018) 66.104 ======================= Grid point 150 (45/433) ======================= q-point: ( 0.08 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -3.360 -0.336 30.537) 30.723 1.485 ( 35.685 -4.830 38.437) 52.670 1.888 ( -20.305 -41.978 50.387) 68.654 4.644 ( -2.606 -7.588 5.302) 9.616 5.058 ( 5.104 10.006 -5.873) 12.675 5.536 ( 8.300 -17.299 -8.344) 20.923 5.914 ( -1.430 8.309 -2.431) 8.775 6.114 ( -3.776 6.860 8.504) 11.561 6.894 ( 24.764 5.018 -0.836) 25.281 7.566 ( 1.455 15.926 5.226) 16.825 8.161 ( -10.725 9.547 0.607) 14.371 8.689 ( -2.053 5.652 3.632) 7.025 9.263 ( -10.464 -2.691 -4.932) 11.877 9.584 ( -17.828 -15.493 -2.273) 23.729 10.985 ( -5.076 -9.870 4.163) 11.854 11.918 ( -0.021 1.071 0.869) 1.379 12.486 ( 41.546 25.369 2.986) 48.770 13.070 ( 33.071 -3.676 -22.153) 39.975 13.652 ( 0.321 1.648 -0.010) 1.679 14.458 ( 41.245 27.775 0.546) 49.728 18.706 ( -8.201 -13.110 14.855) 21.443 23.341 ( -1.042 4.803 1.804) 5.236 24.727 ( -2.205 -1.161 1.712) 3.023 25.106 ( -49.424 -24.435 -6.328) 55.496 ======================= Grid point 151 (46/433) ======================= q-point: ( 0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 16.829 -32.939 -6.556) 37.565 2.084 ( 34.180 -4.863 32.465) 47.391 2.674 ( -17.937 -39.870 43.848) 61.919 4.780 ( -2.910 -7.333 6.631) 10.306 4.928 ( 5.191 7.365 -3.594) 9.701 5.698 ( -6.976 10.095 -1.205) 12.330 5.826 ( 1.034 -9.162 -5.222) 10.597 6.073 ( 6.824 -1.890 5.593) 9.023 6.884 ( 8.894 12.184 -5.738) 16.139 7.412 ( 4.818 9.021 9.189) 13.749 8.017 ( -5.612 0.823 4.280) 7.106 8.645 ( 1.179 0.753 -4.501) 4.713 9.123 ( -8.985 4.726 -3.633) 10.782 9.606 ( -15.533 -7.229 -3.338) 17.455 11.177 ( -6.361 -15.567 3.030) 17.087 11.914 ( 0.676 -0.050 1.381) 1.538 12.400 ( 18.828 19.110 7.110) 27.753 13.177 ( 24.237 6.864 -17.653) 30.760 13.621 ( 0.818 2.578 0.419) 2.737 14.303 ( 17.828 23.137 9.203) 30.624 19.037 ( -7.825 -24.675 14.522) 29.681 23.190 ( -4.914 12.858 8.064) 15.954 24.751 ( -2.513 -4.256 -1.451) 5.151 25.097 ( -22.176 -17.504 -15.849) 32.393 ======================= Grid point 152 (47/433) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 20.939 -38.563 -17.913) 47.396 2.616 ( 29.635 -4.636 25.487) 39.361 3.357 ( -14.278 -31.624 34.799) 49.141 4.834 ( 2.879 3.688 -0.431) 4.698 4.935 ( -1.584 -5.588 5.309) 7.869 5.458 ( -8.262 7.368 -3.215) 11.528 5.769 ( -4.550 7.958 6.105) 11.014 6.398 ( 12.359 -17.980 -1.009) 21.842 6.628 ( 1.271 17.038 -7.807) 18.784 7.409 ( 5.518 3.226 4.941) 8.079 8.046 ( -2.163 -3.176 7.732) 8.634 8.616 ( 1.637 0.278 -7.807) 7.982 8.926 ( -8.340 6.669 -1.746) 10.820 9.520 ( -12.100 -0.270 -4.352) 12.861 11.389 ( -6.279 -13.748 0.823) 15.136 11.970 ( 0.318 -5.440 2.711) 6.086 12.277 ( 10.574 15.296 6.582) 19.726 13.126 ( 17.926 11.116 -13.737) 25.172 13.592 ( 1.230 2.380 1.416) 3.030 14.125 ( 5.848 16.809 10.514) 20.671 19.542 ( -7.371 -33.318 14.036) 36.898 22.907 ( -6.062 20.076 9.430) 22.994 24.807 ( -0.643 -5.629 -3.970) 6.917 25.094 ( -10.966 -9.803 -14.998) 21.006 ======================= Grid point 153 (48/433) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 19.392 -32.188 -16.088) 40.878 3.062 ( 22.389 -8.397 13.813) 27.615 3.826 ( -8.260 -16.985 20.030) 27.530 4.801 ( 4.060 3.319 -1.199) 5.379 4.978 ( -8.944 -0.301 1.605) 9.092 5.333 ( -5.570 -2.555 1.196) 6.244 5.614 ( -2.432 9.781 7.428) 12.521 6.300 ( -2.138 15.857 -4.594) 16.647 6.817 ( 10.795 -17.691 2.234) 20.844 7.417 ( 3.408 2.214 -2.493) 4.768 8.117 ( -2.812 -1.347 8.310) 8.876 8.583 ( 0.913 -0.727 -9.295) 9.368 8.765 ( -5.535 4.161 3.083) 7.580 9.364 ( -7.664 4.231 -4.490) 9.839 11.511 ( -5.045 -6.880 -1.107) 8.603 12.137 ( 4.015 -4.842 4.535) 7.754 12.164 ( 1.549 3.282 3.484) 5.031 12.989 ( 13.732 13.709 -11.488) 22.549 13.582 ( 0.689 1.357 3.405) 3.730 13.956 ( -0.319 12.534 9.705) 15.856 20.164 ( -7.003 -38.142 13.518) 41.068 22.506 ( -6.037 26.568 9.122) 28.732 24.878 ( 0.434 -5.956 -6.337) 8.708 25.072 ( -4.428 -4.479 -10.743) 12.453 ======================= Grid point 154 (49/433) ======================= q-point: ( 0.42 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 6.950 -5.812 -0.287) 9.065 3.553 ( 18.043 -25.460 -8.857) 32.438 3.985 ( -0.534 -0.877 0.248) 1.057 4.766 ( 1.425 1.564 -7.802) 8.083 4.855 ( -3.139 6.749 3.743) 8.331 5.295 ( -10.880 5.901 6.923) 14.182 5.582 ( -0.192 -4.599 4.635) 6.532 6.046 ( -4.249 9.130 5.721) 11.582 7.170 ( 5.139 -9.659 3.162) 11.389 7.363 ( 1.903 0.769 -9.695) 9.910 8.119 ( -2.612 2.498 8.372) 9.119 8.575 ( 0.848 -3.275 -7.510) 8.237 8.694 ( -6.802 1.796 2.518) 7.472 9.244 ( 1.421 3.211 0.862) 3.616 11.535 ( -5.382 -3.197 -2.728) 6.828 12.076 ( 6.551 8.330 5.674) 12.021 12.389 ( -2.555 -15.869 -0.325) 16.077 12.797 ( 10.732 14.658 -10.139) 20.805 13.594 ( -1.142 0.313 6.794) 6.897 13.805 ( -3.615 8.265 7.250) 11.574 20.832 ( -6.833 -38.968 13.003) 41.644 22.001 ( -5.816 32.214 8.769) 33.889 24.930 ( -1.778 -5.446 -10.110) 11.621 25.068 ( 3.718 -1.057 -4.260) 5.752 ======================= Grid point 155 (50/433) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -9.913 4.281 -5.415) 12.079 3.734 ( 5.315 15.683 -13.030) 21.072 4.174 ( 13.266 -21.395 -11.244) 27.571 4.677 ( -1.928 3.423 -6.513) 7.606 4.773 ( 1.658 5.130 5.165) 7.466 5.098 ( -6.195 8.665 3.061) 11.082 5.633 ( -6.117 -0.302 4.387) 7.534 6.048 ( -2.717 -6.148 12.885) 14.533 7.120 ( -4.972 5.470 -8.536) 11.292 7.441 ( 3.132 -3.469 -4.628) 6.577 8.110 ( 0.197 3.316 8.362) 8.997 8.567 ( -6.331 1.093 -4.049) 7.594 8.650 ( 0.381 -5.594 -1.136) 5.721 9.315 ( 8.483 -1.772 8.686) 12.270 11.504 ( -6.733 -2.483 -4.631) 8.541 12.056 ( 6.116 4.742 5.828) 9.688 12.499 ( 4.741 10.974 -4.721) 12.852 12.696 ( 1.995 -9.999 -8.135) 13.044 13.611 ( -3.386 2.292 11.834) 12.521 13.707 ( -5.654 0.355 2.462) 6.177 21.405 ( -5.261 32.580 9.351) 34.301 21.488 ( -7.422 -32.448 12.056) 35.402 24.922 ( -2.831 -3.064 -9.565) 10.435 25.130 ( 10.349 -0.214 -2.157) 10.573 ======================= Grid point 156 (51/433) ======================= q-point: (-0.42 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -22.465 8.919 -13.997) 27.931 3.291 ( 8.196 29.858 -23.704) 38.994 4.256 ( -7.322 18.795 13.933) 24.515 4.697 ( -2.338 -5.278 3.856) 6.942 4.833 ( 9.912 -13.999 -15.212) 22.927 4.956 ( -2.120 4.069 -2.311) 5.137 5.604 ( -2.944 2.066 10.098) 10.719 6.220 ( -2.514 -8.669 4.282) 9.990 6.954 ( -5.581 1.627 -7.002) 9.101 7.394 ( -0.461 5.406 -6.604) 8.547 8.034 ( -1.532 7.763 0.281) 7.918 8.550 ( -1.155 -4.266 0.513) 4.449 8.798 ( 1.911 -9.103 4.183) 10.199 9.499 ( 9.759 -2.674 10.870) 14.851 11.461 ( -7.391 -3.880 -5.908) 10.227 12.074 ( 4.947 3.680 5.501) 8.263 12.247 ( 4.493 17.136 -5.296) 18.490 12.886 ( 1.278 -13.928 -11.099) 17.856 13.581 ( -4.123 2.266 8.285) 9.527 13.721 ( -8.178 -5.412 5.337) 11.165 20.764 ( -6.079 38.719 9.751) 40.388 22.066 ( -6.960 -31.545 11.795) 34.389 24.889 ( -1.837 -0.898 -6.665) 6.971 25.230 ( 14.728 0.518 -2.683) 14.979 ======================= Grid point 157 (52/433) ======================= q-point: (-0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -29.657 12.276 -19.671) 37.646 2.650 ( 9.740 37.766 -28.323) 48.201 3.813 ( -16.886 30.859 26.292) 43.916 4.749 ( -2.018 -2.969 2.373) 4.303 4.868 ( -1.087 2.021 -2.109) 3.117 5.121 ( 5.462 -15.520 -13.082) 21.020 5.625 ( 2.512 1.979 9.897) 10.401 6.287 ( -3.374 -2.105 -5.165) 6.518 6.899 ( -5.178 -4.123 -8.442) 10.727 7.253 ( 0.289 5.682 -1.362) 5.850 7.887 ( 0.107 6.618 -1.813) 6.862 8.630 ( 0.840 -4.048 -0.183) 4.138 9.015 ( 0.572 -10.315 7.918) 13.016 9.679 ( 9.917 -0.651 10.764) 14.650 11.442 ( -6.834 -5.157 -5.897) 10.396 11.928 ( 1.518 17.489 -1.497) 17.618 12.109 ( 2.082 1.655 0.707) 2.752 13.049 ( 3.013 -11.597 -16.497) 20.389 13.570 ( -3.545 -0.983 4.427) 5.756 13.772 ( -10.605 -6.250 7.900) 14.626 20.110 ( -6.669 37.686 10.929) 39.801 22.549 ( -6.703 -25.382 11.036) 28.477 24.847 ( -1.123 0.789 -3.953) 4.184 25.350 ( 18.961 1.627 -3.155) 19.290 ======================= Grid point 158 (53/433) ======================= q-point: (-0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -31.479 15.286 -21.157) 40.893 1.904 ( 8.336 41.207 -27.525) 50.251 3.218 ( -22.142 37.578 34.719) 55.748 4.774 ( 0.806 1.113 1.713) 2.196 4.877 ( -0.716 -4.767 2.517) 5.438 5.290 ( -0.052 -9.964 -12.847) 16.258 5.679 ( 5.917 1.407 5.365) 8.110 6.182 ( -5.729 4.961 -6.845) 10.212 6.842 ( -4.438 -1.288 -12.876) 13.680 7.242 ( 1.346 -1.404 3.324) 3.851 7.835 ( 4.402 0.788 1.158) 4.620 8.687 ( 0.096 -2.295 -0.799) 2.432 9.219 ( -1.442 -8.829 7.271) 11.528 9.812 ( 10.851 2.948 10.015) 15.058 11.407 ( -1.091 5.675 -0.566) 5.806 11.676 ( -8.736 2.403 -7.523) 11.777 12.095 ( -0.662 1.195 -0.386) 1.420 13.144 ( 4.257 -8.012 -22.894) 24.626 13.593 ( -2.592 -2.654 2.126) 4.276 13.822 ( -11.376 -6.042 9.034) 15.734 19.505 ( -7.336 32.891 12.279) 35.867 22.924 ( -6.001 -18.828 9.980) 22.138 24.800 ( -0.853 1.768 -1.735) 2.620 25.485 ( 23.025 3.020 -2.951) 23.409 ======================= Grid point 159 (54/433) ======================= q-point: (-0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -24.150 18.975 -14.547) 33.984 1.143 ( 0.281 36.911 -16.110) 40.275 2.526 ( -25.591 42.555 41.724) 64.859 4.768 ( 4.719 4.286 2.974) 7.034 5.018 ( 0.375 -9.086 3.633) 9.793 5.329 ( -1.260 -4.347 -12.041) 12.864 5.721 ( 6.574 3.737 -0.328) 7.569 5.998 ( -7.561 2.601 -4.741) 9.295 6.722 ( -3.116 6.036 -5.477) 8.726 7.326 ( -0.004 -7.024 0.821) 7.072 7.952 ( 8.672 -5.149 3.658) 10.728 8.700 ( -2.099 -0.585 0.381) 2.212 9.358 ( -2.799 -5.915 4.640) 8.022 9.886 ( 14.760 7.985 7.919) 18.556 11.207 ( 3.005 17.182 5.206) 18.203 11.617 ( -20.911 -14.819 -15.248) 29.822 12.044 ( -3.424 2.037 -1.731) 4.344 13.129 ( 5.191 -0.997 -28.462) 28.949 13.628 ( -1.652 -2.676 0.791) 3.243 13.878 ( -8.572 -5.613 10.065) 14.363 19.016 ( -7.978 24.381 13.554) 29.014 23.188 ( -4.456 -12.176 7.825) 15.144 24.756 ( -0.851 1.881 -0.118) 2.068 25.637 ( 25.418 3.326 -2.386) 25.746 ======================= Grid point 160 (55/433) ======================= q-point: (-0.08 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 4.569 12.699 22.320) 26.083 0.675 ( -16.286 4.053 29.846) 34.241 1.784 ( -27.241 44.676 48.380) 71.265 4.684 ( 1.925 11.722 -4.178) 12.592 5.116 ( -4.910 -6.575 -10.630) 13.429 5.381 ( 14.661 7.295 2.106) 16.511 5.766 ( 10.305 -10.711 19.198) 24.280 5.972 ( -2.599 -4.877 -2.681) 6.142 6.529 ( 3.268 14.543 2.884) 15.182 7.520 ( -0.208 -15.198 3.023) 15.497 8.196 ( 10.114 -12.556 3.102) 16.419 8.699 ( -5.132 -3.827 6.720) 9.281 9.416 ( -2.748 -1.668 0.916) 3.342 9.848 ( 17.053 20.051 -4.365) 26.681 11.007 ( 0.443 11.201 6.013) 12.721 11.540 ( -14.892 -6.924 -8.987) 18.721 11.964 ( -1.037 3.370 1.024) 3.672 12.961 ( 8.472 10.488 -21.802) 25.634 13.657 ( -0.827 -1.628 0.103) 1.829 13.999 ( 2.287 -7.057 10.622) 12.956 18.697 ( -8.480 12.950 14.489) 21.202 23.337 ( -0.745 -4.964 1.819) 5.339 24.724 ( -0.763 1.194 0.990) 1.728 25.772 ( 10.684 1.037 -8.917) 13.955 ======================= Grid point 162 (56/433) ======================= q-point: ( 0.08 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -12.369 -0.000 43.998) 45.703 1.412 ( -14.891 -0.000 52.993) 55.045 2.026 ( 35.510 0.000 38.363) 52.275 4.607 ( -0.413 -0.000 8.994) 9.003 5.280 ( 15.004 0.000 -15.232) 21.381 5.293 ( 0.908 0.000 -4.038) 4.139 6.004 ( 2.889 0.000 -2.919) 4.107 6.048 ( -17.846 -0.000 5.558) 18.691 7.125 ( 15.276 0.000 -4.542) 15.937 7.744 ( 3.089 0.000 -3.143) 4.406 8.142 ( -14.796 -0.000 1.402) 14.862 8.851 ( -9.813 -0.000 -13.402) 16.610 8.961 ( -3.410 -0.000 19.372) 19.670 9.352 ( -11.004 -0.000 -0.194) 11.006 10.874 ( -6.098 -0.000 4.262) 7.440 11.907 ( -2.468 -0.000 0.480) 2.514 12.836 ( 4.157 0.000 -3.887) 5.691 13.327 ( 36.919 0.000 -18.855) 41.455 13.672 ( 0.861 0.000 -0.042) 0.862 15.304 ( 73.028 0.000 -52.641) 90.024 18.600 ( -8.380 -0.000 15.290) 17.436 23.363 ( 2.785 0.000 -5.726) 6.368 24.287 ( -66.609 -0.000 38.000) 76.686 24.754 ( 1.157 0.000 2.758) 2.991 ======================= Grid point 163 (57/433) ======================= q-point: ( 0.17 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 4.841 0.636 25.480) 25.944 2.069 ( -15.129 -38.755 47.429) 63.090 2.550 ( 32.764 -1.170 33.038) 46.544 4.698 ( -0.660 -4.348 8.831) 9.866 5.094 ( 6.234 9.817 -9.027) 14.722 5.550 ( 2.494 -14.615 -13.956) 20.362 5.806 ( -8.779 7.907 4.528) 12.653 6.071 ( -2.304 -3.278 1.922) 4.444 7.115 ( 5.033 9.004 -5.330) 11.611 7.687 ( 4.178 8.641 4.187) 10.471 7.995 ( -8.794 2.485 4.360) 10.125 8.636 ( -4.703 2.376 -9.472) 10.839 9.088 ( -4.256 1.463 3.318) 5.591 9.333 ( -8.714 -9.336 2.128) 12.947 10.915 ( -7.688 -9.189 4.254) 12.714 11.889 ( -2.750 -0.728 -0.046) 2.845 12.779 ( 6.037 8.885 -1.954) 10.918 13.451 ( 22.613 6.003 -11.721) 26.168 13.669 ( 1.528 1.457 0.168) 2.118 15.153 ( 41.406 40.315 -25.831) 63.301 18.720 ( -8.375 -13.163 15.324) 21.868 23.339 ( -1.333 4.378 1.859) 4.939 24.230 ( -38.678 -26.171 9.365) 47.630 24.808 ( 0.734 -3.241 2.852) 4.379 ======================= Grid point 164 (58/433) ======================= q-point: ( 0.25 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 18.120 -26.169 -2.828) 31.956 2.832 ( -11.679 -35.857 41.020) 55.720 3.006 ( 25.777 -1.398 27.106) 37.431 4.801 ( -3.136 -4.423 5.002) 7.377 4.962 ( 3.204 5.275 -10.730) 12.378 5.460 ( -14.077 4.157 -0.821) 14.701 5.817 ( 0.181 -0.009 3.037) 3.042 6.205 ( 7.197 -13.124 -2.514) 15.178 6.883 ( -0.208 15.625 -6.102) 16.775 7.598 ( 3.850 8.701 5.212) 10.849 7.992 ( -3.495 -4.100 6.243) 8.246 8.540 ( -4.674 -1.883 -11.726) 12.763 8.954 ( -7.748 5.862 -0.561) 9.732 9.421 ( -0.547 -2.337 2.817) 3.701 11.072 ( -8.962 -14.850 3.662) 17.727 11.890 ( -2.763 -2.774 -0.124) 3.917 12.644 ( 6.611 12.871 0.439) 14.476 13.433 ( 17.132 10.712 -8.163) 21.792 13.658 ( 2.934 2.433 0.595) 3.857 14.692 ( 19.215 33.994 -5.112) 39.382 19.053 ( -8.091 -24.806 14.980) 30.087 23.187 ( -5.200 13.062 8.211) 16.281 24.399 ( -19.585 -23.654 -10.621) 32.495 24.894 ( 0.600 -4.442 1.420) 4.702 ======================= Grid point 165 (59/433) ======================= q-point: ( 0.33 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 21.203 -34.429 -14.996) 43.126 3.320 ( 20.263 2.234 16.637) 26.313 3.502 ( -10.937 -28.258 33.522) 45.187 4.812 ( -11.993 -2.238 -10.504) 16.099 4.850 ( -0.373 -0.072 -1.688) 1.731 5.333 ( -2.556 3.328 4.943) 6.484 5.755 ( -4.183 6.737 8.857) 11.889 6.470 ( 3.493 2.461 -15.375) 15.958 6.654 ( 4.357 -5.288 6.569) 9.492 7.515 ( 2.344 6.527 -0.806) 6.982 8.082 ( -3.381 -4.422 8.124) 9.848 8.473 ( -4.643 -2.840 -11.875) 13.063 8.786 ( -8.522 4.231 -0.434) 9.525 9.432 ( 6.210 5.211 3.114) 8.684 11.257 ( -9.235 -13.862 1.838) 16.758 11.947 ( -3.174 -7.440 0.403) 8.099 12.483 ( 6.400 13.499 2.056) 15.081 13.322 ( 14.538 14.496 -6.627) 21.573 13.646 ( 3.088 2.859 1.413) 4.439 14.317 ( 6.601 23.295 2.142) 24.306 19.560 ( -7.736 -33.435 14.430) 37.228 22.900 ( -5.908 20.231 9.124) 22.966 24.544 ( -10.959 -18.062 -14.547) 25.650 24.979 ( 1.906 -3.733 0.150) 4.194 ======================= Grid point 166 (60/433) ======================= q-point: ( 0.42 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 17.447 -29.373 -16.287) 37.848 3.453 ( 7.011 0.504 1.978) 7.302 3.926 ( -2.646 -11.284 16.785) 20.398 4.691 ( -7.494 -2.662 -9.222) 12.178 4.866 ( -5.573 -3.547 3.713) 7.578 5.294 ( -1.645 3.781 4.389) 6.022 5.651 ( -2.351 6.783 7.814) 10.611 6.200 ( -4.176 12.149 -2.506) 13.088 7.015 ( 7.813 -16.827 2.291) 18.693 7.387 ( -0.629 6.828 -8.141) 10.644 8.151 ( -3.471 -1.582 10.130) 10.825 8.438 ( -2.859 -4.823 -10.318) 11.743 8.648 ( -9.835 1.986 -1.927) 10.217 9.428 ( 12.428 7.182 6.118) 15.603 11.364 ( -8.829 -7.750 -0.617) 11.764 12.095 ( -3.995 -13.039 0.680) 13.655 12.342 ( 6.148 10.711 2.592) 12.619 13.141 ( 12.906 17.301 -6.028) 22.410 13.635 ( 1.507 2.092 2.332) 3.476 14.035 ( -0.339 16.080 5.462) 16.986 20.181 ( -7.517 -38.158 13.772) 41.258 22.498 ( -5.577 26.619 8.718) 28.560 24.653 ( -6.748 -13.434 -13.709) 20.345 25.063 ( 4.287 -3.215 -0.557) 5.388 ======================= Grid point 167 (61/433) ======================= q-point: ( 0.50 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -8.622 4.830 -10.009) 14.066 3.726 ( 14.104 -25.673 -13.969) 32.452 4.003 ( 5.324 5.914 -4.854) 9.321 4.651 ( -1.191 0.127 -4.010) 4.185 4.892 ( -3.215 -0.523 4.086) 5.226 5.194 ( -8.783 7.257 10.751) 15.665 5.571 ( -2.583 2.113 -0.754) 3.421 6.052 ( -4.907 1.941 10.022) 11.326 7.146 ( -4.338 7.613 -6.187) 10.726 7.350 ( 5.752 -9.142 -5.493) 12.118 8.197 ( -1.249 0.877 11.500) 11.601 8.471 ( -2.066 -5.794 -9.555) 11.364 8.517 ( -8.285 -0.937 -1.968) 8.567 9.501 ( 14.585 3.961 9.686) 17.951 11.362 ( -8.795 -3.093 -2.514) 9.656 12.222 ( 1.967 3.181 3.496) 5.120 12.347 ( 0.223 -11.757 -2.132) 11.951 12.911 ( 10.750 18.680 -5.409) 22.221 13.630 ( -1.139 0.369 2.844) 3.086 13.820 ( -3.614 11.439 8.071) 14.459 20.844 ( -7.478 -38.909 13.021) 41.706 21.995 ( -5.271 32.292 8.580) 33.826 24.729 ( -3.932 -9.287 -11.183) 15.058 25.165 ( 7.038 -3.487 -1.700) 8.036 ======================= Grid point 168 (62/433) ======================= q-point: (-0.42 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -20.025 12.277 -14.499) 27.603 3.717 ( 10.233 23.129 -16.074) 29.967 4.278 ( 11.163 -24.460 -11.768) 29.349 4.572 ( -4.527 5.111 -1.073) 6.911 4.848 ( 0.105 5.068 2.264) 5.551 5.034 ( -5.923 8.721 9.143) 13.954 5.556 ( -6.572 -4.828 3.712) 8.960 6.112 ( -3.536 -5.088 8.569) 10.574 6.932 ( -4.219 6.412 -7.658) 10.843 7.434 ( 2.553 0.832 -5.197) 5.850 8.150 ( -2.406 7.330 1.131) 7.797 8.471 ( -1.781 -4.519 2.644) 5.530 8.621 ( -1.360 -11.919 -1.352) 12.073 9.647 ( 12.396 0.645 10.724) 16.404 11.303 ( -8.629 -1.988 -3.685) 9.591 12.194 ( 3.081 3.694 2.116) 5.255 12.536 ( 2.694 -3.303 -3.154) 5.303 12.674 ( 5.474 8.515 -6.340) 11.944 13.620 ( -4.596 -0.020 0.164) 4.599 13.684 ( -4.273 5.788 13.152) 14.991 21.406 ( -5.505 35.755 8.776) 37.225 21.488 ( -7.313 -35.432 12.496) 38.275 24.777 ( -1.732 -5.696 -8.172) 10.111 25.291 ( 9.764 -3.929 -3.483) 11.086 ======================= Grid point 169 (63/433) ======================= q-point: (-0.33 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -21.707 15.793 -15.468) 30.982 3.218 ( 12.568 33.875 -24.613) 43.718 4.260 ( -11.489 21.447 17.404) 29.915 4.670 ( -2.368 -10.429 -1.077) 10.749 4.845 ( 4.847 -6.907 -7.186) 11.083 4.924 ( 0.320 3.307 2.123) 3.943 5.638 ( -2.960 -5.789 6.144) 8.946 6.190 ( -2.987 -3.971 0.189) 4.972 6.795 ( -1.357 1.739 -8.713) 8.988 7.357 ( 0.958 5.975 -1.554) 6.248 7.996 ( -1.111 7.414 -0.732) 7.532 8.564 ( 0.863 -4.711 0.524) 4.818 8.837 ( -1.852 -13.292 4.011) 14.007 9.803 ( 8.408 -0.982 9.604) 12.802 11.250 ( -7.610 -3.380 -4.121) 9.290 12.169 ( 1.721 2.902 -1.089) 3.545 12.316 ( 5.358 21.162 1.119) 21.858 12.794 ( 2.646 -12.628 -11.828) 17.503 13.561 ( -4.582 0.990 2.522) 5.323 13.680 ( -6.699 -1.067 12.580) 14.292 20.764 ( -5.770 38.822 10.031) 40.510 22.062 ( -7.319 -31.562 11.441) 34.360 24.801 ( -0.299 -2.583 -5.340) 5.939 25.436 ( 12.087 -4.281 -5.861) 14.099 ======================= Grid point 170 (64/433) ======================= q-point: (-0.25 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -15.377 19.111 -10.102) 26.528 2.556 ( 13.566 40.691 -27.838) 51.134 3.801 ( -17.353 30.913 28.117) 45.247 4.731 ( -4.230 -3.510 4.250) 6.948 4.874 ( 0.246 0.487 3.289) 3.334 5.076 ( 5.539 -11.162 -7.482) 14.534 5.732 ( 0.391 -2.931 3.245) 4.390 6.186 ( -1.419 1.796 -2.118) 3.118 6.726 ( 1.544 -1.024 -14.901) 15.015 7.285 ( 0.240 3.387 3.176) 4.649 7.903 ( 1.002 3.381 2.814) 4.512 8.639 ( 1.138 -3.291 -1.859) 3.948 9.053 ( -3.243 -11.705 4.406) 12.920 9.930 ( 4.096 -1.672 7.167) 8.422 11.242 ( -5.365 -5.264 -3.369) 8.236 11.964 ( 2.081 21.031 -1.024) 21.159 12.149 ( 0.640 4.201 2.146) 4.761 12.941 ( 5.651 -9.180 -17.189) 20.289 13.545 ( -3.147 -1.475 2.507) 4.285 13.720 ( -8.182 -3.217 13.882) 16.432 20.112 ( -6.394 37.813 11.363) 39.998 22.544 ( -6.906 -25.634 10.674) 28.614 24.801 ( 0.362 -0.070 -2.913) 2.936 25.586 ( 12.944 -4.512 -9.171) 16.493 ======================= Grid point 171 (65/433) ======================= q-point: (-0.17 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.787 20.000 6.468) 21.204 1.808 ( 13.446 43.780 -25.738) 52.535 3.219 ( -20.562 37.717 36.539) 56.396 4.786 ( -1.330 -3.557 2.302) 4.441 4.903 ( -3.819 -2.555 2.385) 5.177 5.282 ( 10.454 -7.976 4.632) 13.941 5.782 ( 0.882 -2.432 -1.197) 2.851 6.059 ( 1.743 11.317 -3.922) 12.104 6.714 ( 2.333 -2.916 -9.566) 10.269 7.263 ( -0.651 0.107 0.865) 1.088 7.942 ( 2.041 -3.139 5.349) 6.529 8.673 ( 0.360 -1.308 -2.450) 2.800 9.213 ( -4.763 -9.134 2.395) 10.576 10.006 ( -0.832 -1.803 2.626) 3.292 11.303 ( 0.570 -6.179 0.032) 6.206 11.611 ( 0.277 21.558 3.011) 21.769 12.092 ( -0.227 3.666 0.754) 3.750 13.017 ( 8.588 -4.550 -20.990) 23.131 13.572 ( -1.682 -2.717 1.460) 3.513 13.800 ( -6.053 -4.845 15.257) 17.114 19.511 ( -7.095 33.034 12.750) 36.113 22.921 ( -6.147 -19.252 9.823) 22.471 24.781 ( 0.460 1.508 -0.985) 1.859 25.706 ( 9.397 -4.194 -14.446) 17.736 ======================= Grid point 172 (66/433) ======================= q-point: (-0.08 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 17.244 31.944 -2.921) 36.419 1.147 ( 20.812 19.794 20.454) 35.261 2.559 ( -22.038 42.464 43.731) 64.817 4.791 ( -2.394 5.325 0.968) 5.919 4.923 ( -3.061 -6.936 -2.436) 7.963 5.649 ( 16.467 -10.382 15.724) 25.024 5.819 ( 8.527 11.056 -7.037) 15.636 5.861 ( -2.251 -4.922 0.063) 5.413 6.731 ( 6.714 1.836 -0.336) 6.968 7.322 ( -0.839 -8.193 2.204) 8.525 8.063 ( -1.505 -6.990 2.949) 7.735 8.669 ( -0.831 -0.017 -1.130) 1.403 9.297 ( -6.460 -6.070 -0.546) 8.881 9.950 ( -11.721 3.392 -5.828) 13.522 11.244 ( -5.149 15.867 2.282) 16.837 11.591 ( 26.001 -8.993 11.594) 29.855 12.046 ( 3.217 2.713 2.387) 4.838 13.035 ( 14.072 0.330 -21.471) 25.673 13.614 ( -0.540 -2.665 0.466) 2.759 13.967 ( 2.551 -8.480 15.556) 17.900 19.023 ( -7.746 24.550 13.974) 29.291 23.190 ( -4.672 -12.549 7.914) 15.555 24.752 ( 0.207 1.925 0.427) 1.982 25.669 ( -7.908 1.576 -21.993) 23.424 ======================= Grid point 175 (67/433) ======================= q-point: ( 0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -3.906 -0.000 36.775) 36.982 1.720 ( -12.429 -0.000 48.180) 49.758 3.009 ( 31.205 0.000 28.771) 42.444 4.718 ( 0.645 0.000 8.754) 8.778 5.244 ( -2.151 -0.000 -23.488) 23.586 5.261 ( 1.120 0.000 -4.708) 4.840 5.812 ( -8.245 -0.000 6.276) 10.361 6.044 ( 2.858 0.000 0.802) 2.969 7.189 ( -0.920 -0.000 -4.336) 4.432 7.772 ( 1.573 0.000 0.774) 1.753 7.979 ( -7.235 -0.000 4.390) 8.463 8.491 ( -11.786 -0.000 -14.119) 18.392 9.112 ( -12.019 -0.000 -4.576) 12.861 9.267 ( 12.785 0.000 17.378) 21.575 10.786 ( -8.659 -0.000 4.535) 9.774 11.852 ( -3.446 -0.000 -0.559) 3.491 12.872 ( 4.454 0.000 -4.134) 6.077 13.624 ( 15.948 0.000 -6.723) 17.307 13.695 ( 1.458 0.000 0.317) 1.492 15.674 ( 31.241 0.000 -45.799) 55.440 18.614 ( -8.690 -0.000 15.715) 17.958 23.348 ( 2.421 0.000 -5.728) 6.219 23.768 ( -34.901 -0.000 29.339) 45.595 24.814 ( 1.622 0.000 3.363) 3.734 ======================= Grid point 176 (68/433) ======================= q-point: ( 0.25 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 6.547 1.088 20.968) 21.993 2.312 ( -13.820 -35.905 44.996) 59.201 3.408 ( 26.977 1.733 22.869) 35.409 4.732 ( -7.486 -0.970 -5.070) 9.093 4.973 ( -5.664 6.458 -12.299) 15.002 5.341 ( -4.810 -5.829 0.834) 7.603 5.845 ( 5.509 -2.266 2.334) 6.397 6.097 ( 3.185 -3.352 0.441) 4.645 7.051 ( -4.070 9.399 -5.820) 11.781 7.761 ( -0.210 4.925 2.954) 5.747 7.942 ( -3.248 -0.996 5.550) 6.507 8.351 ( -9.117 -3.786 -13.290) 16.556 8.939 ( -11.166 3.603 -4.791) 12.673 9.506 ( 14.061 -0.686 13.540) 19.533 10.803 ( -9.694 -8.715 4.778) 13.883 11.825 ( -3.528 -1.231 -0.845) 3.830 12.839 ( 4.745 5.914 -3.846) 8.502 13.657 ( 8.091 5.283 -2.742) 10.044 13.730 ( 7.126 0.884 -0.568) 7.203 15.378 ( 18.190 29.933 -28.792) 45.342 18.734 ( -8.646 -13.254 15.637) 22.247 23.333 ( -1.620 3.899 1.980) 4.663 23.792 ( -21.663 -18.648 8.406) 29.794 24.866 ( 1.525 -2.137 3.182) 4.126 ======================= Grid point 177 (69/433) ======================= q-point: ( 0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 16.566 -21.614 -1.801) 27.292 3.040 ( -13.769 -35.776 41.038) 56.157 3.647 ( 15.877 6.566 11.807) 20.847 4.545 ( -17.713 -3.813 -18.322) 25.767 4.847 ( -0.826 2.857 -1.314) 3.252 5.406 ( 1.886 0.049 7.976) 8.196 5.889 ( 0.295 4.930 8.516) 9.845 6.287 ( 8.229 -13.900 -9.044) 18.513 6.785 ( -4.105 11.826 -3.617) 13.031 7.644 ( -1.661 7.837 0.418) 8.022 8.016 ( -2.070 -4.746 7.391) 9.024 8.290 ( -6.180 -4.788 -11.766) 14.126 8.749 ( -10.773 3.678 -4.529) 12.251 9.666 ( 15.371 5.198 10.185) 19.158 10.938 ( -10.379 -14.119 4.644) 18.128 11.827 ( -3.461 -3.457 -0.608) 4.929 12.728 ( 4.896 9.769 -3.012) 11.335 13.599 ( 7.363 8.089 -2.024) 11.123 13.755 ( 6.887 3.993 0.879) 8.009 14.850 ( 9.631 31.097 -13.337) 35.181 19.068 ( -8.368 -24.911 15.163) 30.340 23.179 ( -5.432 13.131 8.193) 16.403 24.009 ( -11.821 -22.750 -7.897) 26.826 24.943 ( 1.682 -3.314 2.229) 4.334 ======================= Grid point 178 (70/433) ======================= q-point: ( 0.42 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 19.450 -30.682 -13.766) 38.848 3.543 ( -7.779 8.043 -6.478) 12.929 3.690 ( -8.928 -26.348 31.625) 42.120 4.477 ( -4.512 -7.167 -5.120) 9.897 4.797 ( -2.570 0.591 -1.435) 3.003 5.428 ( 4.896 5.565 3.819) 8.338 5.817 ( -1.983 8.309 11.948) 14.688 6.317 ( -3.410 8.361 -11.208) 14.393 6.805 ( 6.453 -15.035 1.262) 16.410 7.474 ( -3.102 8.807 -3.951) 10.139 8.120 ( -2.042 -4.512 8.181) 9.563 8.268 ( -3.787 -4.971 -9.533) 11.399 8.579 ( -9.818 2.532 -3.936) 10.876 9.739 ( 16.077 8.455 8.450) 20.034 11.107 ( -10.140 -12.966 3.399) 16.807 11.884 ( -3.618 -7.665 0.019) 8.476 12.579 ( 4.731 10.860 -2.133) 12.036 13.490 ( 8.880 12.590 -1.782) 15.509 13.732 ( 4.440 5.326 1.164) 7.031 14.393 ( 2.960 23.622 -4.068) 24.152 19.574 ( -8.102 -33.444 14.434) 37.316 22.891 ( -5.628 20.115 8.692) 22.624 24.232 ( -6.970 -19.646 -11.580) 23.846 25.032 ( 2.509 -3.976 0.841) 4.777 ======================= Grid point 179 (71/433) ======================= q-point: ( 0.50 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 3.414 -10.606 -14.848) 18.563 3.325 ( -2.297 -13.379 -19.316) 23.609 4.095 ( 1.975 -6.562 14.583) 16.113 4.582 ( -2.522 -8.479 4.199) 9.793 4.764 ( -6.741 -2.079 0.885) 7.110 5.339 ( 2.080 9.382 -0.225) 9.613 5.699 ( -1.239 10.896 7.637) 13.363 6.100 ( -6.385 5.180 1.665) 8.388 7.150 ( 5.850 -14.590 -0.255) 15.721 7.251 ( -3.301 8.983 -7.644) 12.248 8.226 ( -1.221 -4.654 9.328) 10.495 8.285 ( -1.830 -5.199 -8.576) 10.194 8.439 ( -8.204 1.692 -2.997) 8.896 9.786 ( 14.861 7.426 7.919) 18.404 11.200 ( -9.196 -6.633 1.506) 11.438 12.028 ( -3.615 -12.897 0.220) 13.396 12.437 ( 4.278 8.909 -1.900) 10.064 13.306 ( 9.414 17.825 -2.055) 20.263 13.678 ( 1.752 4.362 -0.404) 4.718 14.063 ( -1.913 15.960 3.917) 16.545 20.189 ( -7.955 -38.031 13.509) 41.136 22.494 ( -5.144 26.455 8.483) 28.254 24.421 ( -3.605 -15.507 -10.748) 19.209 25.135 ( 3.931 -4.772 -0.892) 6.246 ======================= Grid point 180 (72/433) ======================= q-point: (-0.42 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -15.822 12.159 -14.094) 24.430 3.791 ( 13.617 -32.460 -19.266) 40.128 4.082 ( 10.589 15.152 -7.523) 19.958 4.647 ( -1.643 4.758 4.369) 6.665 4.806 ( -8.220 -8.540 3.220) 12.283 5.191 ( -4.655 6.695 6.204) 10.246 5.532 ( -2.843 8.713 6.187) 11.058 6.056 ( -5.019 -2.098 5.546) 7.769 7.012 ( -2.997 9.885 -2.757) 10.691 7.387 ( 4.625 -7.152 -5.519) 10.149 8.230 ( -2.946 4.428 -5.087) 7.360 8.384 ( -0.826 -9.505 6.873) 11.759 8.408 ( -2.772 -5.594 -1.233) 6.364 9.848 ( 10.932 4.297 7.320) 13.840 11.192 ( -7.771 -1.771 0.272) 7.975 12.220 ( -2.154 -9.390 -0.424) 9.643 12.360 ( 3.341 -0.226 -3.605) 4.920 13.044 ( 7.580 20.391 -2.385) 21.885 13.614 ( -0.772 3.009 -1.837) 3.609 13.853 ( -4.331 10.335 10.876) 15.616 20.843 ( -7.863 -38.698 12.418) 41.395 21.996 ( -4.920 32.178 8.796) 33.719 24.575 ( -0.841 -11.258 -8.459) 14.107 25.256 ( 5.508 -5.723 -3.156) 8.547 ======================= Grid point 181 (73/433) ======================= q-point: (-0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -10.466 15.791 -9.330) 21.117 3.747 ( 13.589 27.872 -19.008) 36.370 4.308 ( 7.912 -25.463 -15.103) 30.644 4.505 ( -6.595 10.163 8.622) 14.870 4.811 ( -1.206 0.336 -3.631) 3.841 5.099 ( -4.364 8.411 16.177) 18.748 5.503 ( -4.278 -5.640 5.970) 9.260 6.090 ( -3.969 -4.327 -0.223) 5.876 6.844 ( 0.215 7.275 -0.795) 7.322 7.430 ( 2.595 1.803 -4.075) 5.157 8.094 ( -1.220 5.789 -3.044) 6.653 8.487 ( -0.287 -5.467 -0.339) 5.485 8.607 ( -1.691 -12.995 5.654) 14.272 9.909 ( 4.845 1.452 5.606) 7.551 11.151 ( -5.067 -0.840 0.271) 5.144 12.221 ( 0.738 2.924 -2.702) 4.050 12.522 ( 2.439 -13.397 -6.360) 15.030 12.738 ( 4.406 20.493 -1.330) 21.003 13.547 ( -3.039 1.800 -0.073) 3.533 13.745 ( -5.198 5.382 13.430) 15.373 21.398 ( -5.462 24.973 8.251) 26.862 21.493 ( -7.337 -24.549 12.767) 28.627 24.693 ( 1.169 -7.041 -5.910) 9.266 25.391 ( 6.599 -6.462 -6.140) 11.091 ======================= Grid point 182 (74/433) ======================= q-point: (-0.25 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.868 18.374 0.523) 18.476 3.205 ( 15.383 36.710 -24.670) 46.828 4.208 ( -13.216 18.304 14.486) 26.824 4.621 ( -0.701 -7.856 -1.101) 7.964 4.874 ( 4.019 -8.858 -0.877) 9.767 5.021 ( 1.845 5.291 10.487) 11.890 5.628 ( -3.429 -7.811 2.227) 8.817 6.136 ( -1.263 -5.684 -2.106) 6.192 6.734 ( 3.784 6.583 -6.331) 9.886 7.376 ( 1.130 4.466 0.663) 4.655 7.995 ( 0.281 4.676 1.916) 5.062 8.571 ( 0.857 -4.685 -2.445) 5.353 8.831 ( -3.470 -12.529 3.997) 13.601 9.940 ( -2.000 -0.798 2.728) 3.475 11.155 ( -0.360 -2.420 1.903) 3.100 12.148 ( 0.243 4.279 -5.075) 6.642 12.411 ( 2.060 20.301 2.561) 20.566 12.732 ( 4.824 -11.914 -11.732) 17.403 13.511 ( -3.358 -0.406 2.740) 4.353 13.714 ( -5.999 1.013 13.808) 15.089 20.773 ( -5.635 38.843 10.610) 40.658 22.050 ( -7.327 -31.629 10.779) 34.209 24.769 ( 2.199 -3.114 -3.595) 5.240 25.519 ( 6.183 -6.514 -10.124) 13.534 ======================= Grid point 183 (75/433) ======================= q-point: (-0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 17.723 17.161 14.488) 28.610 2.540 ( 16.965 42.023 -25.900) 52.197 3.790 ( -16.415 27.858 26.386) 41.734 4.697 ( -1.882 -4.846 1.786) 5.497 4.931 ( -0.540 3.586 8.077) 8.853 5.225 ( 10.402 -12.743 4.688) 17.104 5.685 ( -5.129 -4.239 -2.473) 7.099 6.232 ( 4.334 -0.556 4.263) 6.104 6.624 ( 5.272 2.115 -15.428) 16.441 7.316 ( 0.165 4.261 2.372) 4.880 7.971 ( 0.460 1.349 6.483) 6.638 8.628 ( 1.243 -2.900 -3.957) 5.061 9.002 ( -5.460 -10.683 1.106) 12.048 9.925 ( -8.360 -2.124 -0.849) 8.667 11.265 ( 6.694 -5.325 5.140) 9.979 11.963 ( -0.054 16.083 -2.029) 16.210 12.178 ( -0.511 8.239 2.681) 8.680 12.887 ( 8.594 -8.231 -16.259) 20.148 13.526 ( -1.858 -2.031 2.859) 3.969 13.760 ( -5.280 -3.526 15.214) 16.486 20.124 ( -6.348 37.922 12.050) 40.294 22.532 ( -6.808 -25.977 10.149) 28.708 24.800 ( 2.334 0.036 -1.707) 2.891 25.592 ( 2.408 -4.797 -15.405) 16.314 ======================= Grid point 184 (76/433) ======================= q-point: (-0.08 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 28.036 15.654 17.595) 36.615 1.855 ( 20.183 38.329 -12.750) 45.156 3.264 ( -17.926 35.381 36.101) 53.632 4.792 ( 1.105 -6.117 0.089) 6.217 4.886 ( -1.989 5.556 6.568) 8.830 5.563 ( 3.454 -11.934 3.881) 13.015 5.729 ( -1.791 -8.627 4.032) 9.690 6.172 ( 11.565 16.150 -0.998) 19.888 6.674 ( 3.978 -10.076 -9.612) 14.483 7.284 ( 1.616 0.839 3.529) 3.971 8.005 ( -1.727 -0.908 6.496) 6.783 8.648 ( 1.220 -0.990 -4.554) 4.817 9.103 ( -7.398 -8.244 -1.864) 11.232 9.831 ( -13.961 0.271 -4.225) 14.588 11.431 ( 2.283 4.801 2.132) 5.728 11.760 ( 11.252 3.565 9.773) 15.324 12.109 ( 1.518 1.007 1.589) 2.417 13.007 ( 13.865 -5.693 -18.194) 23.573 13.569 ( -0.324 -2.626 1.391) 2.989 13.918 ( 0.158 -8.708 15.600) 17.866 19.524 ( -7.116 33.172 13.398) 36.476 22.915 ( -6.148 -19.711 9.637) 22.786 24.795 ( 1.738 2.013 -0.425) 2.693 25.509 ( -7.746 1.997 -20.863) 22.344 ======================= Grid point 188 (77/433) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -1.720 -0.000 31.503) 31.550 1.992 ( -12.356 -0.000 42.324) 44.091 3.779 ( 24.713 0.000 18.597) 30.928 4.470 ( -25.249 -0.000 -26.451) 36.567 5.030 ( 0.589 0.000 8.806) 8.826 5.238 ( 1.176 0.000 -3.251) 3.457 5.886 ( 8.881 0.000 -0.987) 8.936 6.125 ( 2.947 0.000 4.040) 5.001 7.044 ( -7.153 -0.000 -7.428) 10.312 7.814 ( -1.856 -0.000 6.378) 6.642 7.947 ( -2.334 -0.000 4.739) 5.282 8.152 ( -7.373 -0.000 -14.177) 15.979 8.830 ( -11.689 -0.000 -6.612) 13.430 9.739 ( 17.346 0.000 15.778) 23.449 10.667 ( -9.699 -0.000 4.890) 10.862 11.776 ( -3.592 -0.000 -1.167) 3.777 12.906 ( 4.701 0.000 -5.045) 6.896 13.729 ( 1.456 0.000 0.827) 1.674 13.827 ( 12.079 0.000 -2.024) 12.247 15.578 ( 9.097 0.000 -35.152) 36.310 18.626 ( -8.906 -0.000 15.892) 18.217 23.328 ( 2.294 0.000 -5.737) 6.178 23.554 ( -19.241 -0.000 19.390) 27.316 24.879 ( 1.238 0.000 3.537) 3.747 ======================= Grid point 189 (78/433) ======================= q-point: ( 0.33 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 4.594 1.265 17.325) 17.968 2.530 ( -14.503 -34.074 41.356) 55.513 3.895 ( -6.969 10.307 -9.502) 15.655 4.220 ( -2.127 -8.548 -6.287) 10.822 4.957 ( 1.307 9.379 3.158) 9.982 5.396 ( 2.764 -9.733 6.334) 11.937 5.980 ( 7.034 -0.784 -0.092) 7.078 6.181 ( 5.394 -2.174 0.133) 5.817 6.864 ( -7.420 6.976 -8.268) 13.118 7.746 ( -6.040 6.683 3.522) 9.672 7.983 ( 0.218 -2.587 6.470) 6.971 8.091 ( -3.347 -5.117 -11.167) 12.731 8.671 ( -10.757 2.142 -5.886) 12.448 9.954 ( 16.567 2.890 12.828) 21.151 10.676 ( -9.939 -8.154 5.169) 13.856 11.751 ( -3.298 -1.503 -0.997) 3.760 12.875 ( 4.763 5.151 -5.294) 8.789 13.723 ( 2.240 2.831 0.528) 3.648 13.902 ( 10.399 2.935 -0.081) 10.806 15.268 ( 4.451 20.274 -26.010) 33.277 18.746 ( -8.835 -13.319 15.672) 22.384 23.323 ( -1.880 3.588 2.118) 4.571 23.574 ( -11.224 -12.253 4.894) 17.322 24.924 ( 0.937 -1.894 3.111) 3.760 ======================= Grid point 190 (79/433) ======================= q-point: ( 0.42 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 13.196 -19.310 -2.762) 23.551 3.211 ( -16.022 -35.550 39.076) 55.204 3.472 ( -22.509 7.305 -21.812) 32.183 4.404 ( 10.416 -3.932 2.533) 11.418 4.841 ( 0.090 6.028 1.406) 6.190 5.563 ( 5.495 -0.102 5.495) 7.772 5.988 ( -0.819 4.946 8.639) 9.988 6.284 ( 4.165 -1.888 -12.345) 13.164 6.686 ( -1.714 -1.537 -3.325) 4.045 7.571 ( -5.922 8.113 -0.031) 10.045 8.066 ( 1.927 -3.246 -4.546) 5.909 8.115 ( -3.630 -5.404 3.005) 7.170 8.514 ( -8.977 2.280 -3.809) 10.014 10.070 ( 15.276 7.361 8.560) 18.996 10.803 ( -10.342 -13.573 5.456) 17.915 11.760 ( -3.041 -3.641 -0.405) 4.761 12.769 ( 4.597 8.734 -5.069) 11.095 13.685 ( 3.644 5.056 0.200) 6.236 13.905 ( 7.608 6.908 1.025) 10.327 14.790 ( 2.380 24.405 -15.242) 28.872 19.078 ( -8.616 -24.912 15.035) 30.346 23.168 ( -5.376 13.017 7.913) 16.154 23.783 ( -4.896 -19.513 -6.373) 21.103 24.992 ( 1.011 -3.331 1.949) 3.989 ======================= Grid point 191 (80/433) ======================= q-point: ( 0.50 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 15.397 -26.656 -14.061) 33.843 3.061 ( -17.299 4.064 -18.886) 25.932 3.842 ( -14.153 -30.748 33.465) 47.599 4.511 ( 6.003 0.384 -3.757) 7.092 4.776 ( -0.294 3.325 3.858) 5.102 5.533 ( 5.275 10.120 -3.334) 11.889 5.932 ( -0.362 8.063 12.391) 14.788 6.114 ( -6.750 6.896 -8.126) 12.616 6.902 ( 5.831 -17.432 -4.436) 18.909 7.369 ( -4.518 9.739 0.011) 10.736 8.087 ( 0.667 -4.832 -12.868) 13.761 8.225 ( -2.170 -4.788 11.370) 12.527 8.395 ( -6.218 1.940 -1.048) 6.597 10.090 ( 12.305 8.994 5.088) 16.068 10.971 ( -9.407 -12.370 4.819) 16.271 11.824 ( -2.848 -7.564 0.164) 8.084 12.620 ( 4.037 9.948 -4.704) 11.721 13.609 ( 5.200 9.499 0.023) 10.829 13.815 ( 3.882 9.468 -1.070) 10.288 14.363 ( 0.272 20.136 -4.669) 20.671 19.579 ( -8.400 -33.308 14.061) 37.117 22.885 ( -5.205 19.778 8.325) 22.081 24.042 ( -1.882 -19.101 -8.369) 20.938 25.077 ( 1.586 -4.571 0.200) 4.843 ======================= Grid point 192 (81/433) ======================= q-point: ( 0.58 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -7.288 9.299 -9.715) 15.296 3.244 ( 13.657 -32.855 -20.685) 41.156 4.300 ( 1.381 -7.271 16.154) 17.769 4.504 ( -7.974 -8.697 -1.298) 11.870 4.739 ( -1.319 4.026 5.817) 7.197 5.317 ( 1.224 12.786 -9.131) 15.759 5.789 ( -1.022 14.462 11.327) 18.398 5.993 ( -6.411 -1.310 0.332) 6.552 7.143 ( -0.271 2.886 -4.894) 5.688 7.237 ( 3.444 -7.027 1.411) 7.952 8.109 ( -0.513 -5.879 -14.544) 15.696 8.319 ( -3.321 -1.207 0.262) 3.543 8.362 ( -0.778 -2.812 13.590) 13.900 10.060 ( 7.222 7.363 2.674) 10.655 11.077 ( -6.961 -6.070 3.774) 9.977 11.974 ( -2.261 -12.614 -0.075) 12.815 12.468 ( 3.141 8.443 -4.772) 10.194 13.421 ( 5.040 17.784 -2.037) 18.597 13.684 ( 1.422 6.409 -3.492) 7.436 14.071 ( -2.602 13.871 6.032) 15.348 20.185 ( -8.187 -37.790 12.840) 40.743 22.496 ( -4.825 26.151 8.595) 27.947 24.296 ( 0.954 -16.183 -7.429) 17.833 25.178 ( 2.408 -5.764 -2.116) 6.595 ======================= Grid point 193 (82/433) ======================= q-point: (-0.33 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 2.627 13.528 -1.087) 13.823 3.805 ( 11.376 -30.072 -20.386) 38.070 4.206 ( 13.540 18.205 -11.586) 25.475 4.602 ( -9.469 1.706 7.460) 12.175 4.752 ( -2.283 -4.773 3.745) 6.482 5.130 ( -5.683 0.544 2.294) 6.152 5.611 ( -2.633 11.721 14.148) 18.560 5.976 ( -4.465 -2.741 -2.693) 5.891 7.013 ( 1.258 9.152 5.839) 10.929 7.400 ( 3.782 -5.570 -5.944) 8.981 8.094 ( -1.152 -1.477 -10.217) 10.387 8.356 ( -0.150 -5.787 -1.705) 6.035 8.503 ( -0.936 -5.387 13.015) 14.117 10.001 ( 0.232 4.669 0.476) 4.699 11.110 ( -2.987 -1.686 3.654) 5.012 12.173 ( -1.097 -10.393 -2.175) 10.675 12.365 ( 2.492 1.035 -5.505) 6.131 13.113 ( 3.253 20.156 -3.327) 20.686 13.583 ( -0.073 4.650 -1.776) 4.978 13.891 ( -5.034 9.256 11.467) 15.573 20.830 ( -7.856 -38.436 11.477) 40.875 22.007 ( -4.855 31.949 9.417) 33.660 24.520 ( 3.339 -11.923 -5.556) 13.572 25.289 ( 2.912 -6.641 -5.098) 8.864 ======================= Grid point 194 (83/433) ======================= q-point: (-0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 13.854 15.745 7.826) 22.385 3.788 ( 14.031 28.497 -19.862) 37.463 4.233 ( 0.644 -10.791 -11.957) 16.119 4.536 ( -0.271 -0.295 7.603) 7.614 4.770 ( 0.973 -3.430 -2.688) 4.465 5.174 ( -6.065 -0.883 14.067) 15.344 5.541 ( -2.335 1.643 11.470) 11.820 5.983 ( -3.094 -5.915 -5.584) 8.703 6.917 ( 4.360 9.693 5.504) 11.969 7.434 ( 2.524 0.795 -4.162) 4.932 8.054 ( 0.096 0.982 -2.686) 2.861 8.459 ( 0.637 -6.956 -3.416) 7.776 8.661 ( -2.174 -7.441 8.776) 11.709 9.908 ( -7.066 1.988 -2.067) 7.626 11.152 ( 2.233 -1.684 4.979) 5.711 12.174 ( -0.649 2.828 -5.776) 6.464 12.501 ( 3.321 -13.180 -7.094) 15.332 12.779 ( 1.768 20.086 -1.503) 20.220 13.513 ( -1.951 2.176 2.151) 3.629 13.785 ( -5.857 5.072 12.197) 14.450 21.390 ( -5.213 10.978 8.255) 14.692 21.497 ( -7.433 -10.564 12.648) 18.078 24.694 ( 4.662 -7.064 -3.645) 9.215 25.390 ( 2.318 -6.601 -8.869) 11.296 ======================= Grid point 195 (84/433) ======================= q-point: (-0.17 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 22.213 14.541 15.690) 30.839 3.242 ( 17.245 37.502 -22.836) 47.173 4.110 ( -11.163 12.347 9.321) 19.077 4.632 ( 1.209 -3.551 1.959) 4.232 4.955 ( 2.867 -10.152 1.482) 10.653 5.206 ( 3.907 -0.278 12.917) 13.498 5.558 ( -6.439 -1.871 2.313) 7.093 6.104 ( 0.061 -12.619 -2.286) 12.824 6.798 ( 7.740 12.612 -1.049) 14.835 7.400 ( 1.468 3.321 -0.778) 3.713 8.040 ( 0.515 1.455 4.442) 4.703 8.552 ( 1.622 -5.017 -4.118) 6.691 8.797 ( -4.510 -8.131 3.146) 9.816 9.789 ( -12.429 -0.716 -4.391) 13.201 11.281 ( 7.725 -4.608 7.163) 11.499 12.072 ( -1.495 4.024 -6.444) 7.743 12.445 ( -0.942 18.479 2.115) 18.623 12.716 ( 7.452 -11.126 -11.922) 17.929 13.505 ( -2.023 -0.806 4.891) 5.353 13.755 ( -5.368 -0.176 12.391) 13.505 20.790 ( -5.758 38.858 11.466) 40.921 22.032 ( -6.995 -31.777 9.998) 34.040 24.802 ( 4.780 -2.478 -2.050) 5.761 25.440 ( -0.358 -4.650 -13.400) 14.188 ======================= Grid point 196 (85/433) ======================= q-point: (-0.08 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 26.324 11.101 18.329) 33.944 2.623 ( 20.716 39.663 -19.099) 48.653 3.787 ( -13.199 22.767 23.197) 35.081 4.724 ( 2.555 -4.422 1.684) 5.378 5.011 ( -2.460 4.096 9.349) 10.499 5.415 ( 2.567 -6.842 -1.409) 7.442 5.574 ( -4.261 -9.506 5.146) 11.619 6.345 ( 0.793 -13.976 1.973) 14.137 6.623 ( 11.048 14.708 -8.041) 20.076 7.359 ( 2.442 2.809 1.386) 3.972 8.053 ( -0.393 1.724 8.135) 8.325 8.608 ( 2.564 -2.360 -5.418) 6.442 8.885 ( -7.087 -7.754 -1.035) 10.556 9.660 ( -14.678 -1.778 -5.643) 15.826 11.490 ( 6.856 -3.558 4.949) 9.174 11.964 ( 2.956 4.577 1.773) 5.730 12.183 ( -1.919 10.322 2.213) 10.730 12.901 ( 11.544 -9.657 -14.727) 21.057 13.541 ( -0.419 -1.716 3.443) 3.870 13.850 ( -2.401 -7.307 13.538) 15.571 20.143 ( -6.569 38.038 12.856) 40.686 22.518 ( -6.477 -26.323 9.608) 28.761 24.844 ( 3.852 1.174 -1.083) 4.170 25.366 ( -5.939 0.888 -17.657) 18.650 ======================= Grid point 201 (86/433) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -3.976 -0.000 27.974) 28.255 2.180 ( -14.319 -0.000 36.160) 38.892 3.620 ( -28.764 -0.000 -27.833) 40.026 4.316 ( 17.924 0.000 8.528) 19.850 5.190 ( 3.091 0.000 8.930) 9.449 5.234 ( 0.342 0.000 -0.149) 0.373 6.047 ( 11.295 0.000 -4.300) 12.085 6.227 ( 2.632 0.000 4.449) 5.169 6.797 ( -8.030 -0.000 -10.659) 13.346 7.745 ( -11.235 -0.000 -0.557) 11.249 7.981 ( -0.534 -0.000 5.474) 5.500 8.015 ( 4.862 0.000 -3.676) 6.095 8.564 ( -9.812 -0.000 -5.168) 11.090 10.177 ( 11.776 0.000 12.213) 16.965 10.556 ( -6.966 -0.000 4.200) 8.134 11.705 ( -2.743 -0.000 -0.883) 2.881 12.931 ( 4.774 0.000 -6.276) 7.885 13.763 ( 0.915 0.000 1.295) 1.585 14.027 ( 11.115 0.000 -0.351) 11.121 15.306 ( 0.340 0.000 -27.538) 27.540 18.636 ( -9.047 -0.000 15.820) 18.225 23.308 ( 2.441 0.000 -5.805) 6.297 23.457 ( -11.787 -0.000 13.673) 18.053 24.931 ( 0.272 0.000 3.262) 3.273 ======================= Grid point 202 (87/433) ======================= q-point: ( 0.42 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 0.322 0.903 13.798) 13.832 2.671 ( -17.307 -32.963 37.087) 52.551 3.224 ( -21.138 2.928 -21.081) 29.997 4.503 ( 13.227 -0.640 2.853) 13.546 5.010 ( 0.545 11.610 3.326) 12.089 5.509 ( 1.362 -13.608 5.142) 14.611 6.074 ( 4.726 4.528 -3.496) 7.420 6.291 ( 6.750 -1.417 -0.653) 6.928 6.635 ( -6.018 3.080 -8.704) 11.021 7.600 ( -8.566 3.284 -3.899) 9.968 8.009 ( 1.357 -0.394 -2.462) 2.838 8.085 ( 2.199 -2.567 7.947) 8.636 8.447 ( -7.957 1.107 -2.767) 8.497 10.317 ( 8.733 1.198 8.620) 12.329 10.567 ( -6.907 -5.628 3.750) 9.666 11.692 ( -2.157 -1.501 -0.300) 2.645 12.896 ( 4.633 4.851 -6.635) 9.435 13.763 ( 1.079 1.689 1.272) 2.374 14.084 ( 9.153 4.411 -0.612) 10.178 15.040 ( 0.678 14.210 -20.761) 25.167 18.753 ( -9.018 -13.305 15.493) 22.324 23.311 ( -1.989 3.508 2.186) 4.587 23.468 ( -5.239 -8.939 2.682) 10.702 24.964 ( -0.116 -1.823 2.614) 3.189 ======================= Grid point 203 (88/433) ======================= q-point: ( 0.50 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 8.591 -18.841 -5.236) 21.359 2.926 ( -9.428 4.629 -11.490) 15.567 3.291 ( -20.393 -35.611 35.879) 54.510 4.590 ( 8.130 2.000 -3.484) 9.068 4.881 ( -0.406 6.342 4.990) 8.080 5.685 ( 3.012 -0.121 1.067) 3.198 5.963 ( -4.898 3.037 -6.633) 8.787 6.262 ( 3.878 11.336 0.337) 11.986 6.651 ( 2.270 -12.771 -5.343) 14.028 7.454 ( -4.748 4.599 -1.877) 6.871 7.996 ( 1.834 0.146 -7.627) 7.846 8.198 ( -0.520 -3.451 10.163) 10.745 8.369 ( -4.444 0.521 1.299) 4.659 10.350 ( 8.043 7.844 1.779) 11.374 10.684 ( -9.300 -13.800 5.937) 17.669 11.715 ( -1.723 -3.413 0.344) 3.838 12.785 ( 4.123 8.419 -6.584) 11.456 13.741 ( 1.631 3.308 1.056) 3.836 14.021 ( 4.737 9.745 -2.778) 11.186 14.674 ( 2.737 19.173 -10.839) 22.194 19.081 ( -8.849 -24.786 14.679) 30.135 23.158 ( -4.961 12.710 7.565) 15.601 23.679 ( 0.062 -17.518 -4.811) 18.167 25.018 ( -0.077 -3.423 1.217) 3.633 ======================= Grid point 204 (89/433) ======================= q-point: ( 0.58 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 10.501 -17.052 -11.465) 23.076 2.801 ( 5.693 -5.161 -6.553) 10.099 3.872 ( -20.694 -32.929 29.874) 49.041 4.561 ( 6.224 4.941 -6.153) 10.051 4.819 ( -2.347 3.823 5.476) 7.079 5.532 ( 2.830 15.369 -9.893) 18.495 5.866 ( -9.307 -1.561 -6.949) 11.720 6.108 ( 3.605 12.572 10.715) 16.907 6.915 ( 3.181 -16.737 -8.090) 18.860 7.350 ( -0.146 5.496 5.265) 7.612 7.966 ( 1.308 -1.630 -11.987) 12.168 8.274 ( -2.293 -2.015 3.939) 4.984 8.387 ( -0.154 -1.771 10.231) 10.384 10.245 ( 1.968 8.943 -2.348) 9.453 10.884 ( -6.059 -12.777 6.205) 15.442 11.790 ( -1.162 -7.137 0.509) 7.249 12.624 ( 3.102 9.902 -6.550) 12.271 13.674 ( 1.611 8.222 -0.063) 8.379 13.824 ( 1.241 11.776 -5.913) 13.236 14.351 ( 2.068 17.725 -0.368) 17.849 19.574 ( -8.582 -33.069 13.463) 36.722 22.885 ( -4.824 19.354 8.332) 21.616 23.979 ( 3.093 -18.761 -5.357) 19.754 25.091 ( 0.286 -4.811 -0.836) 4.892 ======================= Grid point 205 (90/433) ======================= q-point: (-0.33 -0.67 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 14.033 10.716 6.761) 18.907 3.259 ( 12.470 -32.314 -21.521) 40.778 4.301 ( -16.513 -20.116 11.122) 28.303 4.509 ( 6.500 4.298 2.217) 8.102 4.765 ( -2.195 2.816 5.850) 6.854 5.218 ( 0.235 14.419 -9.814) 17.443 5.737 ( -9.505 1.865 -4.239) 10.573 6.017 ( 2.928 9.381 10.342) 14.267 7.112 ( 1.254 -6.903 -4.491) 8.330 7.345 ( 4.088 1.315 7.502) 8.644 7.954 ( 0.635 -4.349 -13.874) 14.554 8.304 ( 0.568 -1.717 1.340) 2.251 8.498 ( -0.476 -3.298 12.762) 13.190 10.073 ( -4.765 7.361 -4.453) 9.835 11.050 ( -1.485 -6.895 5.965) 9.238 11.948 ( -0.301 -11.900 -0.407) 11.911 12.448 ( 1.648 8.592 -6.988) 11.197 13.432 ( 0.830 17.648 -5.141) 18.400 13.670 ( 0.806 6.058 -2.445) 6.582 14.100 ( -2.371 13.893 6.907) 15.695 20.171 ( -8.162 -37.542 12.024) 40.257 22.505 ( -4.773 25.819 9.144) 27.803 24.295 ( 5.995 -16.251 -4.324) 17.853 25.174 ( 0.573 -5.803 -3.517) 6.810 ======================= Grid point 206 (91/433) ======================= q-point: (-0.25 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 18.947 13.427 11.201) 25.782 3.752 ( 7.420 -25.936 -20.966) 34.166 4.278 ( 8.853 11.928 -13.803) 20.278 4.564 ( -4.508 -1.021 11.049) 11.977 4.748 ( 0.680 2.116 -1.970) 2.970 5.073 ( -6.902 -4.095 8.703) 11.838 5.636 ( -5.863 -0.518 1.534) 6.083 5.936 ( 0.365 7.220 6.289) 9.581 7.147 ( 3.013 5.053 8.091) 10.004 7.407 ( 3.780 -1.725 -3.785) 5.620 7.976 ( -0.033 -5.377 -9.100) 10.570 8.369 ( 3.078 -3.621 -0.390) 4.768 8.615 ( -1.614 -3.589 11.176) 11.848 9.865 ( -10.908 5.284 -5.903) 13.482 11.173 ( 3.536 -3.309 6.601) 8.187 12.131 ( 0.006 -6.727 -4.068) 7.861 12.330 ( 1.174 -1.669 -6.835) 7.134 13.101 ( 0.934 18.482 -4.883) 19.139 13.571 ( -0.864 4.811 0.617) 4.927 13.912 ( -5.705 9.270 9.950) 14.747 20.809 ( -7.515 -38.290 10.582) 40.430 22.024 ( -5.119 31.740 10.296) 33.758 24.575 ( 7.756 -11.374 -3.026) 14.095 25.251 ( 0.204 -5.896 -6.821) 9.018 ======================= Grid point 207 (92/433) ======================= q-point: (-0.17 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 19.868 12.563 13.451) 27.083 3.819 ( 10.669 20.842 -16.292) 28.525 4.109 ( 2.009 -0.344 -12.856) 13.017 4.617 ( 0.655 -2.003 5.219) 5.628 4.791 ( 3.855 -8.844 -3.131) 10.143 5.183 ( -7.117 -8.141 10.267) 14.911 5.635 ( -2.598 4.985 11.889) 13.151 5.901 ( -1.326 -5.086 -0.147) 5.258 7.095 ( 6.008 10.993 7.940) 14.832 7.424 ( 2.499 -0.305 -6.208) 6.699 8.030 ( -0.565 -4.268 -0.919) 4.403 8.470 ( 4.382 -4.594 -1.904) 6.629 8.702 ( -3.108 -3.078 7.349) 8.552 9.642 ( -14.871 2.399 -7.130) 16.665 11.323 ( 7.783 -3.962 7.914) 11.786 12.073 ( -2.241 3.340 -7.579) 8.580 12.487 ( 3.635 -12.532 -7.069) 14.840 12.777 ( 1.019 17.635 -3.140) 17.942 13.518 ( -2.204 1.274 5.428) 5.995 13.795 ( -6.078 4.185 9.567) 12.083 21.390 ( -5.017 -3.145 8.709) 10.531 21.497 ( -7.494 3.443 12.330) 14.834 24.780 ( 7.868 -5.740 -1.955) 9.933 25.289 ( -1.396 -4.314 -10.619) 11.547 ======================= Grid point 208 (93/433) ======================= q-point: (-0.08 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 19.519 8.782 13.758) 25.444 3.346 ( 18.900 35.157 -17.679) 43.655 4.022 ( -6.585 6.477 4.835) 10.425 4.701 ( 2.796 -3.216 3.591) 5.573 4.958 ( -1.736 -8.421 -3.870) 9.429 5.370 ( -2.599 -12.979 7.369) 15.149 5.502 ( -2.711 11.502 8.533) 14.576 6.076 ( -2.025 -14.126 0.218) 14.272 6.980 ( 9.476 14.464 3.829) 17.710 7.406 ( 2.139 0.779 -4.645) 5.173 8.090 ( -1.513 -2.038 5.572) 6.123 8.567 ( 4.976 -2.956 -3.714) 6.877 8.741 ( -5.026 -2.726 3.228) 6.565 9.455 ( -14.805 -1.566 -7.247) 16.558 11.516 ( 6.717 -3.948 5.891) 9.767 11.984 ( -0.165 -0.338 -3.117) 3.140 12.431 ( -2.363 16.589 1.213) 16.800 12.738 ( 9.251 -11.440 -12.033) 19.006 13.540 ( -1.324 -0.935 6.772) 6.964 13.787 ( -4.415 -3.526 9.715) 11.238 20.812 ( -6.186 38.915 12.385) 41.304 22.015 ( -6.439 -32.000 9.280) 33.935 24.890 ( 6.481 -0.585 -1.432) 6.663 25.238 ( -4.384 -0.223 -14.091) 14.759 ======================= Grid point 214 (94/433) ======================= q-point: ( 0.42 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -8.895 -0.000 25.409) 26.921 2.252 ( -17.527 -0.000 29.969) 34.718 3.012 ( -9.536 -0.000 -11.391) 14.855 4.615 ( 9.723 0.000 -0.526) 9.737 5.238 ( -1.752 -0.000 2.655) 3.181 5.288 ( -0.093 -0.000 2.736) 2.738 6.193 ( 9.574 0.000 -4.491) 10.575 6.272 ( -0.763 -0.000 -3.501) 3.583 6.589 ( -1.441 -0.000 -5.915) 6.088 7.507 ( -6.694 -0.000 -9.488) 11.612 8.033 ( -1.094 -0.000 6.234) 6.329 8.137 ( 4.954 0.000 6.152) 7.898 8.380 ( -6.036 -0.000 -0.709) 6.077 10.346 ( -5.507 -0.000 9.227) 10.745 10.553 ( 3.279 0.000 -0.902) 3.401 11.664 ( -1.192 -0.000 0.254) 1.219 12.941 ( 4.554 0.000 -7.465) 8.745 13.788 ( 0.055 0.000 1.561) 1.562 14.193 ( 7.433 0.000 -3.285) 8.127 15.064 ( 3.163 0.000 -18.333) 18.604 18.641 ( -9.235 -0.000 15.613) 18.140 23.292 ( 2.864 0.000 -5.918) 6.574 23.412 ( -8.135 -0.000 11.246) 13.880 24.958 ( -0.888 -0.000 2.597) 2.745 ======================= Grid point 215 (95/433) ======================= q-point: ( 0.50 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -5.199 -0.128 10.169) 11.422 2.706 ( -20.903 -31.813 33.304) 50.578 2.940 ( 4.844 2.727 0.919) 5.634 4.656 ( 4.202 1.130 -4.799) 6.478 5.035 ( -2.135 10.607 3.284) 11.307 5.521 ( -3.293 -14.647 -0.445) 15.019 6.049 ( 0.307 11.348 -9.215) 14.622 6.392 ( 6.364 -7.827 -5.822) 11.647 6.529 ( 1.075 4.776 0.945) 4.986 7.414 ( -2.242 -0.593 -9.346) 9.629 8.028 ( -0.747 2.794 3.138) 4.268 8.212 ( 0.129 -0.831 7.284) 7.333 8.356 ( -0.471 -0.401 4.230) 4.275 10.420 ( -6.363 -9.752 8.012) 14.134 10.516 ( 0.417 4.974 -4.471) 6.702 11.671 ( -0.486 -1.228 0.956) 1.631 12.898 ( 4.179 4.792 -7.761) 10.033 13.787 ( -0.174 0.982 1.533) 1.829 14.165 ( 2.568 5.628 -6.733) 9.144 14.929 ( 8.269 11.845 -11.219) 18.291 18.754 ( -9.239 -13.211 15.207) 22.162 23.300 ( -1.737 3.455 2.008) 4.357 23.434 ( -1.816 -8.079 2.645) 8.692 24.976 ( -1.235 -1.796 1.796) 2.825 ======================= Grid point 216 (96/433) ======================= q-point: (-0.42 -0.58 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 3.380 -19.674 -8.693) 21.773 2.999 ( 15.355 5.627 10.658) 19.520 3.257 ( -22.450 -34.350 32.036) 52.060 4.611 ( -0.303 1.495 -7.372) 7.528 4.899 ( -2.816 5.649 4.600) 7.810 5.652 ( -6.407 -6.907 -4.927) 10.631 5.771 ( -0.163 13.927 -12.739) 18.875 6.405 ( 7.258 10.855 4.903) 13.948 6.623 ( 0.702 -14.430 -5.346) 15.405 7.397 ( 2.624 -1.576 -3.775) 4.860 7.963 ( -0.650 4.289 -1.489) 4.586 8.252 ( -1.610 -1.544 5.005) 5.480 8.425 ( 2.790 -0.958 9.666) 10.106 10.351 ( -5.223 7.437 -7.446) 11.748 10.631 ( -3.468 -14.543 7.265) 16.622 11.709 ( 0.160 -2.906 1.305) 3.190 12.774 ( 3.297 8.620 -7.848) 12.114 13.763 ( -0.598 2.704 1.157) 3.001 13.988 ( -0.729 10.424 -8.454) 13.441 14.701 ( 8.807 18.935 -5.041) 21.483 19.076 ( -9.040 -24.573 14.229) 29.800 23.154 ( -4.483 12.303 7.445) 15.063 23.676 ( 3.998 -17.573 -2.477) 18.191 25.015 ( -1.169 -3.386 0.264) 3.592 ======================= Grid point 217 (97/433) ======================= q-point: (-0.33 -0.58 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 7.925 -28.680 -19.583) 35.621 3.115 ( 20.080 7.763 12.671) 24.981 3.774 ( -21.137 -30.317 25.127) 44.690 4.553 ( -2.150 -0.985 -5.261) 5.769 4.840 ( -0.433 3.055 6.896) 7.555 5.447 ( 1.453 16.586 -11.713) 20.357 5.597 ( -9.635 -1.244 -9.840) 13.828 6.310 ( 6.445 11.942 8.207) 15.859 6.859 ( 0.075 -15.799 -6.596) 17.121 7.471 ( 5.556 -1.135 6.662) 8.749 7.871 ( -0.179 2.502 -7.974) 8.360 8.300 ( 1.170 -1.571 3.691) 4.179 8.523 ( 1.614 -1.429 10.581) 10.799 10.105 ( -9.611 7.935 -8.483) 15.076 10.899 ( -0.336 -13.736 6.830) 15.344 11.796 ( 0.927 -6.336 0.890) 6.465 12.588 ( 1.718 10.604 -8.266) 13.555 13.653 ( -1.790 11.024 -3.466) 11.694 13.769 ( -0.139 7.576 -4.324) 8.724 14.406 ( 2.968 19.737 -0.334) 19.962 19.561 ( -8.607 -32.827 12.837) 36.284 22.891 ( -4.733 18.954 8.774) 21.416 24.039 ( 8.143 -19.214 -2.285) 20.993 25.069 ( -0.933 -4.544 -1.914) 5.018 ======================= Grid point 218 (98/433) ======================= q-point: (-0.25 -0.58 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 11.364 -7.332 -5.255) 14.509 3.284 ( 13.447 -12.632 -8.430) 20.284 4.129 ( -14.693 -18.890 9.819) 25.867 4.570 ( -0.593 -3.225 2.403) 4.065 4.862 ( 4.779 3.358 7.430) 9.451 5.130 ( -0.360 13.566 -5.726) 14.729 5.481 ( -8.282 -3.635 -10.047) 13.518 6.201 ( 3.938 12.517 9.823) 16.391 7.068 ( -0.186 -12.343 -5.229) 13.406 7.549 ( 4.176 6.067 13.553) 15.425 7.827 ( 1.826 -4.851 -12.954) 13.953 8.369 ( 4.416 -1.680 2.635) 5.410 8.611 ( -0.534 -1.991 8.975) 9.209 9.826 ( -12.932 7.319 -7.835) 16.799 11.147 ( 3.761 -8.999 7.087) 12.056 11.955 ( 1.760 -10.523 -0.766) 10.696 12.371 ( -0.542 9.245 -9.108) 12.990 13.367 ( -0.299 16.097 -6.646) 17.417 13.652 ( -1.190 5.463 -0.598) 5.623 14.112 ( -3.930 14.973 4.753) 16.193 20.152 ( -7.912 -37.401 11.325) 39.871 22.520 ( -5.074 25.532 9.958) 27.871 24.419 ( 11.069 -15.655 -1.651) 19.244 25.125 ( -0.954 -4.873 -4.654) 6.805 ======================= Grid point 219 (99/433) ======================= q-point: (-0.17 -0.58 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 10.633 8.722 6.932) 15.401 3.623 ( 3.699 -22.265 -20.510) 30.497 4.259 ( 1.474 -0.655 -5.160) 5.407 4.640 ( 1.481 0.600 4.863) 5.118 4.751 ( 5.728 7.180 -7.266) 11.711 5.054 ( -6.597 -3.394 9.316) 11.909 5.530 ( -3.405 -11.488 -0.496) 11.992 6.062 ( 0.759 13.039 11.466) 17.380 7.203 ( -0.564 -6.138 -2.662) 6.714 7.492 ( 3.479 8.269 3.454) 9.613 7.915 ( 1.890 -6.899 -2.978) 7.748 8.467 ( 7.236 -2.147 1.337) 7.665 8.674 ( -3.020 -2.210 6.299) 7.327 9.545 ( -14.018 6.440 -6.400) 16.701 11.358 ( 7.169 -5.653 7.751) 11.976 12.071 ( -0.660 1.976 -6.530) 6.854 12.272 ( 1.098 -9.106 -6.557) 11.275 13.053 ( 0.525 16.723 -6.349) 17.895 13.562 ( -2.590 3.322 3.711) 5.614 13.893 ( -6.884 8.862 7.197) 13.332 20.789 ( -7.012 -38.340 9.984) 40.234 22.043 ( -5.668 31.614 11.152) 33.999 24.731 ( 11.563 -9.418 -1.346) 14.974 25.156 ( -1.633 -3.815 -7.782) 8.819 ======================= Grid point 220 (100/433) ======================= q-point: (-0.08 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 7.442 5.593 6.692) 11.465 3.796 ( 3.536 -1.516 -11.594) 12.215 4.078 ( 11.488 16.179 -14.665) 24.673 4.681 ( -0.733 -4.980 7.300) 8.867 4.784 ( 2.436 -5.044 -9.681) 11.185 5.156 ( -5.637 -10.563 6.082) 13.429 5.671 ( -4.171 -1.333 6.165) 7.562 5.946 ( -1.330 3.619 11.133) 11.782 7.229 ( 0.384 1.815 0.344) 1.887 7.412 ( 4.271 4.574 -4.836) 7.909 8.031 ( -0.414 -5.182 4.215) 6.693 8.573 ( 7.471 -1.360 -1.380) 7.718 8.698 ( -5.020 -1.648 4.229) 6.767 9.308 ( -10.754 3.434 -4.295) 12.079 11.540 ( 4.952 -3.237 4.834) 7.640 11.964 ( -0.374 1.148 -3.595) 3.792 12.481 ( 4.099 -12.276 -6.617) 14.536 12.748 ( 1.051 14.932 -5.741) 16.033 13.551 ( -2.804 -0.738 9.076) 9.528 13.770 ( -6.050 2.390 5.954) 8.819 21.397 ( -5.031 -18.196 9.256) 21.025 21.494 ( -7.499 18.294 12.034) 23.145 24.925 ( 9.469 -2.907 -1.622) 10.037 25.127 ( -2.722 -0.942 -10.555) 10.941 ======================= Grid point 227 (101/433) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -21.288 -0.000 24.509) 32.464 2.276 ( -15.335 -0.000 24.196) 28.646 3.112 ( 18.770 0.000 12.278) 22.429 4.635 ( -3.474 -0.000 -7.818) 8.555 5.230 ( -1.634 -0.000 2.818) 3.258 5.234 ( -5.018 -0.000 -3.935) 6.377 6.127 ( -2.294 -0.000 -12.867) 13.070 6.275 ( 3.371 0.000 -3.242) 4.677 6.640 ( 6.657 0.000 1.984) 6.946 7.343 ( 2.408 0.000 -11.748) 11.992 8.065 ( -3.265 -0.000 6.344) 7.135 8.223 ( -2.937 -0.000 4.595) 5.454 8.417 ( 5.853 0.000 8.999) 10.734 10.301 ( -7.790 -0.000 5.518) 9.547 10.523 ( -2.195 -0.000 -6.642) 6.995 11.669 ( 0.453 0.000 1.721) 1.780 12.933 ( 4.041 0.000 -8.357) 9.283 13.798 ( -0.851 -0.000 1.566) 1.782 14.174 ( -0.917 -0.000 -9.825) 9.868 15.087 ( 14.881 0.000 -9.093) 17.440 18.640 ( -9.462 -0.000 15.369) 18.048 23.284 ( 3.482 0.000 -5.993) 6.931 23.403 ( -6.512 -0.000 11.610) 13.312 24.955 ( -1.945 -0.000 1.696) 2.581 ======================= Grid point 228 (102/433) ======================= q-point: (-0.42 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -11.055 -1.676 6.766) 13.069 2.628 ( -25.597 -30.292 30.588) 50.084 3.384 ( 27.278 3.895 18.808) 33.361 4.520 ( -10.100 -0.582 -10.707) 14.730 5.012 ( -3.056 8.292 0.988) 8.892 5.401 ( -4.668 -10.694 -5.380) 12.849 5.927 ( -0.549 10.590 -11.307) 15.501 6.375 ( -0.398 -10.019 -5.438) 11.406 6.662 ( 8.055 6.619 3.886) 11.126 7.352 ( 6.918 -3.088 -9.570) 12.206 8.027 ( -4.358 3.796 4.612) 7.394 8.239 ( -1.515 -1.634 5.353) 5.798 8.526 ( 6.656 0.969 10.870) 12.782 10.271 ( -12.225 -1.839 -6.096) 13.784 10.484 ( -0.225 -4.010 1.586) 4.318 11.695 ( 1.103 -0.935 2.217) 2.647 12.879 ( 3.492 5.025 -8.572) 10.532 13.789 ( -1.361 0.948 1.397) 2.168 14.055 ( -2.552 5.182 -10.056) 11.597 15.068 ( 16.113 14.011 -8.479) 22.974 18.748 ( -9.443 -13.059 14.913) 21.956 23.293 ( -1.168 3.365 1.650) 3.925 23.460 ( 0.076 -9.365 5.202) 10.713 24.959 ( -2.180 -1.762 0.860) 2.932 ======================= Grid point 229 (103/433) ======================= q-point: (-0.33 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -1.496 -21.253 -12.302) 24.602 3.084 ( -26.057 -30.543 28.453) 49.207 3.628 ( 21.466 7.124 16.641) 28.080 4.413 ( -7.439 -4.845 -7.906) 11.888 4.914 ( -1.653 2.419 4.476) 5.350 5.416 ( -6.270 -2.580 -11.579) 13.418 5.664 ( -0.106 13.258 -9.184) 16.129 6.521 ( 2.180 -7.927 -9.969) 12.922 6.642 ( 4.743 3.614 9.639) 11.334 7.467 ( 9.199 -6.060 -4.524) 11.908 7.919 ( -5.116 5.733 2.129) 7.974 8.307 ( 1.956 -2.347 5.557) 6.342 8.614 ( 5.233 2.001 10.206) 11.643 10.057 ( -13.974 4.801 -11.062) 18.458 10.688 ( 1.225 -14.304 6.051) 15.579 11.747 ( 1.760 -2.422 2.123) 3.670 12.733 ( 2.253 9.517 -8.933) 13.246 13.742 ( -2.433 4.023 -0.067) 4.702 13.866 ( -1.898 7.814 -7.579) 11.050 14.812 ( 9.516 23.654 -8.392) 26.842 19.063 ( -9.124 -24.343 13.811) 29.438 23.157 ( -4.193 11.902 7.516) 14.688 23.776 ( 7.830 -19.704 1.244) 21.239 24.983 ( -2.017 -3.195 -0.647) 3.833 ======================= Grid point 230 (104/433) ======================= q-point: (-0.25 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 4.270 -30.962 -23.375) 39.029 3.415 ( -9.712 -8.886 14.331) 19.459 3.718 ( -11.482 -9.854 10.329) 18.320 4.506 ( 6.684 -5.935 2.631) 9.318 4.952 ( 1.546 -2.266 10.407) 10.763 5.292 ( -4.466 0.666 -15.492) 16.136 5.378 ( -0.811 14.728 -6.790) 16.238 6.481 ( 5.919 9.477 -0.831) 11.204 6.810 ( -0.925 -12.771 2.194) 12.991 7.656 ( 8.756 -7.350 -0.558) 11.446 7.770 ( -5.648 6.197 -0.647) 8.409 8.410 ( 5.720 -1.961 5.780) 8.365 8.661 ( 2.629 2.362 7.090) 7.923 9.779 ( -13.675 6.086 -8.356) 17.143 11.005 ( 3.665 -15.419 6.488) 17.125 11.839 ( 2.395 -5.437 1.193) 6.060 12.504 ( -0.121 12.362 -9.904) 15.841 13.562 ( -1.793 11.961 -6.001) 13.501 13.722 ( -1.799 5.064 -1.591) 5.605 14.407 ( -0.698 22.424 -4.567) 22.895 19.542 ( -8.458 -32.676 12.349) 35.941 22.902 ( -4.954 18.639 9.372) 21.443 24.228 ( 13.432 -19.858 0.967) 23.994 25.018 ( -1.703 -3.872 -2.735) 5.037 ======================= Grid point 231 (105/433) ======================= q-point: (-0.17 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 5.416 -28.637 -23.818) 37.639 3.360 ( -6.526 2.701 -3.657) 7.954 3.966 ( -16.026 -22.517 12.503) 30.334 4.657 ( 6.794 -1.931 1.601) 7.243 5.027 ( 6.378 8.751 -0.749) 10.855 5.080 ( -1.637 12.481 -1.347) 12.660 5.291 ( -1.338 -12.775 -1.496) 12.931 6.346 ( 2.629 11.961 4.490) 13.044 7.010 ( -1.652 -10.895 -1.119) 11.077 7.610 ( -4.803 4.517 -5.411) 8.529 7.845 ( 5.610 -5.873 3.432) 8.817 8.537 ( 8.832 -1.063 6.245) 10.868 8.659 ( -0.962 1.650 2.392) 3.061 9.526 ( -10.513 6.773 -3.025) 12.866 11.320 ( 6.216 -11.354 6.877) 14.658 11.992 ( 3.147 -8.956 -0.978) 9.543 12.228 ( -3.295 10.145 -10.527) 14.986 13.282 ( 0.130 14.826 -8.743) 17.212 13.617 ( -2.893 4.336 1.476) 5.417 14.049 ( -7.379 14.090 2.492) 16.100 20.132 ( -7.520 -37.412 10.897) 39.686 22.536 ( -5.629 25.336 10.690) 28.069 24.656 ( 15.351 -13.592 0.175) 20.504 25.046 ( -1.436 -3.344 -5.226) 6.368 ======================= Grid point 232 (106/433) ======================= q-point: (-0.08 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( -7.263 -1.060 -4.461) 8.589 3.445 ( 2.356 -23.641 -21.436) 31.999 4.242 ( -3.077 -11.555 5.298) 13.079 4.688 ( -0.298 4.579 2.256) 5.113 4.799 ( 10.601 10.911 -12.683) 19.806 5.019 ( -3.579 -2.924 1.052) 4.740 5.535 ( -1.837 -10.839 8.782) 14.071 6.178 ( -0.776 12.633 8.967) 15.511 7.113 ( -3.860 -6.109 -5.394) 9.017 7.494 ( -1.319 1.787 -5.822) 6.231 7.993 ( 2.508 -4.571 5.442) 7.537 8.621 ( -3.653 0.261 -1.710) 4.042 8.654 ( 7.184 0.680 4.621) 8.569 9.340 ( -3.343 6.818 2.993) 8.162 11.539 ( 3.015 -3.935 2.996) 5.792 11.990 ( 0.203 4.157 -3.143) 5.215 12.241 ( 2.960 -14.474 -5.832) 15.883 12.980 ( 0.643 15.339 -8.902) 17.746 13.563 ( -3.683 0.574 7.241) 8.144 13.820 ( -8.047 7.313 4.840) 11.902 20.773 ( -6.505 -38.527 9.727) 40.265 22.059 ( -6.350 31.559 11.703) 34.253 24.940 ( 9.936 -5.122 -2.192) 11.391 25.049 ( 1.942 -1.875 -6.581) 7.113 ======================= Grid point 240 (107/433) ======================= q-point: (-0.42 -0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -25.052 -0.000 21.051) 32.723 2.190 ( -22.354 -0.000 23.292) 32.283 3.815 ( 32.649 0.000 22.229) 39.498 4.308 ( -18.345 -0.000 -14.598) 23.444 5.037 ( -8.453 -0.000 -8.400) 11.917 5.263 ( 1.897 0.000 2.530) 3.163 5.956 ( -0.335 -0.000 -13.666) 13.670 6.235 ( -4.164 -0.000 -2.101) 4.664 6.816 ( 9.377 0.000 2.244) 9.642 7.347 ( 10.293 0.000 -9.857) 14.252 8.041 ( -6.100 -0.000 4.393) 7.517 8.243 ( -0.205 -0.000 6.449) 6.452 8.671 ( 7.992 0.000 12.100) 14.501 10.089 ( -14.939 -0.000 -8.451) 17.164 10.452 ( 0.277 0.000 0.873) 0.916 11.714 ( 1.586 0.000 2.852) 3.263 12.907 ( 3.430 0.000 -8.811) 9.455 13.791 ( -1.604 -0.000 1.366) 2.106 14.014 ( -3.215 -0.000 -10.130) 10.628 15.316 ( 20.965 0.000 -12.744) 24.535 18.632 ( -9.638 -0.000 15.173) 17.975 23.288 ( 4.121 0.000 -5.954) 7.241 23.431 ( -6.328 -0.000 15.168) 16.435 24.926 ( -2.762 -0.000 0.787) 2.872 ======================= Grid point 241 (108/433) ======================= q-point: (-0.33 -0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -16.270 -3.244 4.319) 17.143 2.453 ( -29.292 -30.014 29.664) 51.369 3.939 ( -11.011 8.254 -8.029) 15.932 4.299 ( 20.383 -5.546 11.015) 23.824 4.903 ( -6.766 0.217 -5.211) 8.543 5.310 ( 0.213 -0.830 -2.057) 2.229 5.796 ( -0.070 8.757 -11.174) 14.197 6.275 ( -4.770 -10.070 -3.513) 11.684 6.866 ( 9.527 5.568 3.315) 11.522 7.434 ( 11.146 -4.109 -7.512) 14.055 7.958 ( -7.759 4.129 2.059) 9.027 8.320 ( 3.321 -2.723 7.424) 8.577 8.782 ( 7.337 3.158 11.613) 14.095 9.889 ( -17.104 -0.040 -11.694) 20.719 10.541 ( 2.611 -7.887 4.184) 9.302 11.753 ( 1.944 -0.814 2.959) 3.633 12.840 ( 2.812 5.704 -8.988) 11.010 13.769 ( -2.160 1.697 0.819) 2.866 13.899 ( -2.788 3.806 -8.582) 9.793 15.249 ( 17.502 19.735 -17.383) 31.590 18.737 ( -9.541 -12.868 14.686) 21.732 23.294 ( -0.619 3.484 1.484) 3.837 23.557 ( 1.296 -13.222 10.780) 17.108 24.917 ( -2.843 -1.734 0.052) 3.330 ======================= Grid point 242 (109/433) ======================= q-point: (-0.25 -0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -4.942 -23.678 -15.392) 28.670 2.896 ( -28.480 -32.869 29.491) 52.547 3.603 ( -22.510 3.618 -14.545) 27.044 4.620 ( 20.628 0.075 10.148) 22.989 4.892 ( -1.364 -6.984 -1.514) 7.275 5.247 ( -1.598 4.883 -3.897) 6.449 5.572 ( 1.260 11.458 -8.421) 14.276 6.410 ( -2.886 -11.513 -6.863) 13.710 6.863 ( 7.738 6.555 7.901) 12.856 7.590 ( 10.026 -6.442 -7.056) 13.849 7.795 ( -10.521 5.062 -0.168) 11.676 8.463 ( 7.177 -3.114 7.989) 11.182 8.819 ( 5.475 5.958 8.980) 12.088 9.673 ( -14.328 1.259 -8.136) 16.525 10.802 ( 4.156 -15.299 5.455) 16.765 11.811 ( 2.272 -2.138 2.452) 3.968 12.661 ( 0.991 11.516 -9.828) 15.172 13.674 ( -2.357 6.955 -3.890) 8.310 13.770 ( -2.222 4.119 -3.354) 5.758 14.810 ( 4.550 29.748 -17.404) 34.764 19.046 ( -9.045 -24.165 13.509) 29.125 23.164 ( -4.076 11.636 7.615) 14.492 24.000 ( 12.443 -23.290 6.608) 27.220 24.931 ( -2.430 -2.980 -1.273) 4.050 ======================= Grid point 243 (110/433) ======================= q-point: (-0.17 -0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 3.002 -33.508 -25.901) 42.458 3.196 ( -23.496 -4.456 -5.981) 24.652 3.429 ( -24.825 -26.655 16.351) 39.927 4.742 ( 6.541 1.685 1.798) 6.990 5.049 ( -1.117 -3.938 -12.615) 13.263 5.170 ( 5.764 -1.543 14.963) 16.109 5.346 ( 5.206 13.617 -7.355) 16.328 6.469 ( -0.089 -1.061 -8.404) 8.471 6.911 ( 2.527 -0.694 11.139) 11.443 7.561 ( -7.539 4.017 -12.134) 14.840 7.781 ( 1.927 -7.363 -0.083) 7.611 8.616 ( 6.212 -1.488 5.789) 8.621 8.796 ( 6.129 7.038 8.268) 12.468 9.518 ( -7.351 2.263 -0.667) 7.721 11.162 ( 5.688 -17.079 5.832) 18.923 11.897 ( 2.197 -4.609 0.863) 5.179 12.364 ( -2.719 15.084 -11.136) 18.945 13.459 ( -0.479 12.033 -9.513) 15.347 13.668 ( -2.917 4.253 -0.012) 5.157 14.267 ( -7.317 21.375 -7.450) 23.790 19.524 ( -8.149 -32.657 12.082) 35.761 22.913 ( -5.327 18.484 9.824) 21.599 24.547 ( 18.326 -18.710 3.703) 26.451 24.956 ( -1.178 -3.299 -3.067) 4.656 ======================= Grid point 244 (111/433) ======================= q-point: (-0.08 -0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 3.921 -29.697 -25.134) 39.102 2.956 ( -21.840 -8.363 -16.796) 28.792 3.854 ( -16.195 -27.964 20.805) 38.433 4.747 ( 1.953 2.577 -0.670) 3.302 4.958 ( -3.803 -0.095 -5.324) 6.544 5.111 ( 9.206 16.733 -10.503) 21.796 5.434 ( 4.221 -8.461 13.028) 16.098 6.374 ( -0.703 7.183 -2.517) 7.644 6.993 ( -3.071 -1.779 4.253) 5.539 7.395 ( -5.877 -1.903 -12.456) 13.904 7.914 ( 0.212 -7.494 -1.103) 7.578 8.627 ( -0.669 3.378 -0.086) 3.444 8.829 ( 8.684 5.473 10.393) 14.608 9.455 ( 1.513 3.672 6.175) 7.342 11.484 ( 3.776 -8.930 3.293) 10.240 12.009 ( -2.047 -7.064 -6.698) 9.947 12.070 ( 0.678 5.446 -3.015) 6.261 13.176 ( 1.168 13.744 -13.002) 18.955 13.587 ( -3.629 2.465 4.037) 5.962 13.911 ( -10.318 10.484 3.139) 15.042 20.117 ( -7.077 -37.535 10.772) 39.686 22.547 ( -6.236 25.276 11.072) 28.291 24.898 ( 3.745 -5.033 -2.612) 6.796 25.036 ( 13.437 -5.722 -2.267) 14.780 ======================= Grid point 253 (112/433) ======================= q-point: (-0.33 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -28.615 -0.000 21.146) 35.580 1.979 ( -28.561 -0.000 23.635) 37.072 3.675 ( -28.996 -0.000 -21.393) 36.033 4.636 ( 29.531 0.000 17.026) 34.088 4.781 ( -6.297 -0.000 -10.249) 12.029 5.339 ( 3.106 0.000 2.547) 4.016 5.821 ( 1.953 0.000 -13.336) 13.478 6.104 ( -8.446 -0.000 0.769) 8.481 7.015 ( 9.484 0.000 2.285) 9.756 7.461 ( 11.218 0.000 -7.160) 13.308 7.924 ( -8.563 -0.000 -2.203) 8.842 8.380 ( 6.110 0.000 9.464) 11.265 8.949 ( 7.442 0.000 12.320) 14.393 9.650 ( -18.931 -0.000 -11.457) 22.128 10.523 ( 3.791 0.000 3.677) 5.281 11.781 ( 1.900 0.000 3.230) 3.747 12.869 ( 3.011 0.000 -8.743) 9.247 13.770 ( -2.098 -0.000 1.075) 2.358 13.857 ( -2.625 -0.000 -8.661) 9.050 15.511 ( 23.306 0.000 -28.047) 36.466 18.621 ( -9.681 -0.000 15.066) 17.908 23.304 ( 4.572 0.000 -5.804) 7.388 23.513 ( -7.414 -0.000 23.490) 24.632 24.874 ( -3.276 -0.000 0.110) 3.278 ======================= Grid point 254 (113/433) ======================= q-point: (-0.25 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -20.447 -4.127 3.911) 21.223 2.222 ( -32.128 -32.221 31.435) 55.304 3.263 ( -32.641 0.052 -23.540) 40.243 4.690 ( -6.891 -3.654 -5.366) 9.467 4.957 ( 26.358 2.112 4.745) 26.865 5.338 ( 1.774 4.681 2.911) 5.791 5.698 ( 2.735 7.341 -10.227) 12.883 6.147 ( -6.698 -10.768 0.551) 12.693 7.074 ( 8.840 4.430 3.802) 10.594 7.555 ( 9.496 -3.820 -6.050) 11.890 7.764 ( -10.710 5.242 -7.679) 14.183 8.533 ( 9.164 -2.675 9.794) 13.676 9.026 ( 5.396 5.465 10.601) 13.090 9.467 ( -15.563 -4.204 -6.976) 17.566 10.659 ( 4.767 -8.880 4.430) 11.010 11.822 ( 1.864 -0.790 2.963) 3.588 12.787 ( 2.224 7.200 -9.012) 11.748 13.725 ( -2.063 3.685 -2.551) 4.934 13.777 ( -2.224 1.615 -4.816) 5.546 15.270 ( 14.441 28.560 -35.062) 47.472 18.722 ( -9.489 -12.659 14.544) 21.490 23.302 ( -0.312 3.859 1.575) 4.180 23.762 ( 3.235 -20.188 20.593) 29.018 24.860 ( -3.123 -1.787 -0.404) 3.621 ======================= Grid point 255 (114/433) ======================= q-point: (-0.17 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -6.032 -27.368 -17.610) 33.099 2.695 ( -29.223 -31.292 25.473) 49.819 2.861 ( -34.382 -7.861 -16.487) 38.933 4.707 ( -4.001 -6.253 -2.866) 7.957 5.050 ( 9.014 6.216 -7.978) 13.548 5.324 ( 8.033 2.928 9.418) 12.720 5.545 ( 5.192 9.392 -7.282) 12.969 6.285 ( -4.719 -10.627 -2.807) 11.962 7.085 ( 7.241 6.039 7.254) 11.896 7.486 ( -14.124 6.183 -13.422) 20.442 7.679 ( 6.349 -5.399 -5.326) 9.891 8.684 ( 5.531 -0.116 5.025) 7.474 9.029 ( 6.713 5.568 12.286) 15.067 9.440 ( -5.316 -5.073 0.754) 7.387 10.949 ( 5.330 -16.217 5.028) 17.796 11.873 ( 1.567 -1.658 1.999) 3.033 12.547 ( -1.518 15.442 -11.025) 19.035 13.576 ( -0.586 8.445 -9.671) 12.852 13.704 ( -2.736 3.060 -0.603) 4.149 14.568 ( -5.657 31.789 -25.488) 41.136 19.029 ( -8.790 -24.102 13.354) 28.922 23.173 ( -4.101 11.614 7.703) 14.527 24.388 ( 18.886 -25.480 12.410) 34.058 24.874 ( -1.751 -3.363 -1.309) 4.011 ======================= Grid point 256 (115/433) ======================= q-point: (-0.08 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 4.555 -37.267 -27.426) 46.494 2.469 ( -33.883 -7.242 -22.484) 41.304 3.274 ( -23.166 -35.200 30.403) 51.962 4.765 ( -0.694 -3.109 -0.894) 3.309 4.922 ( -1.385 5.135 -5.612) 7.731 5.367 ( 6.126 11.516 -10.276) 16.605 5.470 ( 7.790 -2.017 10.798) 13.466 6.347 ( -3.694 -3.842 -6.940) 8.750 7.064 ( -1.884 6.963 7.022) 10.067 7.232 ( -6.817 -0.931 -13.776) 15.398 7.788 ( 2.791 -5.669 -4.032) 7.495 8.686 ( 0.523 3.026 0.243) 3.081 9.075 ( 6.131 6.868 13.104) 16.015 9.534 ( 5.472 -2.886 7.127) 9.437 11.323 ( 5.187 -16.995 4.481) 18.325 11.899 ( -2.659 0.280 -3.895) 4.724 12.176 ( -4.341 12.301 -8.390) 15.510 13.323 ( 1.447 11.948 -17.494) 21.234 13.622 ( -3.120 3.317 1.803) 4.897 14.015 ( -12.676 13.650 -2.283) 18.768 19.510 ( -7.738 -32.749 12.057) 35.745 22.921 ( -5.708 18.549 10.014) 21.838 24.829 ( 1.849 -4.721 -0.755) 5.126 25.049 ( 20.532 -11.285 1.638) 23.486 ======================= Grid point 266 (116/433) ======================= q-point: (-0.25 -0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -31.967 -0.000 26.369) 41.439 1.679 ( -33.699 -0.000 26.210) 42.692 2.795 ( -37.644 -0.000 -27.787) 46.789 4.561 ( -5.198 -0.000 -6.352) 8.208 5.218 ( 20.987 0.000 -2.582) 21.145 5.421 ( 2.981 0.000 1.936) 3.555 5.742 ( 5.290 0.000 -13.243) 14.261 5.997 ( -7.660 -0.000 10.485) 12.985 7.201 ( 6.185 0.000 3.764) 7.240 7.574 ( 8.765 0.000 -5.973) 10.606 7.668 ( -8.351 -0.000 -15.253) 17.389 8.662 ( 11.483 0.000 10.939) 15.860 9.199 ( 5.353 0.000 11.575) 12.753 9.212 ( -17.893 -0.000 -5.080) 18.600 10.649 ( 5.012 0.000 4.038) 6.436 11.847 ( 1.503 0.000 2.895) 3.262 12.830 ( 2.947 0.000 -8.110) 8.629 13.729 ( -1.173 -0.000 -8.776) 8.854 13.740 ( -2.257 -0.000 0.762) 2.383 15.492 ( 23.254 0.000 -56.942) 61.507 18.609 ( -9.575 -0.000 14.972) 17.772 23.326 ( 4.686 0.000 -5.633) 7.328 23.702 ( -8.788 -0.000 40.441) 41.385 24.813 ( -3.356 -0.000 -0.145) 3.359 ======================= Grid point 267 (117/433) ======================= q-point: (-0.17 -0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -23.780 -4.177 6.504) 25.004 1.986 ( -33.269 -36.406 35.114) 60.541 2.303 ( -40.422 -3.433 -28.141) 49.373 4.546 ( -2.249 -5.720 -3.713) 7.181 5.220 ( 5.653 9.647 -7.860) 13.668 5.469 ( 8.989 0.436 -0.914) 9.046 5.682 ( 6.245 5.060 -9.327) 12.312 6.082 ( -5.120 -7.099 8.835) 12.437 7.222 ( -2.686 0.731 -3.141) 4.197 7.410 ( -5.768 10.034 -12.506) 17.040 7.666 ( 9.473 -2.792 -5.309) 11.212 8.776 ( 3.467 3.404 5.076) 7.027 9.163 ( 0.175 -7.841 8.521) 11.581 9.308 ( 0.183 -2.547 6.896) 7.353 10.797 ( 4.802 -9.431 4.364) 11.448 11.880 ( 1.159 -0.636 2.400) 2.740 12.720 ( 0.864 11.103 -9.335) 14.532 13.628 ( -0.003 4.767 -11.829) 12.754 13.715 ( -2.343 1.276 -0.066) 2.669 14.936 ( 2.622 37.359 -58.174) 69.187 18.709 ( -9.297 -12.517 14.433) 21.246 23.315 ( -0.287 4.355 1.741) 4.699 24.173 ( 10.194 -29.121 35.471) 47.012 24.800 ( -2.772 -2.185 -0.247) 3.539 ======================= Grid point 268 (118/433) ======================= q-point: (-0.08 -0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -4.082 -32.758 -18.870) 38.024 1.862 ( -39.262 -8.331 -27.306) 48.544 2.584 ( -28.159 -40.108 37.525) 61.723 4.659 ( 1.552 -7.757 0.348) 7.918 5.028 ( -0.629 9.924 -3.941) 10.697 5.497 ( 8.061 5.263 -15.189) 17.983 5.597 ( 3.442 3.811 4.709) 6.967 6.172 ( -6.506 -6.414 -0.853) 9.176 7.021 ( -14.481 0.965 -17.730) 22.913 7.264 ( 4.056 6.489 4.900) 9.087 7.766 ( 8.580 -0.979 -1.779) 8.817 8.732 ( -1.638 2.448 0.889) 3.077 9.291 ( 2.243 5.698 11.539) 13.063 9.523 ( 10.387 -12.155 8.215) 17.975 11.093 ( 4.370 -16.838 4.604) 17.995 11.895 ( -1.193 1.819 -0.554) 2.245 12.323 ( -9.474 19.981 -14.415) 26.397 13.406 ( 1.244 9.555 -25.044) 26.833 13.657 ( -2.473 2.853 0.730) 3.846 14.114 ( -15.445 18.171 -13.693) 27.499 19.018 ( -8.396 -24.191 13.356) 28.881 23.182 ( -4.249 11.826 7.770) 14.774 24.770 ( 1.034 -3.893 1.490) 4.295 25.035 ( 26.091 -19.763 11.078) 34.555 ======================= Grid point 279 (119/433) ======================= q-point: (-0.17 -0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -34.113 -0.000 36.598) 50.031 1.345 ( -37.138 -0.000 32.265) 49.196 1.720 ( -44.083 -0.000 -30.364) 53.528 4.460 ( -0.568 -0.000 -2.481) 2.545 5.327 ( 4.833 0.000 -14.732) 15.505 5.486 ( 3.260 0.000 -0.553) 3.307 5.711 ( 7.557 0.000 -15.400) 17.154 6.092 ( -0.645 -0.000 16.356) 16.369 7.025 ( -17.661 -0.000 -27.076) 32.327 7.578 ( 11.411 0.000 4.258) 12.179 7.650 ( 6.759 0.000 -5.838) 8.932 8.911 ( -14.486 -0.000 4.231) 15.091 8.979 ( 10.821 0.000 6.659) 12.706 9.392 ( 2.086 0.000 11.148) 11.341 10.779 ( 3.958 0.000 4.074) 5.680 11.896 ( 0.758 0.000 2.282) 2.405 12.803 ( 3.177 0.000 -6.981) 7.669 13.592 ( 0.630 0.000 -20.725) 20.735 13.707 ( -1.988 -0.000 0.424) 2.032 14.982 ( 9.861 0.000 -99.352) 99.840 18.598 ( -9.375 -0.000 14.730) 17.460 23.349 ( 4.443 0.000 -5.550) 7.109 24.169 ( -2.729 -0.000 71.489) 71.541 24.755 ( -2.811 -0.000 0.117) 2.814 ======================= Grid point 280 (120/433) ======================= q-point: (-0.08 -0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -25.767 -3.772 12.774) 29.006 1.198 ( -42.840 -7.034 -27.171) 51.215 1.826 ( -31.974 -42.156 42.918) 68.128 4.552 ( 4.625 -9.172 2.049) 10.474 5.176 ( 1.079 9.441 -6.536) 11.533 5.531 ( 8.649 1.291 -23.566) 25.136 5.648 ( -2.871 1.373 -0.257) 3.192 6.096 ( -6.794 4.445 5.911) 10.043 6.734 ( -16.751 -6.707 -20.647) 27.420 7.468 ( 2.800 12.242 3.730) 13.101 7.860 ( 15.018 -2.181 2.821) 15.436 8.752 ( -6.632 3.338 3.827) 8.353 9.357 ( 7.912 -14.957 2.519) 17.107 9.459 ( 5.432 -4.443 14.340) 15.965 10.917 ( 2.860 -9.919 4.408) 11.224 11.913 ( -0.046 0.462 1.319) 1.398 12.523 ( -13.129 27.112 -21.654) 37.099 13.345 ( -2.755 3.585 -47.663) 47.877 13.679 ( -1.798 1.604 0.331) 2.432 14.177 ( -16.388 19.503 -31.835) 40.772 18.699 ( -8.961 -12.624 14.360) 21.116 23.328 ( -0.468 4.785 1.827) 5.143 24.735 ( -0.809 -1.556 2.269) 2.867 24.998 ( 29.607 -28.351 39.988) 57.266 ======================= Grid point 292 (121/433) ======================= q-point: (-0.08 -0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -41.523 -0.000 -19.246) 45.767 1.068 ( -36.364 -0.000 41.979) 55.539 1.089 ( -32.509 -0.000 51.708) 61.078 4.473 ( 1.757 0.000 1.733) 2.467 5.219 ( 2.761 0.000 -13.453) 13.734 5.432 ( -2.129 -0.000 -30.648) 30.722 5.691 ( 3.469 0.000 13.581) 14.017 6.227 ( -2.864 -0.000 11.964) 12.302 6.258 ( -25.012 -0.000 -14.755) 29.040 7.696 ( 5.427 0.000 -5.853) 7.982 8.063 ( 29.998 0.000 18.134) 35.053 8.805 ( -6.035 -0.000 18.819) 19.763 9.150 ( 4.613 0.000 -2.136) 5.083 9.509 ( -2.421 -0.000 9.963) 10.253 10.874 ( 1.295 0.000 4.541) 4.722 11.924 ( -0.103 -0.000 1.811) 1.814 12.583 ( -55.808 -0.000 -113.489) 126.469 12.795 ( 3.521 0.000 -5.619) 6.631 13.680 ( -1.242 -0.000 0.086) 1.245 14.087 ( -6.449 -0.000 -15.483) 16.772 18.589 ( -9.097 -0.000 14.586) 17.190 23.365 ( 3.936 0.000 -5.585) 6.833 24.718 ( -1.606 -0.000 0.851) 1.817 25.291 ( 34.338 0.000 66.367) 74.725 ======================= Grid point 293 (122/433) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 30.670 0.000 37.817) 48.691 1.931 ( -24.053 -0.000 45.999) 51.908 2.337 ( -18.843 -0.000 54.935) 58.077 4.697 ( 3.866 0.000 9.184) 9.964 4.911 ( 6.465 0.000 -12.983) 14.504 5.300 ( -3.477 -0.000 0.320) 3.492 5.914 ( 2.317 0.000 -3.986) 4.611 6.377 ( -12.123 -0.000 5.538) 13.328 6.746 ( 23.158 0.000 7.681) 24.399 7.567 ( 9.081 0.000 -10.273) 13.711 8.193 ( 3.283 0.000 -8.938) 9.522 8.905 ( -7.903 -0.000 -9.646) 12.470 9.240 ( -5.543 -0.000 5.349) 7.703 9.580 ( -11.917 -0.000 2.298) 12.136 11.050 ( -7.088 -0.000 8.596) 11.141 11.962 ( -2.488 -0.000 1.488) 2.899 12.067 ( 58.349 0.000 -2.419) 58.399 12.688 ( 6.110 0.000 -7.151) 9.406 13.662 ( 0.081 0.000 -0.236) 0.250 14.265 ( 20.016 0.000 -3.794) 20.372 19.018 ( -15.533 -0.000 27.246) 31.363 23.196 ( 6.855 0.000 -11.787) 13.635 24.771 ( 0.241 0.000 3.437) 3.445 25.401 ( -32.461 -0.000 -2.105) 32.529 ======================= Grid point 294 (123/433) ======================= q-point: ( 0.08 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -15.371 23.328 45.571) 53.452 2.227 ( 29.545 -2.625 34.969) 45.854 2.883 ( -18.200 -33.541 47.861) 61.212 4.828 ( -0.967 -5.147 11.740) 12.855 4.869 ( 5.933 3.203 -12.346) 14.067 5.387 ( 2.150 -13.145 -5.280) 14.328 5.870 ( 1.543 6.197 -1.482) 6.556 6.232 ( -9.565 5.248 2.399) 11.171 6.908 ( 12.528 5.153 0.750) 13.567 7.543 ( 10.761 6.507 -5.259) 13.631 8.124 ( -2.019 3.087 -2.052) 4.221 8.662 ( -6.359 7.586 -5.657) 11.401 9.243 ( -7.978 0.921 2.012) 8.279 9.561 ( -13.547 -8.956 -1.201) 16.284 11.108 ( -7.298 -8.688 7.817) 13.779 11.934 ( -1.112 0.888 0.578) 1.536 12.461 ( 41.656 10.289 -4.176) 43.110 12.729 ( 16.071 -1.161 -12.667) 20.496 13.655 ( 0.453 1.145 0.337) 1.276 14.376 ( 21.009 6.965 -6.208) 22.987 19.133 ( -15.060 -12.394 27.042) 33.342 23.250 ( 5.764 -4.839 -9.980) 12.500 24.784 ( -1.615 1.272 3.766) 4.290 25.066 ( -31.738 0.393 -0.145) 31.740 ======================= Grid point 295 (124/433) ======================= q-point: ( 0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -3.178 -0.032 29.112) 29.285 2.708 ( 28.619 -1.584 29.167) 40.893 3.512 ( -15.185 -29.046 38.290) 50.402 4.797 ( 3.823 2.878 -9.640) 10.763 4.962 ( -6.297 -7.558 10.485) 14.378 5.605 ( -3.355 -2.919 -5.810) 7.317 5.785 ( 3.954 -4.691 2.000) 6.453 6.089 ( 1.157 5.230 -4.935) 7.284 6.819 ( 2.632 11.034 -1.448) 11.436 7.508 ( 10.399 8.125 0.444) 13.204 8.098 ( -2.629 -2.650 4.024) 5.489 8.511 ( -2.976 1.873 -7.536) 8.316 9.109 ( -8.392 5.667 1.374) 10.220 9.549 ( -11.815 -3.802 -2.805) 12.725 11.268 ( -7.213 -12.532 5.885) 15.611 11.932 ( -1.178 -1.983 0.375) 2.337 12.473 ( 14.402 12.933 0.374) 19.360 12.847 ( 28.166 5.405 -14.566) 32.167 13.640 ( 0.457 1.428 1.571) 2.172 14.349 ( 12.019 10.377 -2.391) 16.058 19.451 ( -14.290 -23.476 26.212) 37.979 23.281 ( 0.878 3.066 -1.077) 3.366 24.679 ( -15.843 -0.760 -4.527) 16.495 24.922 ( -5.145 -2.599 -2.299) 6.206 ======================= Grid point 296 (125/433) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 9.481 -21.973 5.722) 24.606 3.106 ( 22.784 -0.431 22.645) 32.126 3.948 ( -9.106 -14.423 21.975) 27.818 4.736 ( 1.380 1.429 -9.089) 9.303 5.088 ( -13.173 -9.921 9.687) 19.126 5.432 ( -4.636 7.071 0.598) 8.476 5.837 ( 0.261 9.044 -0.130) 9.048 6.203 ( 11.216 -12.978 -9.455) 19.587 6.671 ( 0.238 4.502 4.362) 6.273 7.447 ( 5.922 7.854 -0.747) 9.865 8.185 ( -2.146 -5.811 4.843) 7.863 8.440 ( -1.569 -0.289 -6.850) 7.033 8.948 ( -7.609 5.111 2.661) 9.544 9.448 ( -7.642 2.780 -2.688) 8.565 11.428 ( -6.337 -9.775 3.049) 12.041 11.999 ( -1.869 -7.603 0.291) 7.835 12.359 ( 8.589 12.409 1.091) 15.131 12.869 ( 22.859 10.969 -11.283) 27.751 13.640 ( -0.055 0.224 3.377) 3.385 14.242 ( 3.634 9.982 2.062) 10.821 19.939 ( -13.371 -31.882 24.962) 42.642 23.118 ( -5.957 16.096 9.549) 19.641 24.579 ( -9.131 -8.010 -16.207) 20.253 24.933 ( 2.203 -0.804 -2.268) 3.263 ======================= Grid point 297 (126/433) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 15.043 -30.993 -8.145) 35.401 3.359 ( 11.384 1.112 12.841) 17.196 4.054 ( -2.805 2.755 2.259) 4.535 4.660 ( -0.814 1.640 -10.153) 10.316 5.060 ( -6.301 5.171 4.744) 9.431 5.457 ( -10.483 -11.355 9.849) 18.326 5.646 ( 4.590 12.333 -3.696) 13.668 6.296 ( -3.175 2.351 5.186) 6.519 6.855 ( 9.256 -15.416 -0.632) 17.993 7.333 ( 1.385 7.992 -4.636) 9.343 8.276 ( -2.386 -4.455 4.111) 6.515 8.406 ( -2.292 -0.915 -4.033) 4.728 8.838 ( -9.296 1.483 2.655) 9.781 9.328 ( 1.415 5.714 1.594) 6.098 11.503 ( -5.956 -4.567 0.676) 7.536 12.150 ( -1.867 -11.971 -1.668) 12.230 12.242 ( 6.515 10.034 1.831) 12.103 12.781 ( 17.538 14.318 -8.683) 24.248 13.672 ( -1.885 -2.130 5.352) 6.061 14.110 ( -1.509 9.140 5.895) 10.980 20.540 ( -12.507 -36.669 23.456) 45.291 22.753 ( -9.538 25.485 14.368) 30.772 24.587 ( -3.008 -10.164 -19.389) 22.097 24.955 ( 5.557 0.515 -3.373) 6.521 ======================= Grid point 298 (127/433) ======================= q-point: ( 0.42 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 7.195 -20.156 -10.124) 23.675 3.448 ( 3.536 -7.601 -5.035) 9.779 3.855 ( 1.853 16.015 -12.161) 20.194 4.586 ( 2.826 1.918 -5.980) 6.886 4.959 ( -0.600 5.271 3.487) 6.349 5.390 ( -0.319 13.167 2.534) 13.412 5.670 ( -9.853 -11.113 5.894) 15.979 6.260 ( -5.386 1.557 11.723) 12.995 7.143 ( 0.785 1.965 -11.011) 11.212 7.177 ( 4.364 -5.534 -2.569) 7.501 8.329 ( -1.962 3.618 10.495) 11.273 8.413 ( -0.761 -8.735 -6.864) 11.135 8.711 ( -13.188 1.817 0.245) 13.314 9.355 ( 10.687 1.310 9.423) 14.308 11.491 ( -6.866 -1.388 -1.046) 7.082 12.164 ( 5.930 6.698 1.859) 9.137 12.332 ( -1.296 -12.667 -5.162) 13.740 12.623 ( 13.915 16.003 -6.388) 22.148 13.731 ( -5.200 -4.572 6.293) 9.356 13.977 ( -3.725 8.437 9.729) 13.406 21.188 ( -11.870 -37.584 21.828) 45.055 22.257 ( -10.594 31.448 16.061) 36.867 24.636 ( -0.341 -8.882 -17.412) 19.550 24.983 ( 9.087 1.168 -5.436) 10.653 ======================= Grid point 299 (128/433) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -18.697 6.973 -12.009) 23.290 3.400 ( 6.213 27.111 -18.929) 33.644 3.889 ( 14.421 -30.101 -16.845) 37.387 4.569 ( 3.564 2.740 -0.271) 4.504 4.900 ( -2.028 2.398 2.510) 4.020 5.176 ( 0.591 14.868 7.239) 16.547 5.757 ( -10.594 -6.613 6.193) 13.940 6.264 ( -4.643 -0.451 6.575) 8.061 6.942 ( -4.843 6.755 -8.423) 11.833 7.302 ( 4.685 -2.268 -8.250) 9.754 8.217 ( -4.321 8.434 0.523) 9.491 8.597 ( -4.173 -4.309 9.258) 11.031 8.620 ( -2.029 -9.671 -1.919) 10.066 9.533 ( 11.654 -1.910 12.384) 17.112 11.428 ( -7.845 -0.706 -2.385) 8.230 12.135 ( 4.295 3.415 0.453) 5.506 12.418 ( 8.815 14.537 -2.074) 17.127 12.504 ( 2.759 -8.648 -10.356) 13.771 13.768 ( -8.811 -2.353 3.853) 9.900 13.893 ( -3.787 3.572 14.853) 15.739 21.680 ( -10.735 35.210 17.514) 40.764 21.817 ( -11.781 -34.969 19.993) 41.968 24.686 ( 0.795 -6.615 -13.615) 15.158 25.025 ( 12.971 1.314 -8.311) 15.461 ======================= Grid point 300 (129/433) ======================= q-point: (-0.42 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -26.355 11.888 -16.644) 33.361 2.820 ( 6.652 33.780 -21.643) 40.667 4.410 ( 11.095 -16.689 -5.659) 20.824 4.531 ( -0.128 -2.247 -3.477) 4.142 4.871 ( -3.463 -0.609 2.641) 4.397 4.991 ( -0.021 12.887 12.284) 17.804 5.788 ( -7.073 -2.486 6.753) 10.090 6.242 ( -3.137 0.180 -1.748) 3.595 6.744 ( -5.227 4.480 -13.358) 15.028 7.290 ( 3.690 2.602 -4.172) 6.148 8.030 ( -2.743 8.688 0.654) 9.134 8.609 ( -3.714 -2.407 3.715) 5.778 8.890 ( 0.931 -14.191 5.519) 15.255 9.737 ( 10.107 -1.875 12.305) 16.033 11.362 ( -8.152 -2.394 -3.363) 9.138 12.101 ( 2.529 5.191 -4.472) 7.304 12.225 ( 7.351 14.553 4.286) 16.858 12.622 ( 2.561 -8.949 -13.757) 16.610 13.709 ( -7.246 1.744 5.178) 9.075 13.930 ( -6.546 -2.550 13.271) 15.016 21.060 ( -11.634 37.039 19.154) 43.291 22.374 ( -10.908 -29.997 18.012) 36.650 24.725 ( 1.209 -4.315 -9.573) 10.570 25.087 ( 16.634 0.936 -11.251) 20.104 ======================= Grid point 301 (130/433) ======================= q-point: (-0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -26.991 14.930 -15.411) 34.481 2.171 ( 4.176 34.909 -17.397) 39.227 4.280 ( -9.607 18.887 18.284) 27.987 4.844 ( 9.106 -12.206 -6.269) 16.468 4.888 ( 0.768 6.431 9.800) 11.747 4.907 ( -5.015 -8.955 0.155) 10.265 5.782 ( -2.529 1.516 4.393) 5.291 6.192 ( -1.431 2.829 -2.903) 4.299 6.570 ( -3.392 -1.772 -19.636) 20.005 7.262 ( 3.277 2.832 -1.417) 4.557 7.910 ( 1.611 5.827 3.754) 7.116 8.641 ( -2.237 -2.781 1.231) 3.775 9.145 ( -1.454 -12.309 4.954) 13.348 9.902 ( 8.233 -0.024 10.578) 13.404 11.332 ( -7.836 -5.201 -4.008) 10.223 11.908 ( 2.786 16.086 -0.986) 16.355 12.151 ( 1.827 4.156 3.032) 5.459 12.697 ( 3.598 -6.312 -16.565) 18.088 13.658 ( -5.383 0.523 4.580) 7.087 13.979 ( -6.976 -2.504 10.881) 13.166 20.438 ( -12.565 35.757 21.245) 43.448 22.822 ( -9.210 -22.795 14.722) 28.656 24.748 ( 1.053 -2.236 -5.841) 6.342 25.177 ( 18.846 -0.521 -13.185) 23.006 ======================= Grid point 302 (131/433) ======================= q-point: (-0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -17.512 17.582 -5.016) 25.317 1.578 ( -4.518 26.106 -2.252) 26.589 3.884 ( -17.080 28.454 29.714) 44.545 4.860 ( -0.698 2.292 7.428) 7.805 4.960 ( 0.088 -1.744 1.547) 2.333 5.103 ( 8.687 -8.973 -2.671) 12.772 5.759 ( -0.783 0.691 2.052) 2.303 6.040 ( -3.860 7.741 -5.984) 10.518 6.599 ( 1.123 -10.568 -10.491) 14.934 7.227 ( 2.493 2.318 -3.776) 5.084 7.908 ( 6.364 1.541 4.251) 7.807 8.671 ( -2.198 -2.927 -0.496) 3.693 9.326 ( -3.691 -9.086 3.171) 10.307 9.994 ( 6.652 3.158 7.057) 10.199 11.348 ( -6.285 -6.424 -3.423) 9.617 11.643 ( -0.605 16.493 2.954) 16.766 12.109 ( -0.504 3.073 1.437) 3.430 12.719 ( 4.636 -2.913 -17.703) 18.530 13.641 ( -3.630 -0.873 2.757) 4.641 14.008 ( -4.793 -1.304 8.268) 9.645 19.869 ( -13.644 31.006 23.435) 41.191 23.130 ( -5.288 -13.616 8.559) 16.930 24.757 ( 0.502 -0.682 -2.608) 2.743 25.308 ( 17.276 -3.864 -12.802) 21.847 ======================= Grid point 303 (132/433) ======================= q-point: (-0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 2.844 12.186 19.910) 23.516 1.291 ( -14.786 2.381 27.096) 30.960 3.347 ( -21.484 35.400 38.609) 56.616 4.843 ( 0.678 6.472 5.882) 8.772 4.923 ( -0.905 0.047 -9.360) 9.404 5.347 ( 18.515 -0.476 5.214) 19.240 5.797 ( -3.352 -7.228 8.360) 11.548 5.895 ( -3.621 0.005 -4.017) 5.408 6.706 ( 0.126 -1.161 1.292) 1.742 7.248 ( 5.224 -6.410 -7.129) 10.917 8.000 ( 9.303 -1.972 0.127) 9.511 8.701 ( -3.312 -4.224 -0.357) 5.380 9.417 ( -4.799 -4.823 0.682) 6.838 9.975 ( 4.027 8.285 1.089) 9.276 11.364 ( 3.867 15.185 9.937) 18.555 11.416 ( -8.533 -5.909 -4.310) 11.238 12.054 ( -1.140 3.306 1.660) 3.872 12.697 ( 6.122 0.099 -15.334) 16.511 13.646 ( -2.098 -1.407 1.001) 2.717 14.038 ( 0.265 -0.669 5.550) 5.596 19.412 ( -14.686 22.876 25.358) 37.176 23.272 ( 0.947 -2.921 -1.122) 3.269 24.755 ( -0.120 0.124 0.080) 0.190 25.474 ( 8.372 -8.560 -10.492) 15.920 ======================= Grid point 304 (133/433) ======================= q-point: (-0.08 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 21.410 -0.294 37.804) 43.447 1.524 ( -18.887 -21.081 46.790) 54.685 2.744 ( -22.851 37.762 46.296) 63.964 4.713 ( 3.486 10.004 3.997) 11.323 4.910 ( 1.423 -2.259 -8.264) 8.685 5.378 ( 3.955 7.138 -0.067) 8.161 5.895 ( -1.181 -3.781 -4.481) 5.981 6.158 ( 8.922 -18.171 15.362) 25.412 6.656 ( 3.485 8.729 7.219) 11.851 7.442 ( 8.560 -10.663 -8.549) 16.126 8.130 ( 8.903 -4.773 -6.462) 11.992 8.787 ( -4.666 -11.611 0.698) 12.532 9.392 ( -4.220 3.410 -2.819) 6.114 9.779 ( -5.160 12.769 -0.983) 13.807 11.151 ( -6.639 9.558 8.028) 14.138 11.587 ( 24.369 -4.362 5.913) 25.453 12.004 ( -0.032 3.145 2.231) 3.856 12.678 ( 6.917 0.607 -10.128) 12.280 13.657 ( -0.815 -1.044 -0.048) 1.326 14.115 ( 8.946 -1.423 2.079) 9.294 19.117 ( -15.419 12.169 26.676) 33.128 23.250 ( 5.988 4.442 -9.663) 12.205 24.756 ( -0.289 0.147 2.227) 2.251 25.572 ( -11.325 -8.055 -8.444) 16.261 ======================= Grid point 306 (134/433) ======================= q-point: ( 0.08 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -17.440 -0.000 45.846) 49.051 2.412 ( -3.519 -0.000 43.243) 43.386 2.802 ( 15.643 0.000 40.812) 43.707 4.822 ( -2.701 -0.000 4.177) 4.974 4.930 ( 11.807 0.000 -10.541) 15.828 5.228 ( -2.034 -0.000 -2.771) 3.438 5.958 ( 5.142 0.000 -1.133) 5.265 6.128 ( -17.877 -0.000 0.924) 17.901 7.070 ( 9.369 0.000 -3.104) 9.870 7.639 ( 9.359 0.000 -7.299) 11.869 8.120 ( -3.800 -0.000 -0.518) 3.835 8.597 ( -12.319 -0.000 -11.329) 16.736 9.278 ( 2.239 0.000 12.104) 12.309 9.332 ( -14.771 -0.000 -1.959) 14.900 11.004 ( -8.513 -0.000 8.554) 12.068 11.914 ( -3.550 -0.000 -0.112) 3.552 12.718 ( 5.957 0.000 -7.624) 9.675 12.964 ( 45.778 0.000 -16.099) 48.526 13.675 ( 1.161 0.000 0.377) 1.220 14.634 ( 32.009 0.000 -20.991) 38.277 19.037 ( -15.327 -0.000 27.565) 31.540 23.187 ( 6.427 0.000 -11.925) 13.547 24.748 ( -41.040 -0.000 12.745) 42.974 24.828 ( 1.013 0.000 4.637) 4.747 ======================= Grid point 307 (135/433) ======================= q-point: ( 0.17 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -11.333 21.045 43.193) 49.365 2.953 ( -0.031 -23.966 36.384) 43.568 3.216 ( 9.969 -8.352 36.285) 38.545 4.769 ( -2.018 -0.265 -17.411) 17.530 4.927 ( -0.514 3.504 7.041) 7.881 5.373 ( 1.479 -14.758 -2.424) 15.029 5.873 ( -3.822 6.704 1.953) 7.961 6.059 ( -2.738 -2.022 -2.972) 4.518 7.010 ( 2.350 9.291 -6.113) 11.367 7.683 ( 9.076 2.056 -3.889) 10.086 8.067 ( -4.892 1.145 3.816) 6.309 8.422 ( -9.818 -0.382 -9.677) 13.790 9.130 ( -11.611 4.808 -0.671) 12.585 9.439 ( 3.487 -3.101 7.571) 8.894 11.043 ( -9.510 -8.428 8.334) 15.196 11.884 ( -3.497 -0.881 -0.696) 3.673 12.684 ( 6.136 5.279 -7.138) 10.792 13.191 ( 33.612 5.838 -13.404) 36.654 13.681 ( 1.587 1.082 0.952) 2.144 14.668 ( 24.624 12.335 -20.444) 34.299 19.155 ( -15.172 -12.521 27.369) 33.705 23.242 ( 5.650 -5.566 -10.446) 13.116 24.453 ( -33.229 1.031 10.551) 34.879 24.880 ( 0.560 -1.655 4.311) 4.651 ======================= Grid point 308 (136/433) ======================= q-point: ( 0.25 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.544 0.938 26.712) 26.734 3.421 ( 18.818 -1.413 19.161) 26.893 3.682 ( -11.062 -22.361 36.195) 43.960 4.635 ( -8.668 -2.753 -19.372) 21.401 4.904 ( -6.598 -1.198 4.963) 8.343 5.491 ( -4.550 1.723 3.085) 5.761 5.916 ( 4.548 -5.344 6.502) 9.566 6.051 ( 5.872 -3.869 -11.196) 13.221 6.801 ( -1.593 10.207 -3.897) 11.041 7.642 ( 4.506 8.618 -0.435) 9.735 8.074 ( -3.303 -4.779 -0.369) 5.822 8.342 ( -6.566 -3.247 -4.340) 8.514 8.938 ( -12.494 3.813 -1.585) 13.158 9.520 ( 8.302 4.155 6.461) 11.311 11.183 ( -9.776 -12.427 7.154) 17.355 11.883 ( -3.195 -3.464 -0.761) 4.773 12.583 ( 5.751 8.398 -6.054) 11.842 13.250 ( 25.708 11.245 -9.770) 29.712 13.682 ( 2.267 1.602 1.641) 3.225 14.503 ( 12.057 14.849 -11.173) 22.152 19.476 ( -14.676 -23.676 26.547) 38.479 23.284 ( 0.772 2.746 -1.116) 3.064 24.255 ( -20.803 -5.272 -2.695) 21.629 24.935 ( 1.641 -1.340 2.582) 3.340 ======================= Grid point 309 (137/433) ======================= q-point: ( 0.33 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 9.653 -18.735 5.653) 21.820 3.553 ( 4.316 6.511 4.354) 8.943 4.033 ( -3.894 -8.048 14.887) 17.366 4.560 ( -6.618 -6.399 -6.687) 11.378 4.930 ( -11.643 -7.997 7.894) 16.181 5.404 ( -0.115 5.156 0.791) 5.218 5.872 ( 3.378 10.552 0.371) 11.086 6.262 ( 2.086 -7.918 -2.301) 8.506 6.710 ( 2.468 -5.557 -1.678) 6.308 7.492 ( 0.457 10.853 -0.848) 10.896 8.125 ( -2.570 -6.933 -8.701) 11.418 8.353 ( -4.872 -3.211 5.377) 7.935 8.763 ( -12.756 2.143 -1.680) 13.043 9.544 ( 12.617 7.841 7.407) 16.600 11.327 ( -9.103 -9.857 4.938) 14.297 11.945 ( -3.161 -7.959 -0.822) 8.603 12.451 ( 5.190 9.190 -4.693) 11.550 13.185 ( 20.508 15.576 -7.069) 26.705 13.683 ( 1.395 1.494 1.988) 2.851 14.304 ( 2.982 11.745 -2.087) 12.296 19.964 ( -14.014 -32.053 25.209) 43.120 23.112 ( -6.504 16.932 10.183) 20.801 24.236 ( -8.042 -12.872 -15.081) 21.396 24.984 ( 3.322 -0.858 0.186) 3.436 ======================= Grid point 310 (138/433) ======================= q-point: ( 0.42 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 13.136 -26.350 -7.937) 30.494 3.362 ( -12.281 5.408 -11.940) 17.962 4.057 ( 4.405 8.642 -2.888) 10.121 4.610 ( 3.246 -1.475 1.296) 3.793 4.995 ( -8.897 -2.726 7.193) 11.761 5.370 ( -6.878 -4.762 3.328) 9.003 5.710 ( 4.877 12.268 0.889) 13.232 6.273 ( -7.371 0.782 6.745) 10.022 6.962 ( 7.901 -15.164 -7.809) 18.798 7.286 ( -1.936 11.327 -1.207) 11.554 8.183 ( -2.602 -9.555 -11.471) 15.154 8.398 ( -2.628 -0.313 11.183) 11.492 8.612 ( -12.469 1.033 -0.884) 12.543 9.594 ( 14.630 5.924 9.613) 18.481 11.385 ( -8.371 -3.940 2.687) 9.635 12.082 ( -2.723 -11.814 -2.272) 12.335 12.327 ( 4.468 7.758 -3.670) 9.676 13.032 ( 16.615 18.121 -5.133) 25.115 13.680 ( -1.821 -0.057 2.104) 2.783 14.145 ( -1.574 8.940 5.862) 10.806 20.561 ( -13.438 -36.717 23.518) 45.627 22.738 ( -9.227 25.711 14.269) 30.819 24.337 ( -1.575 -13.709 -17.308) 22.135 25.030 ( 5.627 -0.696 -2.785) 6.317 ======================= Grid point 311 (139/433) ======================= q-point: (-0.50 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -13.900 5.140 -14.400) 20.664 3.386 ( 9.447 -28.477 -18.025) 35.001 3.802 ( 8.154 21.877 -14.072) 27.261 4.658 ( 4.042 1.985 3.347) 5.611 4.930 ( -4.295 3.728 0.357) 5.698 5.415 ( -8.457 -0.458 10.334) 13.361 5.597 ( 0.405 3.478 3.781) 5.153 6.229 ( -8.197 -0.376 4.282) 9.255 7.033 ( -1.397 9.460 -3.797) 10.288 7.222 ( 5.811 -6.906 -7.262) 11.584 8.234 ( -5.080 -3.354 -8.262) 10.262 8.432 ( -2.129 -3.877 2.318) 4.994 8.553 ( -5.964 -3.039 10.372) 12.344 9.712 ( 12.733 1.865 10.779) 16.786 11.349 ( -8.119 0.005 1.254) 8.215 12.228 ( 1.412 2.502 -2.727) 3.961 12.256 ( 1.077 -9.397 -6.443) 11.445 12.828 ( 12.707 18.615 -3.323) 22.782 13.676 ( -5.383 -1.706 2.734) 6.274 14.035 ( -3.503 7.047 11.957) 14.315 21.198 ( -13.066 -37.516 21.618) 45.227 22.247 ( -9.675 31.370 15.901) 36.476 24.463 ( 1.298 -11.412 -14.999) 18.892 25.082 ( 8.435 -0.946 -6.427) 10.646 ======================= Grid point 312 (140/433) ======================= q-point: (-0.42 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -18.899 13.106 -15.044) 27.481 3.339 ( 10.484 30.964 -20.057) 38.354 3.948 ( 13.036 -32.461 -18.226) 39.444 4.635 ( -0.522 5.662 5.579) 7.966 4.846 ( -3.834 0.805 -0.384) 3.936 5.319 ( -0.900 13.184 16.090) 20.821 5.637 ( -6.475 -6.919 3.362) 10.054 6.175 ( -6.647 -1.100 -3.290) 7.497 6.826 ( -0.249 11.456 -2.837) 11.804 7.306 ( 5.005 -1.935 -7.323) 9.078 8.126 ( -4.205 5.196 -0.288) 6.690 8.515 ( -3.733 -6.913 -2.081) 8.127 8.705 ( -0.865 -9.952 11.120) 14.948 9.860 ( 8.313 -0.716 10.080) 13.085 11.273 ( -7.322 0.736 0.675) 7.390 12.162 ( 1.996 3.535 -4.454) 6.026 12.406 ( 1.870 -9.636 -9.263) 13.496 12.605 ( 8.583 17.226 -1.196) 19.283 13.664 ( -7.000 -1.263 4.247) 8.284 13.975 ( -5.100 3.934 14.738) 16.084 21.669 ( -10.995 30.910 17.014) 36.957 21.824 ( -11.666 -30.651 20.168) 38.501 24.578 ( 2.719 -8.343 -11.508) 14.472 25.146 ( 11.243 -1.451 -10.663) 15.563 ======================= Grid point 313 (141/433) ======================= q-point: (-0.33 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -12.036 16.110 -8.358) 21.778 2.748 ( 10.633 36.301 -20.838) 43.186 4.430 ( 0.462 -16.142 -11.232) 19.670 4.549 ( 1.714 -0.219 5.711) 5.966 4.850 ( -1.490 -3.889 3.144) 5.218 5.165 ( -0.563 14.681 18.664) 23.752 5.712 ( -4.567 -5.498 1.132) 7.237 6.141 ( -2.716 -4.226 -5.603) 7.526 6.597 ( 2.411 13.163 -8.377) 15.788 7.319 ( 3.778 1.267 -3.791) 5.500 8.028 ( -0.673 4.603 4.438) 6.429 8.570 ( -2.684 -4.028 -0.330) 4.852 8.935 ( -2.528 -12.378 5.890) 13.938 9.983 ( 2.861 -1.704 7.717) 8.404 11.218 ( -4.882 -0.781 0.980) 5.041 12.084 ( 1.391 4.966 -5.370) 7.445 12.367 ( 4.443 14.636 1.511) 15.370 12.539 ( 3.896 -6.931 -11.912) 14.321 13.640 ( -6.041 0.073 5.508) 8.176 13.966 ( -6.520 0.397 14.159) 15.593 21.064 ( -10.931 37.006 19.347) 43.165 22.363 ( -11.564 -30.042 17.678) 36.726 24.667 ( 3.151 -5.230 -7.932) 10.010 25.218 ( 13.058 -2.186 -15.170) 20.135 ======================= Grid point 314 (142/433) ======================= q-point: (-0.25 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 3.154 16.554 6.346) 18.007 2.105 ( 8.217 36.811 -15.095) 40.626 4.262 ( -12.728 15.896 15.826) 25.790 4.768 ( -3.731 -9.909 -3.456) 11.138 5.026 ( 3.288 0.024 10.986) 11.468 5.066 ( 7.906 -2.985 9.172) 12.471 5.730 ( -2.874 -1.619 -3.011) 4.466 6.192 ( 2.348 4.633 2.372) 5.710 6.394 ( 4.081 -1.081 -15.750) 16.306 7.289 ( 2.553 3.542 -2.935) 5.261 8.008 ( 2.320 2.316 6.466) 7.249 8.601 ( -1.963 -2.750 -1.665) 3.767 9.124 ( -5.071 -11.064 2.723) 12.472 10.045 ( -2.616 -1.567 3.745) 4.830 11.233 ( 0.042 -2.924 2.282) 3.709 11.933 ( 1.318 12.303 -1.645) 12.482 12.200 ( 0.548 8.206 2.185) 8.509 12.614 ( 5.585 -4.915 -14.054) 15.901 13.619 ( -4.202 0.085 4.801) 6.381 13.992 ( -5.667 -1.498 12.077) 13.424 20.448 ( -11.945 35.922 21.644) 43.606 22.809 ( -9.563 -23.279 14.491) 29.041 24.725 ( 2.748 -2.508 -4.629) 5.939 25.287 ( 11.978 -3.299 -19.142) 22.821 ======================= Grid point 315 (143/433) ======================= q-point: (-0.17 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 13.259 20.090 11.808) 26.811 1.598 ( 9.501 19.354 13.928) 25.668 3.889 ( -16.837 25.988 28.236) 41.906 4.814 ( -4.201 -3.681 -2.125) 5.976 4.991 ( -0.110 6.207 10.524) 12.218 5.461 ( 15.960 -15.275 8.794) 23.778 5.718 ( 0.726 -1.620 -4.823) 5.139 5.977 ( 1.921 15.238 -3.177) 15.683 6.574 ( 3.434 -13.854 -4.024) 14.830 7.236 ( 3.439 2.446 -2.928) 5.136 8.047 ( 3.246 0.212 4.370) 5.448 8.612 ( -2.091 -2.471 -3.265) 4.598 9.243 ( -7.391 -8.504 0.378) 11.273 10.015 ( -7.919 0.674 -1.634) 8.114 11.345 ( 6.728 -3.796 3.193) 8.358 11.709 ( 2.760 15.039 6.159) 16.484 12.113 ( -0.387 3.596 1.044) 3.764 12.657 ( 7.513 -2.454 -14.369) 16.399 13.615 ( -2.464 -0.774 2.851) 3.847 14.048 ( -1.534 -2.386 9.154) 9.584 19.883 ( -13.151 31.288 23.891) 41.504 23.126 ( -5.430 -14.311 8.642) 17.577 24.754 ( 1.724 -0.647 -1.719) 2.519 25.326 ( 4.666 -4.572 -20.563) 21.576 ======================= Grid point 316 (144/433) ======================= q-point: (-0.08 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -7.569 1.665 29.003) 30.021 1.807 ( 28.384 4.366 35.126) 45.371 3.401 ( -18.795 33.224 38.779) 54.414 4.828 ( 1.256 -2.715 -6.918) 7.537 4.914 ( -2.497 7.783 10.742) 13.498 5.638 ( 9.929 17.144 -7.686) 21.250 5.760 ( -1.840 -7.750 -1.319) 8.074 6.009 ( 6.964 -15.949 8.272) 19.269 6.756 ( 3.009 -4.678 1.696) 5.815 7.316 ( 9.143 -7.819 -2.345) 12.257 8.093 ( 1.216 -1.450 0.498) 1.957 8.621 ( -3.088 -4.031 -3.481) 6.157 9.280 ( -9.137 -5.040 -1.236) 10.508 9.845 ( -12.689 6.245 -4.773) 14.926 11.316 ( -4.628 11.347 4.614) 13.094 11.778 ( 21.733 -4.601 6.721) 23.210 12.100 ( 8.244 0.518 2.420) 8.608 12.687 ( 10.059 -0.894 -13.450) 16.820 13.630 ( -0.872 -1.407 1.141) 2.011 14.159 ( 6.525 -4.164 4.507) 8.957 19.427 ( -14.285 23.208 25.774) 37.510 23.276 ( 0.902 -3.133 -1.096) 3.440 24.766 ( 0.232 -0.179 1.022) 1.064 25.276 ( -12.137 -4.102 -15.209) 19.886 ======================= Grid point 319 (145/433) ======================= q-point: ( 0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -12.770 -0.000 43.922) 45.741 2.706 ( -15.803 -0.000 47.899) 50.439 3.529 ( 21.839 0.000 23.247) 31.896 4.583 ( -12.041 -0.000 -25.606) 28.296 5.085 ( 2.944 0.000 10.905) 11.296 5.183 ( 0.965 0.000 -3.168) 3.312 5.853 ( -7.878 -0.000 -2.216) 8.184 6.064 ( 5.807 0.000 1.720) 6.056 7.052 ( -2.243 -0.000 -9.851) 10.103 7.747 ( 9.197 0.000 -4.119) 10.077 8.074 ( -4.426 -0.000 6.226) 7.638 8.242 ( -13.205 -0.000 -9.965) 16.543 9.022 ( -14.712 -0.000 -4.351) 15.342 9.580 ( 14.092 0.000 13.087) 19.232 10.924 ( -10.786 -0.000 9.101) 14.112 11.835 ( -3.960 -0.000 -1.254) 4.154 12.738 ( 6.090 0.000 -8.900) 10.784 13.443 ( 25.974 0.000 -11.052) 28.228 13.710 ( 1.667 0.000 1.083) 1.988 14.876 ( 25.331 0.000 -32.117) 40.904 19.058 ( -15.610 -0.000 27.842) 31.919 23.171 ( 6.140 0.000 -12.024) 13.501 24.243 ( -32.511 -0.000 17.790) 37.060 24.902 ( 0.889 0.000 5.376) 5.449 ======================= Grid point 320 (146/433) ======================= q-point: ( 0.25 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -9.429 19.368 39.470) 44.966 3.216 ( -14.628 -31.646 43.197) 55.511 3.786 ( 14.573 4.458 13.577) 20.411 4.313 ( -18.235 -4.597 -25.573) 31.743 4.975 ( -0.073 8.966 3.766) 9.725 5.418 ( 1.220 -11.631 6.301) 13.284 5.828 ( 3.591 -4.488 -5.225) 7.768 6.104 ( 4.942 2.874 1.724) 5.971 6.890 ( -4.769 7.045 -10.547) 13.550 7.795 ( 6.886 3.463 -1.167) 7.796 7.985 ( -7.403 2.032 -4.414) 8.856 8.183 ( -7.313 -6.097 1.686) 9.669 8.849 ( -13.574 2.021 -3.945) 14.280 9.760 ( 15.960 3.638 10.923) 19.679 10.946 ( -11.518 -8.348 9.203) 16.943 11.805 ( -3.634 -1.534 -1.302) 4.154 12.704 ( 6.086 4.508 -9.149) 11.877 13.550 ( 19.514 5.747 -7.903) 21.824 13.735 ( 3.583 0.135 0.857) 3.687 14.784 ( 16.742 12.493 -27.224) 34.315 19.175 ( -15.600 -12.608 27.611) 34.128 23.228 ( 5.608 -6.359 -11.041) 13.921 24.047 ( -25.890 1.652 13.921) 29.442 24.947 ( 0.722 -0.906 4.820) 4.957 ======================= Grid point 321 (147/433) ======================= q-point: ( 0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -0.881 1.457 23.521) 23.583 3.638 ( -13.014 8.492 -14.842) 21.488 3.829 ( -10.719 -25.352 34.377) 44.039 4.300 ( -0.920 -10.395 -0.541) 10.449 4.871 ( -1.839 4.196 3.028) 5.492 5.514 ( 2.877 3.975 1.489) 5.128 6.050 ( 4.638 -15.963 -4.362) 17.186 6.069 ( 4.668 7.351 1.256) 8.798 6.683 ( -3.671 3.960 -7.493) 9.236 7.682 ( -2.339 11.034 3.168) 11.715 7.936 ( -1.034 -5.238 -14.361) 15.322 8.266 ( -4.471 -5.915 8.803) 11.510 8.677 ( -11.874 2.278 -2.388) 12.324 9.859 ( 15.940 7.770 8.432) 19.636 11.074 ( -11.393 -12.369 8.518) 18.851 11.813 ( -3.193 -3.968 -0.961) 5.183 12.606 ( 5.769 7.415 -8.539) 12.695 13.533 ( 14.470 9.726 -5.202) 18.194 13.761 ( 5.660 2.838 -0.539) 6.354 14.534 ( 7.655 14.450 -15.446) 22.494 19.494 ( -15.233 -23.758 26.672) 38.831 23.283 ( 0.577 2.242 -1.283) 2.647 23.912 ( -15.172 -5.407 0.309) 16.109 24.994 ( 1.220 -1.152 2.907) 3.357 ======================= Grid point 322 (148/433) ======================= q-point: ( 0.42 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 7.731 -16.371 4.160) 18.577 3.231 ( -20.425 6.999 -20.694) 29.907 4.184 ( 5.035 -2.076 9.596) 11.034 4.533 ( -5.695 -15.064 13.956) 21.310 4.841 ( -5.610 -2.190 5.775) 8.344 5.411 ( 3.095 8.967 -5.337) 10.884 5.965 ( 5.170 10.584 2.028) 11.952 6.209 ( -7.388 -3.772 0.784) 8.332 6.730 ( 5.607 -13.298 -7.805) 16.407 7.473 ( -3.669 11.798 3.443) 12.826 7.947 ( -0.657 -6.713 -15.599) 16.995 8.385 ( -3.262 -5.312 11.969) 13.495 8.533 ( -9.593 2.267 -0.472) 9.868 9.898 ( 14.350 8.296 6.968) 17.981 11.213 ( -10.281 -9.703 6.859) 15.713 11.878 ( -2.958 -7.759 -0.934) 8.356 12.476 ( 5.007 8.269 -7.412) 12.181 13.432 ( 13.691 14.436 -5.003) 20.515 13.723 ( 2.535 4.764 -1.913) 5.726 14.313 ( 1.225 10.011 -2.301) 10.345 19.977 ( -14.744 -32.001 25.129) 43.277 23.103 ( -6.957 17.424 10.738) 21.617 23.981 ( -3.109 -14.928 -12.609) 19.787 25.040 ( 2.501 -1.343 -0.000) 2.839 ======================= Grid point 323 (149/433) ======================= q-point: ( 0.50 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -1.003 -5.800 -10.658) 12.175 2.939 ( -3.514 -13.768 -17.153) 22.274 4.135 ( 9.513 14.261 -7.585) 18.746 4.727 ( 2.855 -1.259 5.120) 5.995 4.898 ( -12.124 -5.642 11.074) 17.363 5.276 ( -3.820 0.913 -1.707) 4.283 5.849 ( 4.838 11.234 7.157) 14.171 6.151 ( -10.148 -0.432 -0.049) 10.157 6.991 ( 6.474 -12.755 -9.999) 17.453 7.275 ( -1.093 10.718 5.157) 11.944 7.991 ( -2.146 -9.714 -14.348) 17.459 8.419 ( -6.820 2.249 0.823) 7.229 8.515 ( -2.080 -4.519 14.193) 15.039 9.931 ( 10.789 5.408 6.137) 13.539 11.269 ( -8.685 -3.329 5.122) 10.618 12.010 ( -2.227 -11.341 -2.234) 11.771 12.345 ( 3.905 7.224 -6.562) 10.512 13.233 ( 11.411 18.477 -6.101) 22.558 13.658 ( -1.195 2.371 -0.150) 2.659 14.183 ( -2.222 7.142 7.357) 10.492 20.562 ( -14.302 -36.490 23.180) 45.534 22.730 ( -8.644 25.441 14.265) 30.421 24.168 ( 2.089 -15.373 -14.165) 21.008 25.088 ( 4.390 -1.780 -3.729) 6.029 ======================= Grid point 324 (150/433) ======================= q-point: (-0.42 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -7.656 11.989 -10.033) 17.408 3.401 ( 12.097 -32.312 -18.220) 39.018 3.831 ( 12.571 24.782 -15.963) 32.047 4.734 ( 0.633 2.971 1.338) 3.320 4.844 ( -6.747 4.039 3.499) 8.607 5.332 ( -8.816 -8.964 8.728) 15.305 5.744 ( 2.723 11.404 11.889) 16.697 6.061 ( -8.352 -1.075 -5.398) 10.003 7.037 ( 1.813 9.666 3.473) 10.429 7.240 ( 5.664 -4.757 -8.392) 11.186 8.059 ( -4.279 -7.451 -7.123) 11.161 8.367 ( -2.865 -2.317 -0.818) 3.774 8.655 ( -1.680 -4.719 14.491) 15.332 9.973 ( 5.087 2.010 4.913) 7.352 11.241 ( -6.572 0.685 4.424) 7.951 12.169 ( -1.168 -8.459 -4.409) 9.610 12.244 ( 3.603 1.944 -7.279) 8.351 12.970 ( 7.612 18.428 -5.531) 20.692 13.624 ( -3.389 0.299 3.478) 4.866 14.094 ( -4.692 6.092 12.066) 14.308 21.184 ( -13.879 -37.107 21.009) 44.843 22.253 ( -8.843 30.899 16.157) 35.972 24.367 ( 4.569 -12.668 -12.131) 18.125 25.140 ( 6.443 -2.349 -8.221) 10.705 ======================= Grid point 325 (151/433) ======================= q-point: (-0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 3.724 14.808 -0.268) 15.271 3.340 ( 13.521 32.675 -20.157) 40.704 3.962 ( 10.171 -29.571 -18.525) 36.347 4.665 ( -3.342 6.044 6.824) 9.709 4.778 ( -3.137 -2.222 0.417) 3.867 5.414 ( -6.441 0.590 12.612) 14.174 5.669 ( 0.958 5.011 10.790) 11.935 5.997 ( -4.416 -3.490 -7.587) 9.447 6.863 ( 4.631 15.174 1.193) 15.910 7.314 ( 4.608 -2.970 -7.705) 9.456 8.077 ( -2.883 -0.775 3.043) 4.263 8.429 ( -1.721 -7.582 -3.937) 8.715 8.799 ( -2.487 -6.033 11.172) 12.938 9.995 ( -2.090 -0.244 2.699) 3.422 11.205 ( -2.767 0.794 4.970) 5.744 12.124 ( 0.237 3.376 -6.122) 6.995 12.354 ( 3.674 -9.473 -9.408) 13.847 12.700 ( 4.348 16.886 -3.208) 17.730 13.618 ( -4.486 -0.369 6.622) 8.007 14.024 ( -6.587 4.136 13.456) 15.542 21.656 ( -10.706 19.858 17.018) 28.259 21.829 ( -11.816 -19.650 20.041) 30.453 24.540 ( 5.681 -8.955 -9.240) 14.066 25.191 ( 7.886 -2.718 -13.347) 15.739 ======================= Grid point 326 (152/433) ======================= q-point: (-0.25 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 16.303 14.558 12.079) 24.973 2.753 ( 13.913 37.634 -19.054) 44.419 4.288 ( -4.457 -8.971 -7.126) 12.294 4.626 ( 1.262 -2.068 3.321) 4.111 4.895 ( 2.450 -12.308 2.572) 12.810 5.339 ( -2.572 9.986 16.204) 19.207 5.677 ( -2.082 0.994 3.910) 4.540 6.069 ( 1.446 -11.223 -3.463) 11.834 6.626 ( 7.463 18.284 -3.458) 20.049 7.334 ( 3.126 0.685 -5.237) 6.137 8.090 ( 0.086 0.889 7.323) 7.377 8.508 ( -1.603 -5.241 -3.446) 6.474 8.929 ( -4.848 -7.733 5.581) 10.698 9.969 ( -8.942 -1.712 -0.200) 9.106 11.240 ( 3.147 -1.555 6.219) 7.141 12.032 ( -0.370 3.608 -5.704) 6.759 12.426 ( 3.758 11.522 -3.632) 12.652 12.500 ( 3.615 -3.683 -8.251) 9.732 13.620 ( -3.948 0.393 7.526) 8.508 13.992 ( -6.954 0.454 12.788) 14.564 21.084 ( -10.396 36.959 19.914) 43.250 22.340 ( -11.874 -30.229 17.286) 36.792 24.669 ( 5.587 -5.120 -6.312) 9.862 25.221 ( 7.503 -2.521 -18.623) 20.235 ======================= Grid point 327 (153/433) ======================= q-point: (-0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 21.236 17.311 12.417) 30.080 2.178 ( 16.325 30.034 -1.574) 34.220 4.180 ( -11.763 10.072 11.181) 19.100 4.711 ( -0.143 -4.251 -0.653) 4.303 5.171 ( -2.472 -2.440 11.571) 12.081 5.319 ( 8.270 -6.422 6.466) 12.306 5.653 ( -2.455 -2.408 -0.697) 3.509 6.327 ( 2.852 -13.199 -4.923) 14.373 6.350 ( 11.023 18.512 0.079) 21.546 7.302 ( 2.977 2.695 -3.452) 5.295 8.121 ( 1.463 1.603 7.817) 8.113 8.536 ( -1.135 -2.378 -4.582) 5.285 9.028 ( -7.559 -8.211 1.447) 11.254 9.887 ( -13.651 -1.822 -3.216) 14.143 11.383 ( 9.038 -3.896 5.925) 11.488 11.933 ( 1.100 5.840 -0.578) 5.971 12.220 ( -0.294 10.428 0.905) 10.472 12.590 ( 7.682 -5.164 -12.554) 15.598 13.614 ( -2.722 0.812 5.811) 6.468 14.028 ( -4.213 -3.190 10.791) 12.015 20.474 ( -11.645 36.144 22.294) 44.034 22.791 ( -9.706 -24.020 14.401) 29.641 24.746 ( 4.399 -1.816 -3.872) 6.135 25.196 ( 3.521 -1.375 -22.315) 22.633 ======================= Grid point 328 (154/433) ======================= q-point: (-0.08 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 7.134 25.501 4.038) 26.786 2.331 ( 28.789 5.122 29.304) 41.398 3.899 ( -13.762 20.773 25.249) 35.474 4.761 ( 1.311 -2.755 -3.539) 4.672 5.103 ( -4.398 10.085 14.890) 18.514 5.540 ( -4.260 -10.872 -2.676) 11.979 5.828 ( 3.181 -13.510 1.523) 13.963 6.055 ( 14.640 19.949 -8.776) 26.255 6.614 ( 1.272 -12.380 2.914) 12.782 7.316 ( 7.376 -2.113 -0.414) 7.684 8.132 ( 0.286 2.880 6.218) 6.859 8.530 ( -0.841 -1.789 -6.422) 6.719 9.084 ( -9.172 -6.992 -0.079) 11.533 9.742 ( -15.419 0.609 -5.095) 16.250 11.468 ( 0.088 6.174 2.025) 6.499 11.931 ( 9.562 2.389 6.283) 11.688 12.148 ( 5.422 -3.271 2.152) 6.688 12.682 ( 12.811 -3.729 -13.801) 19.196 13.615 ( -1.230 -0.332 3.295) 3.533 14.141 ( 1.754 -5.910 6.748) 9.140 19.909 ( -13.040 31.594 24.463) 42.031 23.122 ( -5.610 -15.176 8.994) 18.511 24.766 ( 1.096 0.419 -3.278) 3.482 25.079 ( -4.922 0.906 -19.075) 19.721 ======================= Grid point 332 (155/433) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -11.510 -0.000 41.177) 42.755 2.896 ( -19.597 -0.000 45.709) 49.733 3.873 ( -27.284 -0.000 -30.723) 41.089 4.072 ( 17.450 0.000 10.527) 20.379 5.198 ( 2.980 0.000 -0.744) 3.071 5.245 ( 0.938 0.000 10.773) 10.813 5.815 ( 6.994 0.000 -6.289) 9.406 6.191 ( 4.695 0.000 2.852) 5.493 6.823 ( -7.155 -0.000 -14.010) 15.731 7.837 ( 1.693 0.000 -13.711) 13.815 7.951 ( -5.268 -0.000 3.283) 6.207 8.091 ( -3.340 -0.000 9.474) 10.046 8.726 ( -12.324 -0.000 -3.610) 12.842 10.005 ( 16.739 0.000 10.103) 19.552 10.814 ( -12.339 -0.000 9.800) 15.757 11.752 ( -3.339 -0.000 -1.296) 3.582 12.746 ( 6.399 0.000 -10.461) 12.263 13.737 ( 18.085 0.000 -7.178) 19.457 13.755 ( 1.539 0.000 1.571) 2.200 14.870 ( 13.917 0.000 -32.454) 35.312 19.074 ( -16.066 -0.000 28.027) 32.305 23.150 ( 6.032 0.000 -12.121) 13.539 23.934 ( -22.914 -0.000 17.202) 28.653 24.971 ( -0.060 -0.000 5.502) 5.502 ======================= Grid point 333 (156/433) ======================= q-point: ( 0.33 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -10.773 18.525 35.401) 41.382 3.363 ( -20.458 -25.059 24.743) 40.728 3.448 ( -23.074 -4.114 -9.188) 25.174 4.283 ( 13.004 -2.352 3.534) 13.680 5.027 ( 1.343 11.246 4.012) 12.016 5.523 ( 2.308 -11.062 5.311) 12.485 5.871 ( 8.718 -3.822 -9.460) 13.420 6.213 ( 3.561 3.319 2.102) 5.303 6.647 ( -6.268 3.180 -12.593) 14.421 7.709 ( -10.087 0.090 -12.328) 15.929 7.920 ( 6.159 6.118 2.244) 8.966 8.186 ( -2.450 -5.738 10.303) 12.045 8.595 ( -10.327 1.208 -1.627) 10.524 10.156 ( 14.901 4.913 6.741) 17.077 10.829 ( -12.597 -8.473 10.030) 18.195 11.733 ( -2.712 -1.769 -0.776) 3.329 12.709 ( 6.410 4.207 -10.751) 13.205 13.729 ( 5.630 4.826 -0.771) 7.455 13.856 ( 11.505 0.739 -4.526) 12.385 14.716 ( 9.158 9.971 -25.979) 29.295 19.188 ( -16.075 -12.626 27.681) 34.410 23.207 ( 5.693 -6.891 -11.589) 14.635 23.802 ( -18.274 3.198 14.476) 23.531 25.003 ( -0.395 -0.683 4.634) 4.700 ======================= Grid point 334 (157/433) ======================= q-point: ( 0.42 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -3.669 1.342 19.868) 20.249 3.029 ( -17.857 4.532 -20.421) 27.503 3.987 ( -16.844 -30.444 37.043) 50.821 4.403 ( 7.446 -0.047 -2.784) 7.950 4.914 ( 1.499 6.482 4.574) 8.073 5.588 ( 5.843 8.072 -3.676) 10.621 6.002 ( -3.394 -10.423 -7.118) 13.070 6.174 ( 4.103 6.351 1.573) 7.723 6.556 ( 0.664 -5.326 -7.994) 9.629 7.551 ( -9.328 1.646 -5.521) 10.964 7.872 ( 5.682 5.048 -4.911) 9.049 8.321 ( -2.515 -5.530 10.793) 12.386 8.492 ( -7.247 1.018 1.763) 7.528 10.189 ( 11.667 8.148 2.991) 14.542 10.959 ( -11.936 -12.649 9.734) 19.930 11.755 ( -2.280 -3.805 -0.224) 4.441 12.610 ( 5.913 7.083 -10.146) 13.714 13.683 ( 6.513 6.677 -1.260) 9.412 13.853 ( 7.598 6.767 -6.922) 12.306 14.482 ( 5.042 11.041 -12.728) 17.588 19.502 ( -15.778 -23.654 26.549) 38.901 23.277 ( 0.437 1.627 -1.598) 2.322 23.708 ( -8.888 -4.549 2.463) 10.284 25.036 ( 0.014 -1.160 2.399) 2.664 ======================= Grid point 335 (158/433) ======================= q-point: ( 0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 4.183 -14.501 1.742) 15.192 2.740 ( -6.566 4.756 -12.181) 14.632 4.365 ( 8.807 6.914 -4.680) 12.135 4.504 ( -18.516 -24.621 26.196) 40.439 4.864 ( 1.297 4.159 2.098) 4.835 5.396 ( 2.727 13.133 -6.987) 15.124 6.005 ( -10.495 -2.229 -4.368) 11.584 6.105 ( 4.381 7.542 3.964) 9.580 6.746 ( 5.983 -15.131 -8.767) 18.482 7.439 ( -4.774 3.647 4.649) 7.596 7.812 ( 3.618 0.755 -12.467) 13.003 8.381 ( -5.997 -0.447 3.521) 6.969 8.507 ( -1.289 -3.689 11.958) 12.580 10.145 ( 7.155 7.687 0.322) 10.506 11.110 ( -9.918 -10.052 8.650) 16.560 11.824 ( -1.991 -7.080 -0.367) 7.364 12.474 ( 4.712 8.207 -9.158) 13.169 13.570 ( 8.214 14.050 -7.140) 17.772 13.727 ( 2.006 6.437 -4.099) 7.890 14.322 ( 1.148 7.691 0.654) 7.803 19.974 ( -15.352 -31.706 24.772) 43.066 23.095 ( -6.863 17.275 11.092) 21.646 23.850 ( 2.319 -15.628 -9.955) 18.674 25.069 ( 1.141 -1.691 -0.917) 2.237 ======================= Grid point 336 (159/433) ======================= q-point: (-0.42 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 6.082 9.342 -1.550) 11.254 2.894 ( 8.712 -27.039 -13.036) 31.256 4.208 ( 9.644 14.966 -12.339) 21.662 4.790 ( 0.624 2.575 1.470) 3.030 4.804 ( -12.172 -6.864 12.351) 18.650 5.220 ( -3.423 2.179 3.921) 5.643 5.880 ( -11.411 0.875 -5.717) 12.793 6.050 ( 4.045 7.154 7.300) 10.993 6.992 ( 4.999 -12.523 -8.836) 16.121 7.368 ( 2.332 9.411 10.200) 14.072 7.812 ( -0.036 -8.467 -14.204) 16.536 8.344 ( -3.357 0.831 2.454) 4.240 8.641 ( -1.595 -4.566 13.715) 14.543 10.072 ( 1.223 5.021 -1.446) 5.366 11.196 ( -6.544 -3.792 7.710) 10.800 11.956 ( -1.177 -10.608 -1.856) 10.834 12.327 ( 3.087 7.360 -8.552) 11.698 13.297 ( 5.728 17.866 -10.440) 21.471 13.657 ( 0.153 3.255 1.951) 3.798 14.221 ( -2.834 6.654 7.673) 10.545 20.546 ( -14.821 -36.080 22.611) 45.085 22.736 ( -7.950 24.862 14.569) 29.893 24.109 ( 6.571 -15.907 -11.055) 20.455 25.104 ( 2.636 -2.260 -5.109) 6.177 ======================= Grid point 337 (160/433) ======================= q-point: (-0.33 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 15.720 12.878 6.608) 21.368 3.398 ( 9.617 -30.220 -19.116) 37.029 3.897 ( 14.268 24.348 -17.327) 33.115 4.716 ( -0.986 1.183 -2.884) 3.269 4.776 ( -6.867 4.553 7.226) 10.959 5.313 ( -6.900 -8.088 12.258) 16.226 5.751 ( -8.200 -1.647 -4.978) 9.733 6.003 ( 2.281 7.784 9.989) 12.867 7.135 ( 4.058 0.553 0.522) 4.129 7.270 ( 6.600 6.265 -3.393) 9.712 7.933 ( -2.611 -11.722 -4.036) 12.669 8.333 ( -0.207 -1.088 0.025) 1.107 8.768 ( -2.622 -3.818 12.810) 13.621 9.976 ( -5.936 2.598 -3.078) 7.173 11.227 ( -1.857 -0.425 7.786) 8.015 12.102 ( -0.815 -5.837 -4.714) 7.547 12.216 ( 2.910 -0.125 -8.597) 9.077 12.991 ( 3.755 16.802 -8.544) 19.220 13.631 ( -1.964 1.366 6.030) 6.487 14.121 ( -6.085 6.179 10.695) 13.769 21.154 ( -14.049 -36.686 20.328) 44.232 22.276 ( -8.403 30.405 16.800) 35.739 24.368 ( 8.546 -12.785 -9.551) 18.103 25.134 ( 3.892 -2.518 -10.022) 11.042 ======================= Grid point 338 (161/433) ======================= q-point: (-0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 21.389 12.905 13.708) 28.494 3.392 ( 15.402 32.143 -18.498) 40.157 3.902 ( 5.727 -24.339 -19.122) 31.477 4.678 ( -2.158 3.179 5.278) 6.528 4.751 ( -0.637 -5.933 0.391) 5.980 5.379 ( -7.728 -2.727 4.042) 9.138 5.788 ( -1.142 -3.354 8.311) 9.034 5.946 ( 0.331 3.235 7.680) 8.340 7.008 ( 8.745 17.492 2.509) 19.716 7.298 ( 3.514 -3.777 -9.016) 10.388 8.077 ( -2.570 -6.869 5.607) 9.232 8.382 ( 1.527 -4.762 -3.530) 6.121 8.854 ( -4.079 -2.421 9.750) 10.843 9.841 ( -12.637 0.514 -4.722) 13.500 11.290 ( 3.770 -1.302 8.482) 9.372 12.039 ( -1.484 2.887 -6.991) 7.708 12.329 ( 4.621 -9.447 -9.270) 14.019 12.707 ( 2.107 15.359 -5.501) 16.450 13.639 ( -3.019 0.153 9.355) 9.831 14.026 ( -7.898 3.983 11.169) 14.247 21.653 ( -10.238 6.673 17.449) 21.303 21.830 ( -12.004 -6.556 19.812) 24.075 24.583 ( 8.860 -8.406 -7.419) 14.290 25.142 ( 4.115 -1.939 -15.333) 15.994 ======================= Grid point 339 (162/433) ======================= q-point: (-0.17 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 21.858 12.301 15.095) 29.274 2.858 ( 18.115 34.724 -12.161) 41.010 4.124 ( -4.651 -8.982 -7.191) 12.411 4.679 ( 1.759 -0.905 1.400) 2.423 4.939 ( 0.397 -15.088 -1.601) 15.178 5.401 ( -0.349 -4.713 1.492) 4.956 5.720 ( -5.430 12.045 14.972) 19.968 6.114 ( 1.752 -12.700 4.376) 13.547 6.794 ( 12.338 19.373 0.422) 22.972 7.317 ( 2.248 -0.794 -6.867) 7.269 8.178 ( -0.615 -2.185 8.839) 9.125 8.456 ( 1.474 -3.913 -4.685) 6.279 8.887 ( -5.944 -2.505 5.431) 8.432 9.688 ( -16.525 -1.859 -5.873) 17.636 11.436 ( 8.104 -3.485 7.653) 11.679 11.958 ( -0.791 0.682 -4.210) 4.338 12.438 ( 2.737 11.745 -5.157) 13.116 12.482 ( 4.515 -5.567 -8.350) 11.004 13.654 ( -2.697 1.641 9.477) 9.989 13.990 ( -6.949 -1.603 10.316) 12.541 21.118 ( -10.293 37.061 20.733) 43.695 22.310 ( -11.792 -30.605 16.877) 36.885 24.728 ( 7.655 -3.825 -5.459) 10.151 25.096 ( 2.464 -0.155 -19.871) 20.024 ======================= Grid point 340 (163/433) ======================= q-point: (-0.08 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 14.546 33.636 -9.292) 37.806 2.811 ( 24.196 5.931 22.621) 33.650 4.098 ( -7.825 3.770 7.159) 11.256 4.721 ( 2.165 -1.861 -3.170) 4.266 5.152 ( -6.408 -10.753 1.811) 12.648 5.476 ( -2.096 10.516 10.883) 15.278 5.625 ( 0.285 -11.533 -1.475) 11.631 6.301 ( 0.746 -3.217 -2.696) 4.263 6.630 ( 12.172 12.163 5.502) 18.066 7.327 ( 3.911 -2.057 -3.978) 5.946 8.228 ( -0.459 2.024 9.018) 9.254 8.473 ( 1.239 -0.685 -6.838) 6.983 8.910 ( -6.891 -4.643 3.184) 8.898 9.545 ( -15.983 -2.785 -6.079) 17.325 11.549 ( 1.520 1.707 1.581) 2.779 12.032 ( 8.396 -6.386 4.181) 11.347 12.207 ( -1.458 10.578 -0.232) 10.680 12.628 ( 11.717 -7.760 -12.047) 18.510 13.640 ( -1.978 1.992 6.413) 7.001 14.070 ( -2.581 -6.515 8.160) 10.756 20.508 ( -11.836 36.426 22.988) 44.670 22.771 ( -9.678 -24.838 14.398) 30.297 24.773 ( 3.311 1.827 -8.445) 9.253 24.984 ( 0.122 1.324 -16.876) 16.929 ======================= Grid point 345 (164/433) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -13.507 -0.000 34.112) 36.688 2.981 ( -23.482 -0.000 41.417) 47.610 3.132 ( -18.467 -0.000 -17.094) 25.164 4.402 ( 12.514 0.000 0.316) 12.518 5.264 ( 2.332 0.000 2.925) 3.741 5.333 ( -1.129 -0.000 4.906) 5.034 5.920 ( 12.509 0.000 -8.208) 14.961 6.251 ( -0.610 -0.000 -3.438) 3.492 6.556 ( -3.528 -0.000 -10.752) 11.316 7.539 ( -8.888 -0.000 -15.391) 17.773 8.090 ( 6.822 0.000 6.596) 9.489 8.148 ( -2.808 -0.000 10.682) 11.045 8.513 ( -8.620 -0.000 0.000) 8.620 10.349 ( 11.342 0.000 3.561) 11.888 10.693 ( -12.848 -0.000 10.196) 16.402 11.695 ( -1.891 -0.000 -0.119) 1.895 12.743 ( 6.703 0.000 -11.935) 13.688 13.796 ( 0.895 0.000 1.713) 1.932 13.950 ( 13.680 0.000 -8.144) 15.921 14.737 ( 8.901 0.000 -26.502) 27.957 19.083 ( -16.480 -0.000 28.027) 32.514 23.128 ( 6.168 0.000 -12.203) 13.673 23.766 ( -15.831 -0.000 16.131) 22.602 25.015 ( -1.449 -0.000 4.977) 5.184 ======================= Grid point 346 (165/433) ======================= q-point: ( 0.42 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -14.129 17.405 30.262) 37.661 2.889 ( -5.838 2.696 -9.818) 11.736 3.457 ( -22.558 -32.805 38.459) 55.355 4.485 ( 9.049 1.198 -3.940) 9.942 5.094 ( 0.023 10.618 4.239) 11.433 5.580 ( -1.521 -14.125 1.884) 14.331 5.903 ( 6.118 7.699 -11.634) 15.233 6.226 ( 1.917 -2.803 -8.543) 9.194 6.494 ( 1.382 1.180 -3.128) 3.617 7.395 ( -7.274 -1.838 -14.334) 16.179 8.060 ( 3.369 8.447 6.428) 11.136 8.279 ( -0.120 -4.734 9.731) 10.822 8.451 ( -5.717 -0.246 3.151) 6.532 10.396 ( 7.295 5.045 -1.643) 9.020 10.711 ( -12.766 -8.911 11.085) 19.112 11.696 ( -1.222 -1.532 0.717) 2.087 12.703 ( 6.555 4.029 -12.088) 14.329 13.791 ( 1.566 2.354 1.159) 3.056 13.976 ( 9.074 3.934 -11.024) 14.810 14.623 ( 9.313 7.458 -18.320) 21.863 19.192 ( -16.485 -12.531 27.545) 34.460 23.185 ( 6.041 -7.045 -11.807) 15.018 23.685 ( -12.517 3.831 15.064) 19.957 25.030 ( -1.774 -0.604 3.826) 4.260 ======================= Grid point 347 (166/433) ======================= q-point: ( 0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -7.988 0.593 15.880) 17.786 2.808 ( 8.706 5.512 -0.453) 10.314 3.991 ( -23.382 -30.661 31.418) 49.738 4.487 ( 6.275 2.715 -5.237) 8.612 4.976 ( -0.465 6.154 3.484) 7.087 5.628 ( 4.174 13.635 -6.937) 15.857 5.776 ( -11.026 -7.985 -7.235) 15.417 6.254 ( 7.480 1.810 -6.248) 9.913 6.550 ( 3.850 -7.553 -1.788) 8.664 7.335 ( -3.238 -5.288 -9.873) 11.659 7.957 ( 3.291 10.429 3.631) 11.523 8.346 ( -4.004 -0.951 5.148) 6.590 8.495 ( -0.328 -3.532 10.204) 10.803 10.307 ( 2.229 7.489 -5.783) 9.721 10.862 ( -10.701 -13.347 11.127) 20.408 11.730 ( -0.899 -3.028 1.144) 3.359 12.598 ( 5.636 7.134 -11.486) 14.648 13.756 ( 2.766 5.049 -1.154) 5.872 13.853 ( 4.249 9.068 -12.406) 15.943 14.486 ( 7.441 9.230 -7.200) 13.871 19.498 ( -16.207 -23.368 26.228) 38.686 23.266 ( 0.499 1.056 -1.927) 2.253 23.639 ( -3.252 -4.322 5.098) 7.432 25.045 ( -1.293 -1.176 1.361) 2.215 ======================= Grid point 348 (167/433) ======================= q-point: (-0.42 -0.67 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -0.130 -16.016 -1.670) 16.103 2.837 ( 18.842 8.334 6.679) 21.659 4.282 ( -9.814 -7.157 0.876) 12.179 4.566 ( -5.428 -11.670 13.278) 18.492 4.895 ( 0.752 5.523 2.937) 6.300 5.358 ( -0.407 13.334 -4.354) 14.033 5.712 ( -12.346 -1.673 -8.671) 15.179 6.238 ( 6.389 5.045 0.610) 8.164 6.761 ( 4.380 -13.270 -5.330) 14.957 7.420 ( 1.445 -9.140 -1.507) 9.376 7.810 ( 3.519 11.410 -0.624) 11.957 8.344 ( -2.541 0.200 4.094) 4.823 8.621 ( -0.938 -4.255 11.647) 12.435 10.142 ( -3.051 6.742 -7.600) 10.607 11.055 ( -7.075 -11.271 10.253) 16.799 11.802 ( -0.486 -5.888 0.578) 5.936 12.444 ( 3.824 8.705 -10.748) 14.350 13.558 ( 3.854 15.147 -13.560) 20.692 13.739 ( 1.094 4.291 0.404) 4.447 14.363 ( 1.734 8.412 0.909) 8.637 19.959 ( -15.697 -31.282 24.276) 42.594 23.097 ( -6.292 16.438 11.110) 20.814 23.848 ( 7.421 -15.663 -6.643) 18.562 25.061 ( -0.225 -1.713 -2.143) 2.753 ======================= Grid point 349 (168/433) ======================= q-point: (-0.33 -0.67 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 10.097 -10.302 -4.269) 15.043 2.963 ( 17.155 -5.374 -0.214) 17.978 4.209 ( 4.578 7.705 -10.519) 13.819 4.687 ( -5.881 -2.366 -2.202) 6.711 4.847 ( -1.296 6.008 8.753) 10.696 5.229 ( -5.163 -1.387 11.493) 12.676 5.567 ( -11.009 -2.703 -10.474) 15.434 6.211 ( 3.821 6.172 6.729) 9.898 6.983 ( 3.545 -11.991 -6.750) 14.209 7.585 ( 6.030 9.651 14.599) 18.510 7.677 ( 1.341 -8.314 -12.906) 15.410 8.344 ( 0.222 0.622 2.742) 2.820 8.740 ( -2.923 -4.278 11.070) 12.223 9.947 ( -8.324 5.180 -7.945) 12.619 11.212 ( -2.051 -5.860 9.702) 11.519 11.930 ( 0.275 -9.203 -1.404) 9.314 12.267 ( 1.577 7.759 -10.325) 13.011 13.245 ( 3.150 16.263 -12.687) 20.865 13.687 ( -0.782 3.157 3.763) 4.974 14.237 ( -3.888 7.571 6.039) 10.436 20.518 ( -14.886 -35.693 22.025) 44.504 22.757 ( -7.557 24.196 15.069) 29.490 24.167 ( 11.339 -15.562 -8.261) 20.952 25.073 ( 0.948 -1.952 -6.443) 6.799 ======================= Grid point 350 (169/433) ======================= q-point: (-0.25 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 18.286 9.161 10.106) 22.813 3.337 ( 7.093 -26.265 -18.369) 32.826 3.974 ( 14.151 21.883 -15.541) 30.342 4.648 ( -1.370 -2.194 -5.472) 6.052 4.757 ( -3.858 4.325 7.144) 9.199 5.261 ( -9.490 -2.392 2.417) 10.081 5.621 ( -2.840 -12.837 5.183) 14.132 6.160 ( 0.677 8.409 11.566) 14.316 7.146 ( 2.392 -8.162 -6.885) 10.943 7.412 ( 7.126 15.584 0.077) 17.136 7.901 ( 0.226 -12.482 4.624) 13.312 8.364 ( 3.566 -0.220 0.361) 3.591 8.827 ( -4.889 -3.294 9.662) 11.319 9.727 ( -12.872 4.241 -7.717) 15.596 11.341 ( 3.332 -3.076 9.679) 10.689 12.028 ( -1.045 0.396 -5.936) 6.040 12.169 ( 2.424 -5.623 -8.393) 10.389 12.941 ( 2.365 14.969 -10.478) 18.424 13.670 ( -2.532 0.693 8.281) 8.687 14.102 ( -7.503 6.734 8.442) 13.149 21.119 ( -13.686 -36.549 19.805) 43.765 22.310 ( -8.527 30.139 17.539) 35.898 24.467 ( 12.483 -11.683 -7.740) 18.768 25.067 ( 1.643 -1.404 -11.253) 11.459 ======================= Grid point 351 (170/433) ======================= q-point: (-0.17 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 15.401 9.151 12.174) 21.660 3.493 ( 14.798 23.638 -14.856) 31.599 3.780 ( 4.963 -14.849 -18.164) 23.981 4.670 ( -0.320 -3.113 -6.240) 6.981 4.762 ( -0.289 -4.224 5.255) 6.748 5.255 ( -4.791 -6.872 -2.787) 8.829 5.848 ( -4.028 -6.546 10.805) 13.260 6.084 ( -0.406 5.871 14.391) 15.548 7.192 ( 5.738 9.912 0.697) 11.474 7.252 ( 4.586 1.265 -9.755) 10.853 8.111 ( -1.811 -8.441 8.962) 12.443 8.422 ( 6.011 -1.493 -1.958) 6.496 8.862 ( -5.896 -0.962 7.997) 9.982 9.497 ( -15.207 2.244 -7.213) 16.979 11.492 ( 6.344 -3.104 8.218) 10.836 11.936 ( -1.175 1.449 -5.220) 5.543 12.317 ( 5.110 -10.278 -9.139) 14.672 12.665 ( 1.192 13.842 -7.576) 15.825 13.705 ( -2.704 -0.363 11.901) 12.210 13.979 ( -8.859 3.359 8.241) 12.557 21.662 ( -9.978 -8.683 17.935) 22.285 21.825 ( -12.121 8.677 19.648) 24.663 24.694 ( 11.389 -6.565 -6.584) 14.703 25.018 ( 1.397 0.330 -15.918) 15.982 ======================= Grid point 352 (171/433) ======================= q-point: (-0.08 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 14.044 27.181 -8.365) 31.717 3.224 ( 17.029 11.558 8.969) 22.451 3.973 ( -2.095 -11.928 -8.779) 14.957 4.675 ( 0.339 -2.459 -8.700) 9.047 4.915 ( -0.685 -10.107 2.679) 10.478 5.396 ( 1.304 -12.833 -3.534) 13.374 5.748 ( -9.328 13.743 13.209) 21.222 6.198 ( -1.903 -6.645 10.651) 12.697 7.031 ( 11.346 16.042 -0.009) 19.649 7.262 ( 0.496 -3.964 -8.289) 9.201 8.249 ( -2.335 -3.872 9.830) 10.820 8.462 ( 3.559 0.987 -5.206) 6.383 8.854 ( -5.379 -0.242 6.795) 8.670 9.327 ( -12.046 -1.964 -5.084) 13.221 11.580 ( -0.435 0.624 0.856) 1.145 11.992 ( 6.567 -6.848 3.377) 10.071 12.404 ( -0.687 13.499 -4.201) 14.154 12.503 ( 9.455 -10.841 -10.393) 17.746 13.713 ( -3.098 3.826 9.977) 11.125 13.970 ( -5.904 -5.637 8.194) 11.566 21.157 ( -10.810 37.336 21.484) 44.412 22.281 ( -11.344 -31.096 16.449) 36.962 24.793 ( 5.333 1.922 -10.916) 12.301 24.928 ( 3.313 -0.104 -13.454) 13.857 ======================= Grid point 358 (172/433) ======================= q-point: ( 0.42 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -2.575 -0.000 18.893) 19.068 2.943 ( -27.156 -0.000 36.505) 45.498 2.976 ( -4.926 -0.000 17.627) 18.302 4.538 ( 5.681 0.000 -6.518) 8.646 5.299 ( -4.761 -0.000 -1.605) 5.024 5.312 ( -2.256 -0.000 4.212) 4.778 6.062 ( -4.659 -0.000 -14.476) 15.207 6.070 ( 12.675 0.000 -7.560) 14.758 6.535 ( 4.939 0.000 -0.938) 5.027 7.240 ( -4.429 -0.000 -14.965) 15.607 8.208 ( -3.819 -0.000 10.581) 11.249 8.282 ( 3.697 0.000 6.160) 7.184 8.432 ( -1.224 -0.000 6.013) 6.137 10.459 ( 1.651 0.000 -7.610) 7.787 10.579 ( -12.119 -0.000 12.815) 17.638 11.685 ( -0.233 -0.000 1.795) 1.810 12.730 ( 6.821 0.000 -13.049) 14.724 13.822 ( -0.023 -0.000 1.520) 1.520 14.013 ( 6.364 0.000 -14.644) 15.967 14.696 ( 13.674 0.000 -17.016) 21.830 19.085 ( -16.818 -0.000 27.842) 32.527 23.110 ( 6.585 0.000 -12.199) 13.863 23.701 ( -11.047 -0.000 16.756) 20.070 25.025 ( -2.788 -0.000 3.908) 4.800 ======================= Grid point 359 (173/433) ======================= q-point: (-0.50 -0.58 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -19.158 17.279 27.813) 37.936 3.058 ( 22.142 3.415 10.001) 24.534 3.409 ( -25.917 -31.746 34.303) 53.444 4.513 ( 0.521 0.946 -8.875) 8.941 5.093 ( -3.752 7.918 2.015) 8.991 5.476 ( -8.083 -11.504 -4.077) 14.639 5.832 ( 0.787 11.060 -9.847) 14.829 6.214 ( 8.260 -6.113 -10.746) 14.869 6.566 ( 5.709 1.562 1.364) 6.074 7.175 ( 0.617 -3.954 -12.808) 13.419 8.158 ( -2.168 6.954 8.676) 11.329 8.327 ( -2.933 -1.007 5.064) 5.938 8.518 ( 4.383 -1.591 10.069) 11.097 10.354 ( -4.254 3.972 -11.228) 12.646 10.632 ( -9.479 -9.016 12.528) 18.114 11.706 ( 0.274 -0.949 2.599) 2.780 12.684 ( 6.404 4.154 -13.051) 15.119 13.816 ( -0.083 1.446 0.802) 1.656 13.931 ( 3.333 4.747 -15.659) 16.699 14.679 ( 14.174 7.528 -13.347) 20.874 19.188 ( -16.798 -12.334 27.254) 34.308 23.172 ( 6.600 -7.015 -11.619) 15.092 23.671 ( -8.240 3.298 17.108) 19.274 25.021 ( -2.930 -0.584 2.602) 3.962 ======================= Grid point 360 (174/433) ======================= q-point: (-0.42 -0.58 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -13.096 -0.121 12.684) 18.232 3.250 ( 25.871 8.307 12.932) 30.092 3.865 ( -22.739 -27.029 25.414) 43.514 4.453 ( -4.061 -2.703 -7.593) 9.025 4.992 ( -1.731 3.276 5.240) 6.417 5.442 ( -9.238 0.456 -13.175) 16.097 5.628 ( -1.693 8.858 -2.305) 9.308 6.304 ( 8.617 -2.483 -12.056) 15.026 6.637 ( 4.149 -3.817 4.015) 6.921 7.256 ( 5.948 -8.769 -8.973) 13.884 8.043 ( -1.689 9.687 8.100) 12.740 8.348 ( -1.382 -0.658 5.084) 5.310 8.633 ( 2.649 -1.278 10.034) 10.456 10.147 ( -7.720 5.652 -12.406) 15.667 10.825 ( -6.830 -13.990 11.500) 19.356 11.749 ( 0.623 -1.986 2.704) 3.412 12.564 ( 4.980 7.814 -12.558) 15.606 13.721 ( 1.804 9.424 -12.867) 16.051 13.809 ( 0.408 3.305 -1.858) 3.813 14.557 ( 8.417 11.322 -8.635) 16.541 19.484 ( -16.454 -22.989 25.813) 38.282 23.255 ( 0.729 0.798 -2.007) 2.279 23.700 ( 1.789 -5.310 8.661) 10.316 25.020 ( -2.281 -1.110 0.110) 2.539 ======================= Grid point 361 (175/433) ======================= q-point: (-0.33 -0.58 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -4.725 -17.360 -4.934) 18.656 3.361 ( 20.218 11.309 10.558) 25.458 4.113 ( -12.271 -11.206 5.295) 17.441 4.503 ( -5.806 -9.921 -0.012) 11.495 5.008 ( 2.509 2.359 10.454) 11.007 5.258 ( -6.228 2.068 -5.835) 8.782 5.424 ( -7.720 7.639 -5.729) 12.279 6.329 ( 6.656 1.316 -6.400) 9.328 6.805 ( 3.281 -9.118 1.572) 9.817 7.449 ( 6.715 -11.074 -8.452) 15.465 7.903 ( -0.580 10.671 10.697) 15.121 8.381 ( 2.045 0.209 4.450) 4.902 8.714 ( -0.938 -1.525 8.217) 8.409 9.906 ( -9.807 5.487 -10.969) 15.704 11.079 ( -2.856 -13.349 10.478) 17.209 11.821 ( 1.193 -4.347 1.674) 4.809 12.377 ( 2.462 9.967 -12.019) 15.807 13.456 ( 2.422 14.183 -15.048) 20.820 13.750 ( -1.102 3.342 1.492) 3.823 14.379 ( 0.077 10.152 -1.935) 10.335 19.934 ( -15.724 -30.897 23.788) 42.044 23.106 ( -5.708 15.161 10.627) 19.375 23.977 ( 12.289 -15.087 -2.707) 19.646 25.017 ( -1.197 -1.360 -3.304) 3.768 ======================= Grid point 362 (176/433) ======================= q-point: (-0.25 -0.58 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 1.266 -26.640 -16.472) 31.346 3.358 ( 9.536 9.624 6.271) 14.929 4.167 ( -0.192 -2.279 -3.447) 4.137 4.579 ( 0.941 -2.417 -5.771) 6.328 4.902 ( 0.069 12.153 2.192) 12.350 5.194 ( -7.991 4.969 -3.241) 9.952 5.394 ( -3.640 -15.351 12.315) 20.014 6.317 ( 2.926 3.591 0.697) 4.684 6.989 ( 2.585 -8.543 -1.686) 9.083 7.547 ( 0.220 -0.942 -13.593) 13.627 7.877 ( 3.636 0.599 16.955) 17.351 8.428 ( 6.728 1.385 3.351) 7.643 8.760 ( -5.357 -2.801 5.966) 8.493 9.669 ( -10.096 5.758 -7.500) 13.833 11.322 ( 1.917 -9.067 9.806) 13.492 11.938 ( 1.942 -6.975 -0.793) 7.283 12.159 ( -0.467 8.243 -11.275) 13.974 13.145 ( 2.162 14.710 -14.587) 20.829 13.704 ( -2.676 1.721 5.341) 6.217 14.203 ( -5.889 8.207 3.956) 10.848 20.487 ( -14.562 -35.489 21.562) 44.005 22.785 ( -7.667 23.523 15.387) 29.136 24.338 ( 15.879 -13.964 -6.162) 22.025 25.003 ( -0.163 -0.956 -7.356) 7.419 ======================= Grid point 363 (177/433) ======================= q-point: (-0.17 -0.58 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 3.341 -20.176 -13.659) 24.592 3.327 ( 0.432 -2.271 -2.733) 3.580 4.087 ( 13.742 17.194 -10.036) 24.191 4.562 ( 2.880 -1.072 -10.831) 11.259 4.784 ( -2.403 2.065 7.988) 8.593 5.091 ( -5.834 -3.472 -4.255) 8.013 5.702 ( -3.000 -12.954 15.131) 20.143 6.264 ( -0.582 6.190 6.967) 9.338 7.102 ( 0.045 -5.232 -5.293) 7.443 7.426 ( 0.697 5.301 -9.677) 11.055 8.043 ( 1.093 -5.686 12.704) 13.961 8.492 ( 9.792 2.012 2.177) 10.231 8.780 ( -8.786 -3.850 4.519) 10.604 9.447 ( -7.776 6.985 -2.987) 10.871 11.520 ( 3.850 -4.658 7.352) 9.517 11.948 ( 0.111 4.031 -4.745) 6.227 12.132 ( 2.743 -10.162 -6.947) 12.612 12.852 ( 1.681 13.129 -12.430) 18.158 13.716 ( -3.595 -1.655 10.236) 10.974 14.034 ( -8.728 7.229 6.596) 13.113 21.090 ( -13.056 -36.698 19.463) 43.542 22.344 ( -9.152 30.051 18.045) 36.228 24.645 ( 15.507 -9.101 -7.133) 19.343 24.958 ( 0.492 0.486 -11.616) 11.637 ======================= Grid point 364 (178/433) ======================= q-point: (-0.08 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -2.012 3.180 -0.037) 3.764 3.507 ( 4.833 -14.669 -16.536) 22.627 3.789 ( 13.790 18.856 -12.824) 26.648 4.568 ( 1.979 -3.042 -10.305) 10.925 4.845 ( 0.469 -3.623 7.918) 8.720 5.169 ( -1.514 -11.524 -2.468) 11.882 5.849 ( -8.750 0.544 10.222) 13.467 6.215 ( -1.923 2.320 12.400) 12.761 7.121 ( -3.185 -4.486 -8.364) 10.011 7.304 ( 5.371 7.453 -7.205) 11.675 8.204 ( -1.193 -5.815 10.410) 11.984 8.527 ( 5.796 4.246 -1.003) 7.254 8.773 ( -10.969 -3.231 2.676) 11.744 9.296 ( 0.109 5.043 3.581) 6.186 11.570 ( -3.570 0.629 -1.218) 3.824 11.981 ( 6.946 -4.157 4.420) 9.223 12.325 ( 6.713 -12.575 -8.113) 16.402 12.589 ( 0.856 12.414 -9.367) 15.575 13.795 ( -3.030 -1.042 13.927) 14.291 13.887 ( -9.239 1.898 5.436) 10.886 21.676 ( -10.173 -25.399 18.016) 32.760 21.818 ( -12.061 25.257 19.690) 34.221 24.810 ( 5.764 1.191 -11.362) 12.796 24.895 ( 7.417 -1.725 -10.729) 13.157 ======================= Grid point 371 (179/433) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -30.082 -0.000 32.878) 44.563 2.879 ( -22.505 -0.000 33.390) 40.266 3.407 ( 30.295 0.000 15.204) 33.896 4.428 ( -7.736 -0.000 -12.282) 14.515 5.131 ( -8.685 -0.000 -5.808) 10.449 5.283 ( -2.931 -0.000 1.619) 3.348 5.864 ( -1.683 -0.000 -10.971) 11.100 6.180 ( 6.527 0.000 -6.055) 8.903 6.651 ( 8.711 0.000 -1.149) 8.786 7.097 ( 5.451 0.000 -11.457) 12.687 8.222 ( -6.840 -0.000 8.770) 11.122 8.319 ( -2.082 -0.000 5.165) 5.569 8.631 ( 8.351 0.000 11.035) 13.839 10.246 ( -10.385 -0.000 -12.955) 16.603 10.547 ( -6.739 -0.000 11.003) 12.903 11.723 ( 0.940 0.000 3.704) 3.822 12.707 ( 6.671 0.000 -13.631) 15.176 13.827 ( -0.919 -0.000 1.119) 1.448 13.906 ( 2.060 0.000 -16.428) 16.557 14.813 ( 17.394 0.000 -17.517) 24.686 19.078 ( -17.047 -0.000 27.537) 32.387 23.103 ( 7.210 0.000 -12.049) 14.042 23.729 ( -7.716 -0.000 19.983) 21.421 25.000 ( -3.716 -0.000 2.564) 4.515 ======================= Grid point 372 (180/433) ======================= q-point: (-0.42 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -24.777 16.532 25.695) 39.338 3.268 ( -27.808 -28.852 31.015) 50.672 3.738 ( 30.006 5.160 14.562) 33.750 4.274 ( -11.923 -3.187 -12.949) 17.888 5.004 ( -7.275 0.484 -1.899) 7.534 5.290 ( -3.330 -1.368 -5.585) 6.645 5.742 ( -1.879 6.270 -4.972) 8.220 6.231 ( 4.275 -4.354 -8.411) 10.391 6.710 ( 8.861 1.804 0.462) 9.055 7.159 ( 9.979 -5.167 -8.781) 14.261 8.155 ( -8.414 4.091 7.328) 11.884 8.353 ( -0.087 -1.348 6.233) 6.378 8.750 ( 7.652 2.161 10.771) 13.388 10.047 ( -12.306 1.970 -14.362) 19.016 10.629 ( -5.119 -8.886 11.093) 15.107 11.758 ( 1.186 -0.461 4.210) 4.398 12.652 ( 6.017 4.735 -13.496) 15.517 13.781 ( 0.597 4.595 -11.229) 12.147 13.830 ( -0.257 0.866 -3.700) 3.809 14.776 ( 14.216 9.720 -19.020) 25.658 19.176 ( -16.956 -12.076 26.895) 34.010 23.172 ( 7.061 -6.812 -11.128) 14.836 23.762 ( -4.510 1.669 21.254) 21.791 24.982 ( -3.605 -0.587 1.298) 3.876 ======================= Grid point 373 (181/433) ======================= q-point: (-0.33 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -17.845 -1.032 10.647) 20.806 3.589 ( -15.224 -12.546 17.845) 26.601 3.820 ( -9.600 -1.832 2.543) 10.099 4.337 ( 10.867 -8.049 1.619) 13.620 4.987 ( -7.263 -6.650 1.093) 9.908 5.197 ( -0.940 4.623 -6.844) 8.313 5.562 ( -3.295 10.597 -0.378) 11.104 6.302 ( 5.483 -4.399 -11.541) 13.513 6.784 ( 6.790 -1.224 4.277) 8.117 7.326 ( 10.526 -7.440 -8.172) 15.262 8.028 ( -10.530 4.631 6.806) 13.366 8.431 ( 3.915 -1.540 7.289) 8.416 8.804 ( 4.983 4.656 8.478) 10.880 9.820 ( -11.323 2.815 -12.002) 16.738 10.861 ( -2.604 -14.827 10.599) 18.411 11.806 ( 1.489 -1.239 3.913) 4.366 12.506 ( 4.052 9.344 -13.142) 16.627 13.594 ( 1.542 9.682 -15.609) 18.432 13.790 ( -1.595 2.194 0.136) 2.716 14.562 ( 5.065 13.461 -14.207) 20.216 19.463 ( -16.468 -22.634 25.415) 37.808 23.250 ( 1.004 0.923 -1.811) 2.268 23.895 ( 6.703 -7.038 12.861) 16.120 24.968 ( -2.752 -0.960 -0.992) 3.079 ======================= Grid point 374 (182/433) ======================= q-point: (-0.25 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -8.056 -18.939 -6.875) 21.699 3.489 ( -13.868 4.896 -5.215) 15.604 3.946 ( -13.646 -16.602 10.986) 24.136 4.563 ( 11.735 -2.112 1.147) 11.979 5.008 ( -5.996 -1.030 -11.210) 12.754 5.181 ( 1.486 -3.432 8.443) 9.234 5.342 ( -2.334 9.589 6.818) 11.995 6.338 ( 4.680 -1.512 -10.337) 11.447 6.920 ( 4.681 -4.618 5.506) 8.576 7.441 ( 4.039 -2.659 -12.965) 13.838 7.926 ( -9.946 -1.076 7.361) 12.421 8.555 ( 8.392 -1.029 9.047) 12.383 8.779 ( 1.729 5.942 5.487) 8.270 9.632 ( -7.699 3.132 -6.127) 10.325 11.172 ( 0.810 -15.523 9.463) 18.198 11.874 ( 1.868 -3.059 2.377) 4.301 12.271 ( 0.616 11.989 -12.485) 17.320 13.314 ( 1.562 13.478 -18.060) 22.589 13.735 ( -2.773 2.266 2.577) 4.412 14.313 ( -3.721 9.903 -3.955) 11.294 19.907 ( -15.455 -30.676 23.415) 41.571 23.118 ( -5.311 13.962 9.863) 17.900 24.234 ( 16.908 -13.431 0.648) 21.603 24.950 ( -1.525 -0.736 -4.090) 4.427 ======================= Grid point 375 (183/433) ======================= q-point: (-0.17 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -0.235 -28.826 -18.055) 34.015 3.250 ( -19.352 0.157 -7.957) 20.924 4.165 ( -1.710 -10.710 6.768) 12.784 4.631 ( 9.929 3.698 -5.878) 12.116 4.888 ( -0.963 6.026 -3.496) 7.033 5.035 ( -3.467 8.327 -2.393) 9.332 5.547 ( -0.792 -13.157 18.158) 22.438 6.330 ( 1.401 0.727 -5.159) 5.396 7.040 ( 1.545 -1.602 2.646) 3.457 7.357 ( -4.106 -0.336 -15.545) 16.082 7.974 ( -5.535 -7.549 4.397) 10.342 8.688 ( -0.167 -1.570 5.474) 5.697 8.721 ( 9.008 7.877 8.660) 14.771 9.505 ( -2.468 4.635 0.557) 5.280 11.467 ( 2.757 -10.118 6.862) 12.533 11.970 ( 0.943 -6.304 -2.982) 7.037 12.023 ( -0.116 7.906 -6.842) 10.456 13.004 ( 1.486 12.558 -17.026) 21.208 13.709 ( -4.012 -0.243 6.672) 7.789 14.115 ( -7.889 7.508 3.765) 11.523 20.460 ( -13.991 -35.489 21.264) 43.674 22.810 ( -8.124 22.956 15.339) 28.780 24.599 ( 19.149 -10.542 -5.546) 22.552 24.915 ( -0.146 0.350 -7.706) 7.715 ======================= Grid point 376 (184/433) ======================= q-point: (-0.08 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -0.675 -24.119 -17.626) 29.881 3.079 ( -16.102 -10.925 -13.176) 23.500 4.249 ( 12.432 13.699 -5.018) 19.167 4.542 ( 6.276 4.803 -9.727) 12.533 4.843 ( -2.668 -1.793 11.184) 11.636 4.974 ( -2.408 -6.146 -3.397) 7.423 5.790 ( -5.273 -6.133 13.481) 15.721 6.288 ( -1.775 2.184 1.567) 3.221 6.993 ( -5.998 0.379 -7.730) 9.792 7.311 ( 1.156 -2.892 -9.696) 10.184 8.093 ( -4.055 -9.114 2.174) 10.210 8.645 ( -5.786 1.608 5.238) 7.969 8.754 ( 7.123 8.009 5.531) 12.062 9.453 ( 5.279 4.865 8.033) 10.773 11.534 ( -5.123 1.481 -2.728) 5.990 12.014 ( 6.586 -3.161 4.784) 8.732 12.118 ( 3.736 -12.166 -6.123) 14.123 12.737 ( 1.623 11.016 -13.771) 17.709 13.750 ( -5.232 -4.124 9.396) 11.518 13.948 ( -8.500 7.102 8.033) 13.683 21.069 ( -12.352 -36.926 19.239) 43.431 22.367 ( -10.036 30.016 18.181) 36.499 24.812 ( 4.048 0.621 -9.738) 10.564 24.892 ( 13.491 -3.273 -9.515) 16.830 ======================= Grid point 384 (185/433) ======================= q-point: (-0.42 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -31.973 -0.000 32.158) 45.347 2.765 ( -28.179 -0.000 31.455) 42.232 3.979 ( -23.024 -0.000 -17.478) 28.907 4.176 ( 33.076 0.000 11.827) 35.127 4.886 ( -10.206 -0.000 -5.360) 11.528 5.270 ( 2.187 0.000 -3.394) 4.037 5.747 ( -2.108 -0.000 -4.183) 4.684 6.175 ( -0.291 -0.000 -3.567) 3.579 6.821 ( 11.621 0.000 -1.989) 11.790 7.173 ( 12.378 0.000 -7.277) 14.359 8.123 ( -12.124 -0.000 3.503) 12.620 8.385 ( 2.112 0.000 8.023) 8.296 8.916 ( 8.834 0.000 11.669) 14.635 9.854 ( -14.903 -0.000 -13.831) 20.332 10.572 ( -3.069 -0.000 10.209) 10.661 11.792 ( 1.187 0.000 4.987) 5.127 12.677 ( 6.397 0.000 -13.593) 15.023 13.759 ( 1.288 0.000 -15.753) 15.806 13.814 ( -1.603 -0.000 0.707) 1.752 14.881 ( 15.818 0.000 -27.705) 31.902 19.065 ( -17.104 -0.000 27.190) 32.123 23.110 ( 7.836 0.000 -11.777) 14.145 23.864 ( -4.891 -0.000 26.152) 26.606 24.949 ( -4.128 -0.000 1.313) 4.331 ======================= Grid point 385 (186/433) ======================= q-point: (-0.33 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -28.809 16.569 25.657) 41.986 3.082 ( -29.317 -29.300 30.854) 51.672 3.629 ( -27.608 0.976 -17.987) 32.965 4.504 ( 26.599 -0.937 3.160) 26.803 4.805 ( -8.309 -2.800 -1.542) 8.903 5.248 ( 3.527 2.545 -5.606) 7.095 5.669 ( -2.962 5.279 0.872) 6.116 6.198 ( 0.342 -4.759 -3.910) 6.169 6.895 ( 11.557 2.289 -0.842) 11.812 7.292 ( 12.188 -4.307 -6.652) 14.538 7.980 ( -15.840 2.581 -0.190) 16.050 8.485 ( 5.410 -1.963 9.320) 10.954 9.011 ( 7.547 5.222 10.771) 14.150 9.659 ( -13.223 -1.016 -10.818) 17.115 10.688 ( -1.225 -9.215 10.167) 13.776 11.832 ( 1.095 -0.299 5.043) 5.169 12.610 ( 5.559 5.918 -13.354) 15.629 13.642 ( 1.239 4.851 -16.406) 17.153 13.798 ( -1.882 0.653 0.098) 1.995 14.738 ( 9.571 11.589 -29.078) 32.733 19.158 ( -16.921 -11.809 26.552) 33.627 23.185 ( 7.231 -6.304 -10.484) 14.210 23.981 ( -0.260 -0.722 27.265) 27.275 24.922 ( -3.769 -0.633 0.286) 3.832 ======================= Grid point 386 (187/433) ======================= q-point: (-0.25 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -21.371 -1.817 10.678) 23.959 3.232 ( -30.688 -1.934 -15.682) 34.517 3.505 ( -23.780 -25.936 24.035) 42.613 4.725 ( 17.632 -0.648 -3.805) 18.050 4.792 ( -6.864 -4.231 -1.158) 8.146 5.225 ( 4.552 0.704 -1.481) 4.839 5.538 ( -1.717 9.346 6.402) 11.458 6.265 ( 2.325 -4.323 -7.625) 9.068 6.968 ( 9.254 0.208 1.952) 9.460 7.407 ( 7.451 -0.602 -10.120) 12.581 7.784 ( -17.689 -1.107 -1.745) 17.809 8.632 ( 6.276 -1.985 8.557) 10.795 9.010 ( 7.262 8.124 10.482) 15.119 9.549 ( -7.052 -1.851 -4.463) 8.548 10.957 ( 0.826 -15.588 9.581) 18.316 11.877 ( 1.057 -0.826 4.176) 4.387 12.423 ( 2.529 12.014 -13.287) 18.091 13.423 ( 0.962 10.344 -21.098) 23.517 13.756 ( -2.603 1.897 0.881) 3.339 14.423 ( -1.286 12.083 -16.851) 20.775 19.440 ( -16.249 -22.400 25.126) 37.377 23.252 ( 1.186 1.329 -1.522) 2.343 24.227 ( 12.154 -7.955 16.319) 21.847 24.903 ( -2.613 -0.818 -1.598) 3.170 ======================= Grid point 387 (188/433) ======================= q-point: (-0.17 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -9.248 -21.414 -7.312) 24.445 2.893 ( -32.514 -4.493 -17.734) 37.307 3.875 ( -14.223 -22.655 20.981) 33.996 4.764 ( 6.833 4.672 0.041) 8.278 4.822 ( -1.601 -4.530 -7.696) 9.073 5.225 ( 1.170 8.185 -2.621) 8.674 5.494 ( 3.052 -2.396 14.535) 15.044 6.289 ( 1.960 -1.804 -9.480) 9.848 7.076 ( 5.849 -1.777 4.236) 7.438 7.247 ( -8.841 6.232 -17.152) 20.278 7.774 ( -5.767 -9.012 -0.904) 10.737 8.700 ( -0.330 1.433 3.662) 3.946 9.036 ( 11.705 7.583 14.259) 19.946 9.535 ( 0.164 -1.068 1.800) 2.100 11.302 ( 2.826 -16.232 7.625) 18.156 11.908 ( -1.016 0.073 -0.827) 1.312 12.140 ( -0.714 11.241 -9.162) 14.519 13.113 ( 0.685 11.390 -22.227) 24.984 13.710 ( -3.627 1.165 3.560) 5.215 14.176 ( -7.050 6.826 -1.735) 9.965 19.884 ( -14.956 -30.649 23.210) 41.252 23.127 ( -5.136 13.292 9.190) 16.956 24.591 ( 20.065 -9.568 1.282) 22.266 24.882 ( -0.345 -0.170 -4.322) 4.339 ======================= Grid point 388 (189/433) ======================= q-point: (-0.08 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.905 -31.400 -18.125) 36.267 2.617 ( -31.228 -9.081 -17.562) 36.961 4.227 ( -5.111 -16.699 14.922) 22.970 4.745 ( 8.519 6.094 -4.883) 11.556 4.834 ( -0.634 -2.136 -0.673) 2.328 4.986 ( -2.067 13.612 -0.804) 13.792 5.712 ( -0.595 -7.975 12.926) 15.200 6.270 ( -0.511 -0.711 -6.501) 6.559 6.923 ( -10.449 5.868 -15.464) 19.564 7.208 ( 3.197 -4.987 -2.271) 6.344 7.896 ( -2.560 -9.409 -0.216) 9.754 8.661 ( -2.898 2.589 3.248) 5.065 9.038 ( 6.051 10.816 9.504) 15.618 9.611 ( 8.015 0.567 9.290) 12.283 11.502 ( -3.846 0.556 -1.911) 4.330 11.887 ( 0.436 -10.817 -3.670) 11.431 12.072 ( 3.315 -0.349 2.111) 3.946 12.839 ( 1.865 9.301 -18.001) 20.347 13.698 ( -5.049 -1.272 6.077) 8.002 14.020 ( -8.225 5.380 6.854) 11.982 20.442 ( -13.294 -35.608 21.140) 43.492 22.822 ( -8.693 22.679 15.051) 28.573 24.801 ( 2.254 0.042 -6.440) 6.823 24.929 ( 18.755 -3.757 -8.519) 20.939 ======================= Grid point 397 (190/433) ======================= q-point: (-0.33 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -32.725 -0.000 34.579) 47.609 2.556 ( -31.851 -0.000 31.257) 44.626 3.233 ( -34.667 -0.000 -21.567) 40.828 4.576 ( 0.123 0.000 -9.609) 9.610 4.863 ( 15.492 0.000 5.944) 16.594 5.266 ( 5.110 0.000 -10.114) 11.332 5.700 ( -2.487 -0.000 3.189) 4.044 6.144 ( -1.335 -0.000 2.907) 3.199 7.030 ( 13.541 0.000 -1.562) 13.631 7.326 ( 11.575 0.000 -6.624) 13.337 7.826 ( -19.008 -0.000 -6.689) 20.151 8.582 ( 7.818 0.000 10.739) 13.283 9.195 ( 7.529 0.000 11.745) 13.950 9.458 ( -14.296 -0.000 -7.831) 16.300 10.657 ( 0.271 0.000 9.679) 9.682 11.866 ( 0.565 0.000 5.334) 5.364 12.647 ( 6.275 0.000 -12.879) 14.326 13.600 ( 1.254 0.000 -18.887) 18.928 13.786 ( -2.047 -0.000 0.401) 2.086 14.747 ( 9.465 0.000 -40.211) 41.310 19.049 ( -16.989 -0.000 26.850) 31.774 23.130 ( 8.221 0.000 -11.501) 14.137 24.137 ( -0.971 -0.000 34.674) 34.687 24.883 ( -4.070 -0.000 0.494) 4.099 ======================= Grid point 398 (191/433) ======================= q-point: (-0.25 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -31.520 18.375 28.301) 46.175 2.760 ( -37.388 -5.850 -15.555) 40.915 2.924 ( -30.921 -28.407 26.752) 49.787 4.562 ( -3.206 -6.139 -6.373) 9.412 4.969 ( 12.805 5.116 -1.764) 13.901 5.249 ( 5.737 0.367 -10.476) 11.950 5.676 ( -1.486 3.492 7.711) 8.594 6.189 ( 0.055 -2.730 2.404) 3.638 7.108 ( 12.816 3.860 -1.351) 13.452 7.420 ( 9.397 -1.517 -8.603) 12.830 7.570 ( -21.322 0.288 -8.785) 23.062 8.722 ( 7.518 -0.061 8.891) 11.644 9.239 ( 3.294 4.451 9.701) 11.170 9.400 ( -5.671 -5.491 0.113) 7.895 10.799 ( 1.372 -9.472 9.507) 13.491 11.900 ( 0.220 -0.249 4.887) 4.898 12.563 ( 4.795 8.402 -12.885) 16.112 13.442 ( 0.380 5.871 -25.666) 26.332 13.761 ( -2.355 0.955 0.321) 2.561 14.483 ( 0.611 9.898 -32.969) 34.428 19.139 ( -16.727 -11.610 26.288) 33.251 23.205 ( 7.110 -5.595 -9.904) 13.414 24.361 ( 6.144 -2.424 32.905) 33.561 24.857 ( -3.397 -0.850 -0.019) 3.502 ======================= Grid point 399 (192/433) ======================= q-point: (-0.17 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -23.247 -2.515 13.100) 26.802 2.358 ( -39.622 -5.900 -22.123) 45.762 3.388 ( -23.332 -31.059 31.791) 50.197 4.653 ( -1.128 -8.812 -2.014) 9.109 4.924 ( 6.027 6.934 -3.733) 9.916 5.257 ( 4.517 -1.001 -8.676) 9.832 5.646 ( 0.851 5.556 11.473) 12.776 6.220 ( -0.471 -1.508 -4.741) 4.998 7.127 ( 2.835 3.557 -6.436) 7.882 7.195 ( -10.593 5.639 -10.565) 15.988 7.614 ( 4.379 -7.066 -1.156) 8.393 8.759 ( 0.355 3.210 3.244) 4.578 9.318 ( 8.841 4.814 14.887) 17.972 9.478 ( 0.954 -7.858 2.307) 8.245 11.089 ( 2.397 -15.913 8.624) 18.257 11.920 ( -0.930 1.196 2.136) 2.619 12.292 ( -1.724 15.145 -13.434) 20.318 13.145 ( -1.003 8.487 -29.444) 30.660 13.718 ( -2.970 1.540 1.461) 3.650 14.193 ( -6.205 5.740 -9.662) 12.838 19.421 ( -15.837 -22.361 25.001) 37.093 23.259 ( 1.190 1.893 -1.290) 2.581 24.672 ( 15.401 -4.727 13.769) 21.193 24.856 ( 0.948 -1.489 0.304) 1.791 ======================= Grid point 400 (193/433) ======================= q-point: (-0.08 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -8.140 -24.932 -6.503) 27.021 2.032 ( -36.212 -10.623 -19.657) 42.551 3.869 ( -15.644 -27.025 27.128) 41.364 4.779 ( 1.270 -4.728 2.328) 5.421 4.857 ( 3.852 3.781 0.107) 5.398 5.181 ( -0.391 9.086 -7.606) 11.856 5.682 ( 1.931 -2.412 9.721) 10.200 6.195 ( -2.235 -2.172 -8.305) 8.871 6.833 ( -10.530 7.353 -17.570) 21.763 7.195 ( 4.461 -1.237 -0.732) 4.687 7.767 ( 3.920 -6.165 1.667) 7.493 8.703 ( -1.894 3.265 1.557) 4.084 9.296 ( 1.493 9.258 7.936) 12.285 9.710 ( 10.715 -5.422 10.005) 15.631 11.416 ( 1.283 -11.229 3.942) 11.970 11.758 ( -7.746 4.923 -8.061) 12.215 12.099 ( 0.332 0.600 0.227) 0.722 12.881 ( 1.634 6.334 -22.158) 23.104 13.679 ( -3.995 0.709 3.364) 5.270 14.051 ( -7.217 3.095 3.864) 8.752 19.870 ( -14.312 -30.778 23.205) 41.116 23.131 ( -5.161 13.222 8.748) 16.673 24.787 ( 0.456 -0.139 -3.117) 3.154 25.022 ( 21.546 -2.452 -3.928) 22.038 ======================= Grid point 410 (194/433) ======================= q-point: (-0.25 -0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -35.610 -0.000 16.917) 39.424 2.305 ( -33.842 -0.000 33.597) 47.687 2.319 ( -39.529 -0.000 -0.731) 39.536 4.453 ( -1.754 -0.000 -4.483) 4.814 5.092 ( 8.348 0.000 -7.296) 11.087 5.237 ( 6.288 0.000 -14.006) 15.353 5.716 ( -2.477 -0.000 7.457) 7.858 6.219 ( 1.537 0.000 9.863) 9.982 7.269 ( -11.596 -0.000 -0.294) 11.600 7.313 ( 2.644 0.000 -15.213) 15.441 7.434 ( 9.218 0.000 -8.188) 12.330 8.861 ( 9.352 0.000 8.781) 12.828 9.183 ( -11.570 -0.000 0.598) 11.585 9.441 ( 5.026 0.000 12.069) 13.074 10.782 ( 1.746 0.000 9.305) 9.467 11.924 ( -0.357 -0.000 4.832) 4.845 12.629 ( 6.395 0.000 -11.474) 13.136 13.323 ( -2.406 -0.000 -36.770) 36.848 13.750 ( -2.239 -0.000 0.136) 2.243 14.368 ( -1.630 -0.000 -37.234) 37.270 19.032 ( -16.795 -0.000 26.581) 31.443 23.156 ( 8.230 0.000 -11.360) 14.028 24.605 ( 7.020 0.000 41.381) 41.972 24.816 ( -3.550 -0.000 0.338) 3.566 ======================= Grid point 411 (195/433) ======================= q-point: (-0.17 -0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -35.632 14.544 17.789) 42.398 1.796 ( -40.695 2.608 -6.136) 41.238 2.766 ( -28.955 -36.032 38.654) 60.256 4.502 ( 1.808 -7.886 -1.093) 8.164 5.049 ( 3.592 5.267 -7.478) 9.827 5.225 ( 5.613 -0.843 -12.603) 13.822 5.744 ( -1.899 0.107 9.040) 9.238 6.236 ( -1.410 5.226 4.835) 7.258 6.969 ( -23.519 -0.748 -12.471) 26.631 7.309 ( 11.307 8.507 -5.621) 15.226 7.591 ( 13.659 -5.913 -2.293) 15.060 8.858 ( -0.813 6.991 3.520) 7.869 9.305 ( 1.465 -15.433 4.529) 16.150 9.520 ( 3.999 2.775 12.687) 13.589 10.933 ( 1.798 -9.657 9.170) 13.438 11.942 ( -0.863 0.451 3.674) 3.801 12.466 ( -1.385 16.360 -16.849) 23.526 13.019 ( -5.926 1.065 -40.608) 41.052 13.721 ( -2.387 1.010 0.306) 2.610 14.144 ( -5.003 2.628 -15.303) 16.313 19.123 ( -16.427 -11.602 26.186) 33.018 23.226 ( 6.771 -4.916 -9.563) 12.707 24.780 ( -1.364 0.561 2.711) 3.086 24.941 ( 14.439 -2.078 28.542) 32.054 ======================= Grid point 412 (196/433) ======================= q-point: (-0.08 -0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -28.892 -8.027 1.914) 30.047 1.462 ( -30.494 -5.820 1.044) 31.062 3.341 ( -22.797 -34.461 36.409) 55.072 4.714 ( 5.866 -9.407 4.183) 11.849 4.955 ( 2.975 4.266 -2.761) 5.888 5.207 ( 2.251 1.366 -9.819) 10.166 5.753 ( -2.357 2.565 9.985) 10.575 6.091 ( -7.417 2.362 -7.087) 10.527 6.782 ( -8.460 1.957 -6.384) 10.778 7.233 ( 5.740 4.262 -6.574) 9.713 7.780 ( 11.765 -2.398 1.470) 12.097 8.752 ( -2.819 4.345 1.208) 5.318 9.444 ( -1.355 3.554 3.675) 5.289 9.733 ( 11.594 -10.256 11.080) 19.036 11.222 ( 2.086 -15.484 8.046) 17.574 11.792 ( -12.096 14.043 -11.557) 21.843 12.097 ( -4.450 2.196 -3.800) 6.250 12.829 ( 1.620 0.523 -24.019) 24.079 13.680 ( -2.860 1.372 1.310) 3.432 14.040 ( -4.676 0.840 0.839) 4.824 19.410 ( -15.281 -22.546 25.078) 37.024 23.266 ( 1.067 2.471 -1.168) 2.934 24.771 ( -0.992 -0.213 -0.699) 1.232 25.211 ( 20.584 1.835 5.403) 21.361 ======================= Grid point 423 (197/433) ======================= q-point: (-0.17 -0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -43.248 -0.000 -16.416) 46.259 2.077 ( -33.487 -0.000 38.200) 50.800 2.115 ( -29.830 -0.000 46.979) 55.649 4.437 ( 2.850 0.000 -0.424) 2.882 5.064 ( 1.175 0.000 -10.167) 10.234 5.209 ( 5.701 0.000 -8.815) 10.498 5.775 ( -0.548 -0.000 9.810) 9.826 6.365 ( 0.717 0.000 10.773) 10.796 6.623 ( -27.691 -0.000 -11.393) 29.943 7.492 ( 8.247 0.000 -9.993) 12.956 7.659 ( 23.160 0.000 0.643) 23.169 9.051 ( -7.037 -0.000 7.577) 10.341 9.058 ( 4.991 0.000 1.872) 5.330 9.629 ( 0.829 0.000 11.432) 11.462 10.913 ( 1.114 0.000 9.487) 9.552 11.959 ( -0.998 -0.000 3.925) 4.050 12.551 ( -25.544 -0.000 -55.212) 60.834 12.631 ( 6.521 0.000 -9.601) 11.606 13.710 ( -2.006 -0.000 -0.187) 2.015 14.053 ( -2.446 -0.000 -9.466) 9.776 19.018 ( -16.548 -0.000 26.549) 31.283 23.180 ( 7.896 0.000 -11.413) 13.878 24.766 ( -2.526 -0.000 0.911) 2.685 25.264 ( 18.057 0.000 31.892) 36.649 ======================= Grid point 424 (198/433) ======================= q-point: (-0.08 -0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -26.523 -7.387 2.696) 27.664 1.518 ( -30.157 24.031 41.332) 56.527 2.706 ( -26.544 -38.489 43.236) 63.682 4.597 ( 6.883 -12.198 0.963) 14.039 4.994 ( 0.830 2.192 -9.147) 9.443 5.235 ( 6.544 0.294 -0.603) 6.578 5.825 ( 0.755 2.069 11.135) 11.351 6.115 ( -12.974 13.451 -0.810) 18.706 6.626 ( -6.597 -10.466 3.366) 12.821 7.395 ( 8.005 10.646 -9.013) 16.083 7.896 ( 19.470 -0.636 -1.621) 19.547 8.835 ( -4.078 9.169 3.390) 10.592 9.394 ( 3.970 -12.925 0.396) 13.527 9.715 ( 2.825 -6.095 10.347) 12.336 11.061 ( 1.080 -10.002 10.089) 14.248 11.819 ( -21.195 14.041 -20.013) 32.355 12.026 ( -6.930 -1.655 -3.849) 8.098 12.697 ( 4.671 -4.363 -15.345) 16.623 13.683 ( -1.891 0.987 0.034) 2.134 14.020 ( 0.074 -0.281 -0.341) 0.448 19.114 ( -15.982 -11.841 26.335) 33.003 23.242 ( 6.347 -4.481 -9.503) 12.275 24.755 ( -1.505 -0.271 0.970) 1.811 25.506 ( 16.482 6.218 10.351) 20.432 ======================= Grid point 436 (199/433) ======================= q-point: (-0.08 -0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 8.437 0.000 32.746) 33.816 1.938 ( -30.099 -0.000 43.189) 52.643 2.157 ( -25.232 -0.000 52.440) 58.195 4.536 ( 5.780 0.000 3.209) 6.611 4.968 ( 0.957 0.000 -9.517) 9.565 5.290 ( 3.561 0.000 3.228) 4.806 5.932 ( 4.608 0.000 0.960) 4.706 6.261 ( -0.161 -0.000 12.678) 12.679 6.445 ( -4.508 -0.000 9.054) 10.114 7.526 ( 8.421 0.000 -11.108) 13.939 8.082 ( 21.919 0.000 -7.745) 23.247 9.073 ( -1.475 -0.000 -4.919) 5.135 9.146 ( 6.485 0.000 9.598) 11.584 9.692 ( -5.812 -0.000 7.491) 9.481 11.036 ( -0.154 -0.000 11.159) 11.160 11.607 ( -18.340 -0.000 -12.105) 21.975 11.973 ( -1.536 -0.000 2.876) 3.261 12.655 ( 6.405 0.000 -7.897) 10.168 13.676 ( -1.166 -0.000 -0.418) 1.239 14.045 ( 5.926 0.000 0.399) 5.939 19.011 ( -16.098 -0.000 26.847) 31.304 23.194 ( 7.381 0.000 -11.594) 13.744 24.749 ( -1.119 -0.000 2.062) 2.346 25.719 ( 4.808 0.000 0.431) 4.827 ======================= Grid point 437 (200/433) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 26.382 0.000 31.975) 41.453 2.818 ( -20.081 -0.000 42.007) 46.560 3.388 ( -14.439 -0.000 49.372) 51.441 4.557 ( 8.825 0.000 -15.624) 17.944 5.025 ( -2.754 -0.000 16.603) 16.830 5.293 ( -6.550 -0.000 -1.689) 6.765 5.858 ( 4.573 0.000 -1.197) 4.727 6.414 ( -13.611 -0.000 -2.453) 13.830 6.854 ( 11.648 0.000 2.421) 11.897 7.318 ( 14.502 0.000 -14.200) 20.296 8.077 ( 6.905 0.000 -2.345) 7.293 8.720 ( -10.885 -0.000 -8.768) 13.977 9.311 ( 3.505 0.000 2.185) 4.130 9.590 ( -14.438 -0.000 -1.146) 14.484 11.246 ( -8.088 -0.000 10.537) 13.283 11.977 ( -3.470 -0.000 -0.280) 3.482 12.031 ( 37.540 0.000 -0.789) 37.548 12.534 ( 5.770 0.000 -7.882) 9.769 13.663 ( 0.434 0.000 0.511) 0.670 14.170 ( 11.567 0.000 -5.660) 12.878 19.654 ( -19.970 -0.000 35.268) 40.530 22.892 ( 10.655 0.000 -18.553) 21.395 24.853 ( 1.256 0.000 4.658) 4.825 25.347 ( -20.678 -0.000 -3.251) 20.932 ======================= Grid point 438 (201/433) ======================= q-point: ( 0.08 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -10.008 23.679 41.855) 49.120 2.889 ( 17.638 -0.282 31.435) 36.046 3.785 ( -13.235 -21.540 41.244) 48.376 4.551 ( 4.406 -2.516 -17.463) 18.185 5.109 ( -6.466 -2.350 12.332) 14.122 5.333 ( 1.042 -11.179 1.253) 11.298 5.866 ( 4.172 4.234 1.271) 6.078 6.189 ( -12.460 7.589 -6.775) 16.085 6.883 ( 5.491 5.681 -3.607) 8.686 7.385 ( 15.479 0.312 -10.187) 18.532 8.125 ( 2.832 -0.748 2.328) 3.742 8.527 ( -10.090 3.632 -6.858) 12.729 9.294 ( -3.126 5.536 2.499) 6.831 9.520 ( -9.926 -5.535 -2.741) 11.691 11.288 ( -7.836 -6.562 9.883) 14.217 11.932 ( -2.003 0.583 -0.987) 2.308 12.363 ( 36.136 1.706 -4.699) 36.481 12.519 ( 6.122 2.161 -9.144) 11.214 13.671 ( 0.593 0.194 1.457) 1.585 14.236 ( 11.132 0.696 -7.558) 13.474 19.764 ( -19.498 -11.469 34.990) 41.665 22.962 ( 10.316 -8.185 -18.349) 22.585 24.872 ( -0.261 2.813 4.910) 5.665 25.063 ( -21.302 7.070 -0.417) 22.449 ======================= Grid point 439 (202/433) ======================= q-point: ( 0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -11.616 17.857 40.393) 45.666 3.240 ( 20.494 -0.577 23.556) 31.229 4.144 ( -8.425 -9.194 20.483) 23.981 4.546 ( -0.364 -4.615 -11.685) 12.569 5.166 ( -11.999 -10.380 8.148) 17.835 5.567 ( -0.425 -2.405 1.983) 3.146 5.835 ( 3.706 -2.101 -2.157) 4.775 5.939 ( 0.092 6.731 -2.819) 7.298 6.778 ( 0.286 5.857 -3.474) 6.816 7.435 ( 13.021 4.466 -7.455) 15.655 8.171 ( -4.604 -3.010 2.466) 6.028 8.403 ( -3.346 -0.663 -1.936) 3.922 9.146 ( -9.082 5.222 1.625) 10.602 9.496 ( -3.354 0.514 -1.796) 3.839 11.407 ( -6.870 -8.684 7.825) 13.559 11.923 ( -2.037 -2.743 -1.456) 3.714 12.423 ( 6.358 6.870 -5.334) 10.774 12.608 ( 29.267 4.517 -8.817) 30.898 13.686 ( -0.178 -0.496 3.051) 3.096 14.259 ( 6.905 1.908 -5.911) 9.288 20.063 ( -18.572 -21.781 33.921) 44.384 23.117 ( 8.473 -9.148 -14.914) 19.440 24.636 ( -19.141 11.565 0.370) 22.366 24.927 ( 1.389 2.221 1.784) 3.169 ======================= Grid point 440 (203/433) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -3.555 1.533 26.222) 26.506 3.495 ( 11.240 1.677 14.913) 18.750 4.154 ( -5.321 3.325 -3.971) 7.425 4.544 ( 0.651 0.655 -5.861) 5.933 5.276 ( -11.776 0.061 5.577) 13.030 5.453 ( -4.762 -5.540 0.318) 7.312 5.738 ( 4.065 9.683 -4.312) 11.352 6.204 ( 7.021 -16.267 7.507) 19.242 6.690 ( -1.434 0.974 -2.718) 3.224 7.382 ( 8.325 8.716 -5.998) 13.463 8.165 ( -8.836 -5.689 -4.356) 11.376 8.458 ( 0.482 -3.282 6.701) 7.477 8.992 ( -11.927 2.242 0.854) 12.166 9.437 ( 3.599 5.701 2.376) 7.148 11.513 ( -5.872 -5.759 5.408) 9.844 11.976 ( -1.908 -6.842 -2.743) 7.614 12.320 ( 4.267 7.140 -4.603) 9.507 12.685 ( 24.122 9.980 -7.098) 27.053 13.723 ( -2.086 -2.561 4.632) 5.690 14.242 ( 2.517 2.536 -1.487) 3.870 20.520 ( -17.382 -29.619 32.136) 47.033 23.203 ( 2.236 1.014 -3.319) 4.128 24.307 ( -12.585 5.232 -8.391) 16.005 24.912 ( 4.490 3.553 -0.609) 5.758 ======================= Grid point 441 (204/433) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 5.343 -15.158 7.651) 17.801 3.489 ( -8.235 5.152 -2.361) 9.997 3.944 ( 0.102 14.019 -11.692) 18.255 4.507 ( 6.901 2.383 -3.246) 7.990 5.106 ( -1.684 7.934 -0.064) 8.111 5.555 ( 9.120 8.826 -3.531) 13.173 5.666 ( -15.102 -12.323 9.404) 21.642 6.448 ( -3.610 -2.709 7.743) 8.962 6.761 ( 5.626 -11.746 -7.860) 15.212 7.242 ( 4.008 10.250 -5.215) 12.179 8.194 ( -7.286 -9.755 -4.876) 13.116 8.529 ( -1.120 0.683 8.700) 8.798 8.860 ( -14.076 -0.318 0.610) 14.093 9.442 ( 11.125 4.341 9.243) 15.101 11.545 ( -5.999 -1.560 3.495) 7.116 12.076 ( -0.760 -8.519 -5.561) 10.202 12.221 ( 3.380 5.681 -3.502) 7.481 12.647 ( 19.028 13.327 -4.943) 23.750 13.782 ( -5.231 -4.964 5.291) 8.944 14.210 ( -0.051 3.274 4.430) 5.509 21.081 ( -16.135 -34.073 29.733) 48.014 23.034 ( -7.666 18.557 12.009) 23.395 24.186 ( -1.689 -7.160 -19.089) 20.458 24.881 ( 7.130 4.665 -4.313) 9.550 ======================= Grid point 442 (205/433) ======================= q-point: ( 0.42 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 2.849 -17.023 -6.806) 18.553 3.247 ( -11.957 -1.900 -14.887) 19.189 3.545 ( 3.784 24.674 -17.690) 30.595 4.567 ( 9.135 0.650 3.126) 9.677 4.990 ( -1.727 4.896 0.877) 5.265 5.441 ( 9.590 12.200 2.741) 15.758 5.785 ( -14.369 -11.269 4.393) 18.782 6.405 ( -7.822 2.233 1.078) 8.206 6.946 ( 4.176 -3.558 -7.790) 9.528 7.087 ( 2.878 4.377 -6.017) 7.978 8.291 ( -6.796 -8.971 -2.535) 11.536 8.501 ( -2.409 2.040 2.723) 4.169 8.790 ( -9.431 -1.990 9.247) 13.357 9.586 ( 12.902 -0.243 12.744) 18.136 11.501 ( -6.815 1.235 2.079) 7.231 12.133 ( 2.819 2.659 -4.451) 5.901 12.198 ( 0.449 -7.127 -7.644) 10.461 12.543 ( 14.848 14.305 -2.265) 20.742 13.840 ( -8.159 -5.355 4.685) 10.825 14.184 ( -1.341 3.583 10.354) 11.039 21.684 ( -14.987 -34.839 26.843) 46.464 22.616 ( -12.384 28.366 18.881) 36.256 24.257 ( 3.375 -11.334 -19.937) 23.181 24.840 ( 10.296 5.148 -8.679) 14.417 ======================= Grid point 443 (206/433) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -23.619 8.483 -16.426) 29.994 3.019 ( 5.076 29.440 -18.070) 34.914 3.542 ( 12.856 -30.726 -16.526) 37.181 4.641 ( 5.400 2.290 5.930) 8.340 4.910 ( -2.259 2.371 0.421) 3.302 5.359 ( 8.477 11.168 9.344) 16.849 5.839 ( -12.629 -8.105 1.570) 15.089 6.271 ( -8.534 2.585 -5.408) 10.429 6.800 ( -0.730 12.085 -5.437) 13.272 7.134 ( 5.247 -3.957 -8.305) 10.590 8.228 ( -5.242 6.861 2.425) 8.968 8.571 ( -4.510 -10.775 -2.714) 11.992 8.854 ( -2.789 -4.551 13.815) 14.810 9.790 ( 10.914 -2.000 12.556) 16.756 11.417 ( -7.260 1.793 1.271) 7.586 12.077 ( 2.282 3.320 -4.793) 6.261 12.288 ( 1.297 -7.527 -10.433) 12.930 12.420 ( 10.790 13.135 0.662) 17.011 13.854 ( -8.685 -2.257 4.488) 10.033 14.181 ( -3.003 2.181 13.206) 13.717 22.085 ( -14.116 32.600 22.223) 41.903 22.262 ( -13.654 -31.887 23.425) 41.856 24.383 ( 4.520 -10.497 -16.352) 19.950 24.805 ( 13.626 4.575 -13.143) 19.477 ======================= Grid point 444 (207/433) ======================= q-point: (-0.42 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -23.703 11.653 -13.845) 29.821 2.470 ( 2.509 28.547 -12.265) 31.171 4.110 ( 13.201 -31.120 -17.430) 38.033 4.633 ( 0.855 6.102 6.808) 9.182 4.899 ( 0.160 -1.694 2.293) 2.855 5.307 ( 3.541 10.107 15.906) 19.175 5.842 ( -9.574 -3.294 -1.289) 10.206 6.146 ( -6.793 -2.627 -8.780) 11.408 6.525 ( -1.087 15.256 -5.279) 16.180 7.180 ( 5.238 -0.821 -6.980) 8.765 8.086 ( -0.752 7.989 4.453) 9.178 8.658 ( -5.976 -5.489 1.071) 8.185 9.028 ( -0.825 -9.734 7.755) 12.473 9.969 ( 7.848 -1.263 10.139) 12.884 11.337 ( -6.826 0.310 0.992) 6.905 12.004 ( 2.247 5.062 -4.424) 7.089 12.290 ( 4.107 7.747 -0.630) 8.791 12.376 ( 3.884 -3.754 -8.152) 9.779 13.815 ( -7.255 1.030 5.306) 9.047 14.188 ( -4.464 1.306 11.705) 12.595 21.511 ( -15.168 34.169 25.204) 45.088 22.751 ( -11.520 -25.192 18.471) 33.294 24.508 ( 4.319 -8.392 -11.962) 15.237 24.801 ( 15.792 1.821 -16.333) 22.792 ======================= Grid point 445 (208/433) ======================= q-point: (-0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -14.677 12.858 -2.255) 19.643 2.009 ( -4.598 19.517 1.783) 20.131 4.512 ( -4.118 2.423 2.769) 5.522 4.631 ( 9.910 -18.376 -8.866) 22.682 4.982 ( 5.084 -1.882 6.402) 8.389 5.232 ( -4.136 10.265 19.109) 22.083 5.763 ( -4.652 0.842 -5.703) 7.407 6.190 ( -0.920 -12.256 -9.615) 15.605 6.233 ( -1.241 14.910 -0.432) 14.967 7.180 ( 4.430 1.965 -5.994) 7.708 8.001 ( 3.877 6.682 4.487) 8.934 8.676 ( -5.741 -2.442 2.071) 6.574 9.215 ( -2.080 -10.072 2.099) 10.496 10.074 ( 4.434 0.944 6.016) 7.533 11.302 ( -5.272 -2.110 1.050) 5.775 11.891 ( 2.048 9.095 -0.489) 9.336 12.200 ( 0.778 5.188 0.696) 5.292 12.426 ( 3.447 -3.455 -9.457) 10.642 13.756 ( -5.536 2.111 5.014) 7.762 14.176 ( -4.048 2.119 8.306) 9.480 20.941 ( -16.393 32.863 28.191) 46.298 23.083 ( -6.403 -13.840 9.704) 18.075 24.613 ( 3.458 -6.121 -7.634) 10.378 24.871 ( 14.193 -4.730 -15.657) 21.655 ======================= Grid point 446 (209/433) ======================= q-point: (-0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 1.962 10.188 17.461) 20.311 1.811 ( -12.898 0.790 23.021) 26.400 4.340 ( -9.100 13.977 14.533) 22.121 4.864 ( -4.683 -4.151 -6.881) 9.301 5.095 ( 1.484 7.995 15.523) 17.523 5.177 ( 16.083 -2.807 4.057) 16.823 5.727 ( -4.603 -5.389 -4.912) 8.623 6.022 ( -3.599 7.195 4.646) 9.290 6.420 ( 6.176 -16.015 -7.021) 18.545 7.132 ( 3.457 3.919 -5.224) 7.389 7.973 ( 7.546 5.200 2.363) 9.463 8.672 ( -5.605 -2.743 0.586) 6.267 9.341 ( -3.321 -7.249 -1.714) 8.155 10.075 ( 0.592 4.053 1.032) 4.224 11.327 ( -2.248 -4.080 1.423) 4.871 11.732 ( 0.890 12.401 5.258) 13.499 12.135 ( -1.149 2.789 0.373) 3.039 12.453 ( 3.821 -1.868 -8.580) 9.576 13.704 ( -3.861 1.588 3.426) 5.401 14.138 ( -1.451 3.197 4.570) 5.763 20.423 ( -17.720 28.425 30.989) 45.632 23.199 ( 1.698 -0.445 -2.980) 3.459 24.695 ( 2.336 -4.087 -3.517) 5.876 25.053 ( 7.393 -13.094 -10.904) 18.574 ======================= Grid point 447 (210/433) ======================= q-point: (-0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 15.652 2.518 32.598) 36.248 2.001 ( -15.846 -16.867 39.804) 46.043 4.026 ( -14.880 23.457 27.591) 39.152 4.727 ( 0.924 7.892 -8.512) 11.645 5.056 ( -0.408 6.740 14.378) 15.885 5.384 ( 12.828 0.567 -1.356) 12.912 5.770 ( -1.998 -4.833 -4.694) 7.027 6.058 ( -3.416 -11.827 11.500) 16.846 6.698 ( 6.031 -9.850 -3.030) 11.941 7.095 ( 7.545 -0.072 -6.980) 10.279 7.981 ( 9.647 3.537 -0.903) 10.315 8.687 ( -5.824 -5.658 -0.839) 8.163 9.376 ( -3.263 -2.431 -4.487) 6.057 9.959 ( -4.419 6.849 -2.238) 8.452 11.399 ( -0.976 -2.631 1.721) 3.292 11.576 ( 4.874 10.874 10.433) 15.839 12.085 ( -1.217 2.355 0.756) 2.757 12.473 ( 4.565 -1.435 -7.446) 8.851 13.671 ( -2.201 0.598 1.641) 2.810 14.103 ( 2.876 3.077 1.130) 4.360 20.008 ( -18.953 20.990 33.242) 43.644 23.123 ( 8.215 8.267 -13.531) 17.858 24.758 ( 1.438 -2.487 0.174) 2.878 25.291 ( -2.121 -16.419 -7.184) 18.047 ======================= Grid point 448 (211/433) ======================= q-point: (-0.08 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 23.544 -1.658 35.351) 42.506 2.454 ( -17.504 -24.587 44.997) 54.182 3.615 ( -16.643 27.781 39.643) 51.189 4.594 ( 7.620 5.249 -11.738) 14.946 5.015 ( -2.989 4.926 14.566) 15.664 5.378 ( -1.815 3.173 -0.888) 3.762 5.812 ( 2.014 -2.787 -3.066) 4.607 6.359 ( -1.999 -15.158 4.395) 15.908 6.771 ( 4.148 2.805 3.428) 6.068 7.222 ( 14.499 -5.285 -12.546) 19.889 8.021 ( 9.717 0.905 -3.389) 10.331 8.749 ( -7.209 -8.856 -3.704) 12.005 9.325 ( -0.442 2.702 -3.641) 4.556 9.765 ( -10.347 5.798 -1.360) 11.938 11.321 ( -7.543 5.905 8.552) 12.842 11.699 ( 22.783 -1.783 5.449) 23.493 12.036 ( -0.571 2.946 0.604) 3.061 12.506 ( 5.506 -1.559 -7.189) 9.189 13.660 ( -0.644 -0.016 0.554) 0.850 14.110 ( 7.856 1.408 -2.160) 8.269 19.741 ( -19.790 11.210 34.691) 41.482 22.970 ( 10.565 8.077 -17.932) 22.325 24.810 ( 1.087 -1.252 3.037) 3.461 25.434 ( -12.394 -10.855 -5.828) 17.476 ======================= Grid point 450 (212/433) ======================= q-point: ( 0.08 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -16.060 -0.000 42.996) 45.897 3.087 ( 16.212 0.000 25.719) 30.402 3.701 ( -9.392 -0.000 46.607) 47.544 4.442 ( 0.404 0.000 -23.340) 23.343 5.166 ( -2.942 -0.000 -4.021) 4.983 5.191 ( -0.468 -0.000 17.477) 17.483 5.966 ( 6.423 0.000 1.999) 6.727 6.060 ( -16.966 -0.000 -7.784) 18.667 6.954 ( 2.876 0.000 -8.701) 9.164 7.453 ( 14.858 0.000 -10.966) 18.466 8.162 ( 1.458 0.000 4.670) 4.892 8.400 ( -12.916 -0.000 -8.559) 15.494 9.275 ( -16.511 -0.000 -3.480) 16.874 9.469 ( 9.062 0.000 7.488) 11.755 11.206 ( -9.540 -0.000 11.239) 14.742 11.894 ( -4.062 -0.000 -2.000) 4.528 12.540 ( 5.614 0.000 -9.799) 11.293 12.695 ( 39.212 0.000 -10.635) 40.629 13.691 ( 1.400 0.000 1.392) 1.975 14.306 ( 13.944 0.000 -13.315) 19.280 19.678 ( -19.819 -0.000 35.472) 40.633 22.879 ( 10.362 0.000 -18.792) 21.460 24.906 ( -26.557 -0.000 4.323) 26.907 24.938 ( 1.303 0.000 6.229) 6.364 ======================= Grid point 451 (213/433) ======================= q-point: ( 0.17 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -13.773 25.113 43.939) 52.450 3.485 ( 15.030 -5.580 19.547) 25.281 4.002 ( -11.122 -12.709 34.149) 38.097 4.324 ( -7.295 -6.855 -19.367) 21.802 5.049 ( -5.045 3.478 1.738) 6.369 5.450 ( 2.283 -13.359 8.881) 16.203 5.822 ( -9.293 4.595 -8.744) 13.562 6.027 ( 5.221 1.971 2.292) 6.033 6.847 ( -1.274 5.656 -10.233) 11.762 7.539 ( 13.527 -0.327 -10.022) 16.838 8.132 ( -7.930 4.034 0.410) 8.906 8.309 ( -4.846 -4.821 0.251) 6.841 9.085 ( -15.472 2.204 -2.989) 15.912 9.592 ( 11.387 2.612 7.150) 13.697 11.239 ( -10.035 -6.845 10.826) 16.271 11.854 ( -3.544 -1.176 -2.379) 4.427 12.507 ( 5.346 3.310 -10.087) 11.886 12.938 ( 33.739 3.881 -11.448) 35.840 13.709 ( 1.381 0.510 1.864) 2.375 14.327 ( 11.294 2.308 -14.130) 18.235 19.791 ( -19.605 -11.646 35.143) 41.893 22.946 ( 10.113 -8.282 -18.740) 22.848 24.627 ( -24.649 7.795 6.735) 26.715 24.981 ( 1.013 0.585 5.633) 5.753 ======================= Grid point 452 (214/433) ======================= q-point: ( 0.25 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -10.850 17.898 38.668) 43.970 3.665 ( 2.302 4.504 1.816) 5.375 4.062 ( -4.923 -4.116 -7.858) 10.146 4.499 ( -4.570 -10.968 17.835) 21.430 5.020 ( -11.072 -7.863 6.833) 15.202 5.496 ( -2.729 7.812 -5.486) 9.928 5.832 ( 6.423 -5.992 -6.525) 10.942 6.083 ( 4.442 -4.638 8.903) 10.977 6.682 ( -3.912 3.951 -8.107) 9.830 7.564 ( 11.137 5.577 -7.956) 14.779 7.981 ( -11.781 -0.676 -5.173) 12.884 8.407 ( -1.764 -6.044 7.661) 9.916 8.897 ( -14.321 2.103 -2.036) 14.618 9.661 ( 13.264 6.671 7.209) 16.504 11.349 ( -9.468 -9.276 9.124) 16.091 11.852 ( -2.733 -3.660 -2.526) 5.220 12.424 ( 4.737 5.335 -9.140) 11.595 13.048 ( 27.312 8.908 -10.194) 30.483 13.719 ( 0.571 0.580 1.944) 2.108 14.296 ( 6.046 2.566 -8.953) 11.103 20.092 ( -19.000 -22.014 34.023) 44.757 23.105 ( 8.684 -10.125 -16.019) 20.845 24.292 ( -20.339 10.404 5.313) 23.456 24.996 ( 1.969 2.102 3.405) 4.459 ======================= Grid point 453 (215/433) ======================= q-point: ( 0.33 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -3.523 2.777 24.029) 24.444 3.413 ( -18.645 6.499 -17.540) 26.411 4.078 ( 5.750 4.099 -4.081) 8.156 4.616 ( 5.585 2.645 5.434) 8.229 5.156 ( -11.557 -6.955 11.504) 17.728 5.350 ( -3.622 -2.448 -3.106) 5.363 5.820 ( 8.428 8.481 -2.822) 12.285 6.342 ( -2.143 -10.943 6.360) 12.837 6.595 ( -0.158 -4.552 -8.857) 9.960 7.460 ( 6.954 11.897 -3.831) 14.303 7.919 ( -10.138 -8.284 -8.078) 15.384 8.538 ( -1.435 -4.580 10.467) 11.515 8.737 ( -12.977 1.092 -0.320) 13.027 9.708 ( 13.949 6.825 8.461) 17.685 11.448 ( -8.291 -6.039 6.838) 12.327 11.903 ( -1.935 -6.758 -3.482) 7.845 12.322 ( 3.947 5.807 -7.437) 10.228 13.030 ( 21.466 13.161 -8.517) 26.581 13.721 ( -1.993 -0.518 1.865) 2.778 14.271 ( 2.254 1.528 -0.941) 2.881 20.547 ( -18.170 -29.778 32.125) 47.423 23.207 ( 2.438 0.447 -3.890) 4.613 24.013 ( -11.302 3.317 -4.443) 12.589 24.984 ( 3.633 3.270 -0.183) 4.892 ======================= Grid point 454 (216/433) ======================= q-point: ( 0.42 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 2.649 -10.465 4.787) 11.809 3.020 ( -19.920 3.697 -19.758) 28.299 3.891 ( 6.968 18.923 -12.615) 23.786 4.658 ( 6.591 0.787 1.065) 6.723 5.094 ( -1.705 6.835 4.263) 8.234 5.473 ( -13.359 -13.196 6.656) 19.922 5.739 ( 10.655 9.891 1.154) 14.584 6.338 ( -10.863 0.680 -2.084) 11.082 6.784 ( 6.203 -13.475 -7.937) 16.824 7.275 ( 4.281 13.510 -1.830) 14.290 7.984 ( -8.471 -13.675 -6.272) 17.266 8.554 ( -5.438 4.574 2.394) 7.498 8.707 ( -6.032 -5.622 11.633) 14.259 9.791 ( 12.257 3.218 9.548) 15.866 11.466 ( -7.456 -0.800 5.056) 9.044 11.999 ( -0.572 -8.507 -5.743) 10.280 12.223 ( 2.915 5.157 -5.952) 8.398 12.915 ( 16.008 15.147 -6.909) 23.095 13.730 ( -4.847 -2.707 3.174) 6.395 14.269 ( -0.147 1.750 6.054) 6.303 21.101 ( -17.299 -34.071 29.557) 48.309 23.027 ( -8.022 19.636 12.914) 24.834 23.981 ( 1.247 -10.601 -17.079) 20.140 24.953 ( 6.004 3.855 -4.778) 8.587 ======================= Grid point 455 (217/433) ======================= q-point: (-0.50 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -15.743 8.476 -15.188) 23.460 3.075 ( 7.420 -24.983 -11.463) 28.471 3.476 ( 9.185 27.403 -17.709) 33.896 4.706 ( 2.593 -0.860 0.430) 2.766 4.983 ( -2.916 6.998 5.889) 9.600 5.571 ( -9.816 -7.609 4.837) 13.329 5.700 ( 10.093 8.346 5.577) 14.234 6.181 ( -11.361 2.011 -7.825) 13.941 6.964 ( 5.166 -1.898 -5.199) 7.572 7.086 ( 3.937 7.250 -5.394) 9.857 8.132 ( -7.717 -13.231 -0.998) 15.350 8.439 ( -4.332 2.810 0.656) 5.205 8.830 ( -3.024 -4.518 14.184) 15.190 9.916 ( 8.180 -0.412 9.057) 12.211 11.408 ( -6.887 2.383 4.340) 8.482 12.105 ( 1.959 -6.441 -8.089) 10.524 12.139 ( 1.071 2.258 -5.497) 6.039 12.748 ( 10.931 14.763 -5.139) 19.075 13.756 ( -6.177 -3.417 5.208) 8.772 14.266 ( -2.538 2.581 10.439) 11.048 21.688 ( -16.479 -34.636 26.479) 46.608 22.606 ( -11.422 28.353 19.159) 36.075 24.134 ( 5.833 -13.274 -17.593) 22.798 24.914 ( 8.802 3.794 -10.046) 13.885 ======================= Grid point 456 (218/433) ======================= q-point: (-0.42 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -9.444 11.942 -8.806) 17.588 2.956 ( 9.097 30.934 -17.259) 36.572 3.590 ( 11.752 -31.245 -17.010) 37.466 4.738 ( -0.242 0.540 4.033) 4.076 4.883 ( -4.103 2.645 4.039) 6.335 5.610 ( -0.492 3.590 10.987) 11.569 5.693 ( 1.757 1.476 3.935) 4.555 6.009 ( -7.945 0.167 -11.625) 14.082 6.793 ( 2.819 16.258 -0.973) 16.529 7.137 ( 5.562 -4.966 -9.410) 12.006 8.196 ( -4.078 1.574 6.923) 8.188 8.453 ( -4.266 -9.550 -3.248) 10.952 8.952 ( -2.553 -4.385 12.067) 13.091 10.033 ( 2.743 -1.979 6.705) 7.509 11.328 ( -5.407 2.727 4.650) 7.635 12.055 ( 1.303 3.280 -5.476) 6.514 12.210 ( 2.395 -7.024 -9.610) 12.142 12.569 ( 6.590 12.841 -2.885) 14.719 13.779 ( -5.934 -1.625 6.665) 9.070 14.248 ( -4.814 2.740 11.912) 13.137 22.069 ( -14.105 27.059 22.226) 37.751 22.268 ( -13.682 -26.379 23.282) 37.751 24.318 ( 6.829 -11.490 -14.292) 19.568 24.879 ( 11.279 2.896 -15.459) 19.354 ======================= Grid point 457 (219/433) ======================= q-point: (-0.33 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 3.915 12.287 5.286) 13.937 2.426 ( 6.266 29.800 -10.303) 32.147 4.114 ( 8.266 -29.018 -17.725) 34.994 4.687 ( -2.054 5.640 5.692) 8.272 4.933 ( -1.312 -7.921 4.594) 9.250 5.535 ( -1.556 11.722 15.188) 19.249 5.700 ( -0.537 1.078 -1.151) 1.666 5.980 ( 1.984 -7.967 -7.907) 11.398 6.521 ( 1.848 17.768 0.433) 17.869 7.193 ( 5.110 -1.414 -8.113) 9.692 8.154 ( 0.765 4.917 7.124) 8.689 8.554 ( -5.309 -7.254 -0.969) 9.041 9.064 ( -3.619 -6.209 6.543) 9.719 10.093 ( -2.977 -1.834 2.805) 4.482 11.285 ( -2.023 1.176 5.471) 5.950 11.984 ( 0.606 3.098 -4.247) 5.292 12.272 ( 3.769 -1.747 -9.484) 10.354 12.420 ( 2.858 7.020 -1.195) 7.673 13.771 ( -4.831 1.201 7.121) 8.688 14.218 ( -5.751 2.203 10.556) 12.221 21.521 ( -14.162 34.034 25.546) 44.849 22.735 ( -12.193 -25.279 18.303) 33.507 24.483 ( 6.415 -8.663 -10.356) 14.948 24.859 ( 11.880 0.314 -19.614) 22.933 ======================= Grid point 458 (220/433) ======================= q-point: (-0.25 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 14.335 11.858 18.195) 26.023 2.018 ( 3.049 17.687 7.818) 19.577 4.400 ( -6.624 -6.272 -2.827) 9.550 4.677 ( 2.403 -5.537 -3.289) 6.874 5.160 ( 5.858 -14.017 4.243) 15.773 5.398 ( -1.051 11.386 14.861) 18.751 5.647 ( 0.720 3.173 -2.672) 4.211 6.167 ( 5.785 -3.069 -5.437) 8.512 6.270 ( 2.653 6.266 5.441) 8.712 7.190 ( 4.160 1.916 -6.414) 7.881 8.131 ( 4.126 4.610 5.554) 8.314 8.581 ( -5.720 -2.607 -0.267) 6.292 9.163 ( -5.357 -7.543 1.182) 9.327 10.066 ( -7.820 -0.396 -1.871) 8.051 11.318 ( 3.182 -0.837 5.765) 6.638 11.911 ( 0.876 4.986 -0.353) 5.075 12.204 ( 1.335 6.163 -2.678) 6.851 12.406 ( 3.055 -2.279 -6.204) 7.281 13.732 ( -3.723 2.783 6.329) 7.853 14.188 ( -4.042 1.753 7.266) 8.497 20.960 ( -15.540 33.055 28.676) 46.437 23.070 ( -6.703 -14.563 9.895) 18.840 24.613 ( 4.887 -6.033 -6.655) 10.226 24.882 ( 8.132 -5.120 -19.429) 21.676 ======================= Grid point 459 (221/433) ======================= q-point: (-0.17 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -5.285 2.697 25.931) 26.601 2.130 ( 21.355 2.736 31.024) 37.763 4.297 ( -10.659 8.734 11.874) 18.190 4.727 ( -2.135 -1.065 -5.879) 6.345 5.302 ( 0.582 10.405 16.189) 19.253 5.528 ( 16.768 -11.373 -1.584) 20.322 5.601 ( -1.310 -1.879 -4.720) 5.246 5.985 ( -5.417 7.172 3.700) 9.720 6.542 ( 9.296 -13.520 0.485) 16.415 7.158 ( 6.138 2.212 -4.668) 8.023 8.126 ( 5.576 4.592 3.942) 8.229 8.558 ( -6.129 -2.458 -1.841) 6.855 9.227 ( -6.504 -6.443 -1.729) 9.317 9.942 ( -11.163 2.182 -5.612) 12.684 11.418 ( 6.336 -1.076 4.265) 7.713 11.833 ( 4.806 7.651 5.693) 10.679 12.120 ( 0.065 2.659 -0.693) 2.749 12.440 ( 4.066 -2.155 -7.554) 8.845 13.688 ( -2.566 2.247 4.481) 5.631 14.170 ( 0.169 1.462 3.140) 3.467 20.447 ( -17.121 28.802 31.483) 45.977 23.198 ( 1.745 -0.911 -2.932) 3.532 24.710 ( 2.268 -4.838 -2.609) 5.946 24.968 ( -0.873 -11.203 -13.694) 17.714 ======================= Grid point 460 (222/433) ======================= q-point: (-0.08 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -11.114 -16.060 39.666) 44.214 2.505 ( 22.656 -0.741 33.970) 40.839 4.068 ( -12.379 17.765 26.223) 34.007 4.649 ( 1.752 3.438 -10.232) 10.936 5.198 ( -4.713 9.494 15.672) 18.920 5.508 ( 6.372 11.168 -4.373) 13.581 5.751 ( 2.045 -5.054 0.642) 5.490 6.065 ( -3.245 -16.280 -2.187) 16.744 6.767 ( 3.087 -6.032 -0.984) 6.847 7.240 ( 14.760 -3.581 -5.275) 16.078 8.117 ( 4.590 3.707 2.488) 6.404 8.547 ( -6.745 -4.840 -3.395) 8.969 9.251 ( -5.761 -4.525 -1.407) 7.459 9.740 ( -12.527 4.569 -5.989) 14.618 11.423 ( -2.990 6.429 6.012) 9.296 11.876 ( 12.073 0.378 3.394) 12.547 12.128 ( 11.061 0.557 0.403) 11.082 12.475 ( 5.056 -2.334 -8.269) 9.969 13.665 ( -1.001 0.734 2.557) 2.842 14.182 ( 5.632 0.576 -1.596) 5.882 20.032 ( -18.552 21.410 33.650) 43.988 23.122 ( 8.268 8.483 -14.060) 18.384 24.795 ( 0.333 -4.017 1.849) 4.434 25.064 ( -12.247 -12.554 -6.595) 18.737 ======================= Grid point 463 (223/433) ======================= q-point: ( 0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -13.826 -0.000 42.726) 44.908 3.535 ( 0.266 0.000 30.060) 30.061 4.003 ( -16.666 -0.000 -30.174) 34.470 4.015 ( -2.919 -0.000 29.251) 29.396 5.122 ( 3.000 0.000 -3.428) 4.555 5.353 ( -0.990 -0.000 13.192) 13.229 5.731 ( -6.229 -0.000 -9.585) 11.431 6.118 ( 6.252 0.000 3.662) 7.245 6.798 ( -4.616 -0.000 -14.946) 15.642 7.593 ( 11.806 0.000 -10.517) 15.811 8.095 ( -10.599 -0.000 -5.582) 11.980 8.237 ( -1.731 -0.000 9.698) 9.851 8.944 ( -14.894 -0.000 -3.152) 15.224 9.790 ( 15.381 0.000 8.020) 17.347 11.140 ( -11.638 -0.000 12.058) 16.758 11.797 ( -3.444 -0.000 -2.656) 4.349 12.528 ( 5.889 0.000 -11.668) 13.070 13.197 ( 30.109 0.000 -12.904) 32.758 13.738 ( 1.711 0.000 1.790) 2.476 14.366 ( 12.167 0.000 -19.718) 23.170 19.703 ( -20.061 -0.000 35.562) 40.830 22.860 ( 10.158 0.000 -18.951) 21.502 24.513 ( -24.511 -0.000 9.814) 26.403 25.028 ( 0.352 0.000 7.046) 7.054 ======================= Grid point 464 (224/433) ======================= q-point: ( 0.25 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -14.763 24.773 42.413) 51.289 3.603 ( -19.916 3.976 -25.555) 32.642 3.931 ( 3.359 -13.760 16.697) 21.895 4.263 ( -9.880 -16.544 26.252) 32.565 5.028 ( 1.445 8.360 0.917) 8.534 5.531 ( -0.037 -3.429 0.952) 3.559 5.667 ( 3.223 -7.297 -7.052) 10.647 6.171 ( 4.509 2.011 4.321) 6.560 6.636 ( -5.941 2.641 -14.088) 15.516 7.627 ( 6.088 -1.674 -13.285) 14.709 7.930 ( -6.130 6.999 -0.797) 9.338 8.331 ( -2.343 -5.578 10.138) 11.806 8.792 ( -12.806 1.235 -1.501) 12.953 9.933 ( 15.473 4.544 6.340) 17.328 11.161 ( -11.975 -7.071 11.785) 18.229 11.769 ( -2.608 -1.719 -2.309) 3.884 12.489 ( 5.841 3.119 -11.836) 13.562 13.342 ( 25.119 4.589 -12.647) 28.495 13.757 ( 1.891 0.937 1.145) 2.400 14.335 ( 8.823 2.236 -17.276) 19.527 19.814 ( -20.039 -11.723 35.182) 42.152 22.923 ( 9.965 -8.220 -19.004) 22.979 24.299 ( -21.409 6.691 10.981) 24.974 25.058 ( 0.001 1.040 6.137) 6.225 ======================= Grid point 465 (225/433) ======================= q-point: ( 0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -12.174 17.521 35.749) 41.631 3.190 ( -22.182 4.343 -25.322) 33.942 4.166 ( 9.710 -0.803 1.536) 9.864 4.643 ( -10.611 -17.423 27.898) 34.561 4.933 ( -3.217 1.110 1.519) 3.727 5.432 ( 4.418 8.257 -7.864) 12.228 5.892 ( 5.966 -8.710 -5.368) 11.843 6.207 ( -1.443 -2.610 5.304) 6.084 6.493 ( -3.127 -0.231 -10.340) 10.805 7.621 ( -0.589 -4.673 -15.852) 16.537 7.751 ( -1.367 10.764 3.106) 11.287 8.475 ( -2.461 -6.765 11.306) 13.403 8.661 ( -9.993 1.611 0.980) 10.169 9.993 ( 13.390 7.096 4.783) 15.891 11.266 ( -11.057 -9.734 10.217) 17.928 11.783 ( -1.777 -3.688 -1.987) 4.550 12.408 ( 5.285 4.946 -10.662) 12.887 13.360 ( 20.079 9.525 -12.323) 25.411 13.743 ( 1.178 2.567 -0.735) 2.918 14.296 ( 4.760 0.811 -7.935) 9.289 20.111 ( -19.667 -22.037 33.961) 45.009 23.084 ( 8.912 -11.087 -17.012) 22.175 24.033 ( -16.863 10.045 9.841) 21.958 25.058 ( 0.573 2.223 3.373) 4.080 ======================= Grid point 466 (226/433) ======================= q-point: ( 0.42 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -5.462 4.100 20.714) 21.811 2.805 ( -16.687 4.348 -20.099) 26.483 4.153 ( 7.939 10.099 -7.656) 14.954 4.764 ( 5.690 5.663 0.057) 8.027 5.064 ( -15.852 -15.062 16.885) 27.627 5.314 ( 2.392 5.002 -0.672) 5.585 5.955 ( 9.028 3.969 -2.677) 10.219 6.207 ( -12.156 -1.829 -3.945) 12.911 6.567 ( 5.275 -11.986 -6.312) 14.537 7.566 ( 6.394 14.801 0.978) 16.153 7.641 ( -8.669 -11.662 -10.064) 17.676 8.555 ( -8.886 1.237 3.516) 9.636 8.641 ( -1.124 -5.680 12.322) 13.614 10.008 ( 9.689 5.824 3.827) 11.935 11.368 ( -9.239 -6.484 8.179) 13.939 11.840 ( -1.074 -6.064 -2.708) 6.727 12.307 ( 4.081 5.546 -8.837) 11.203 13.252 ( 14.997 13.698 -12.653) 23.930 13.704 ( -0.760 1.373 0.897) 1.808 14.307 ( 1.780 -0.205 0.816) 1.969 20.557 ( -19.094 -29.631 31.918) 47.554 23.206 ( 2.633 -0.548 -4.679) 5.396 23.814 ( -7.372 2.637 -0.244) 7.833 25.032 ( 2.081 3.001 -0.795) 3.738 ======================= Grid point 467 (227/433) ======================= q-point: ( 0.50 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -4.845 8.715 -9.064) 13.475 2.740 ( 0.750 -14.092 -0.311) 14.116 3.898 ( 10.105 21.418 -15.046) 28.057 4.714 ( 2.404 2.081 -4.871) 5.817 5.104 ( -6.914 4.818 9.064) 12.376 5.372 ( -5.790 -8.551 9.275) 13.881 5.958 ( 10.512 5.623 2.446) 12.169 6.052 ( -13.409 1.313 -8.251) 15.799 6.804 ( 5.841 -12.829 -8.434) 16.426 7.362 ( 6.211 16.323 0.053) 17.465 7.774 ( -7.340 -16.957 -4.357) 18.984 8.468 ( -6.151 3.177 4.456) 8.233 8.798 ( -1.767 -5.565 13.354) 14.575 10.023 ( 4.579 2.290 2.815) 5.843 11.395 ( -7.185 -0.826 7.030) 10.086 11.937 ( 0.154 -8.026 -4.764) 9.335 12.200 ( 2.434 5.278 -7.375) 9.390 13.051 ( 9.750 14.876 -11.461) 21.160 13.704 ( -2.087 -1.059 4.551) 5.118 14.325 ( -1.262 0.979 6.109) 6.314 21.096 ( -18.400 -33.741 29.214) 48.275 23.026 ( -7.858 19.809 13.552) 25.255 23.869 ( 5.573 -12.445 -14.481) 19.891 24.989 ( 4.263 3.246 -5.964) 8.018 ======================= Grid point 468 (228/433) ======================= q-point: (-0.42 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 6.327 11.129 -1.251) 12.863 3.095 ( 7.159 -24.946 -11.497) 28.385 3.484 ( 12.767 27.769 -17.893) 35.416 4.700 ( -0.739 -2.245 -2.470) 3.419 4.971 ( -6.585 7.612 6.686) 12.084 5.514 ( -3.989 -6.865 9.008) 12.007 5.858 ( -11.563 0.640 -10.775) 15.818 5.976 ( 10.069 7.245 8.060) 14.793 6.994 ( 5.846 -8.300 -8.510) 13.247 7.130 ( 6.104 16.303 -2.596) 17.600 8.006 ( -6.088 -17.301 1.529) 18.404 8.389 ( -3.608 3.155 3.750) 6.086 8.932 ( -2.405 -3.910 12.586) 13.397 10.034 ( -1.799 -0.555 0.950) 2.109 11.362 ( -4.641 2.202 7.288) 8.917 12.053 ( 1.412 -7.934 -6.808) 10.549 12.096 ( 1.310 4.066 -6.923) 8.135 12.821 ( 5.891 13.678 -8.943) 17.372 13.742 ( -3.133 -1.953 7.512) 8.370 14.311 ( -4.378 2.557 9.031) 10.357 21.664 ( -17.504 -34.078 26.069) 46.339 22.619 ( -10.347 27.720 19.571) 35.475 24.092 ( 9.207 -14.008 -15.084) 22.551 24.936 ( 6.569 3.103 -11.771) 13.832 ======================= Grid point 469 (229/433) ======================= q-point: (-0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 17.148 11.253 10.469) 23.028 2.973 ( 12.489 31.573 -15.765) 37.435 3.587 ( 8.808 -29.639 -18.282) 35.921 4.746 ( -2.089 -2.803 1.417) 3.772 4.836 ( -5.235 2.443 4.202) 7.143 5.552 ( -9.404 0.141 -0.257) 9.409 5.808 ( 1.317 -6.706 -0.614) 6.861 5.976 ( 8.097 8.699 11.279) 16.384 6.865 ( 6.208 18.569 -0.899) 19.600 7.129 ( 5.218 -5.780 -10.016) 12.687 8.213 ( -4.117 -6.823 8.891) 11.940 8.363 ( -1.933 -4.096 -1.789) 4.870 9.016 ( -3.644 -1.866 9.844) 10.661 10.007 ( -8.556 -1.853 -1.728) 8.923 11.341 ( -0.624 1.849 8.241) 8.469 12.000 ( -0.635 2.643 -5.751) 6.361 12.167 ( 3.779 -6.952 -8.827) 11.855 12.605 ( 3.137 11.648 -5.976) 13.462 13.783 ( -3.182 -0.637 9.110) 9.671 14.261 ( -6.781 3.019 9.809) 12.301 22.061 ( -13.611 17.051 22.670) 31.463 22.270 ( -13.864 -16.562 23.065) 31.599 24.323 ( 9.653 -11.534 -12.351) 19.461 24.875 ( 8.090 2.577 -17.610) 19.550 ======================= Grid point 470 (230/433) ======================= q-point: (-0.25 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 20.405 11.973 16.620) 28.913 2.495 ( 13.017 26.911 -3.705) 30.122 4.028 ( 3.242 -24.855 -16.793) 30.171 4.688 ( -1.938 3.289 1.200) 4.002 4.947 ( -1.252 -12.724 2.173) 12.968 5.446 ( -6.285 -0.251 -5.081) 8.086 5.891 ( 4.095 10.604 15.605) 19.306 6.066 ( 7.421 -9.248 4.089) 12.543 6.599 ( 7.061 19.119 0.378) 20.385 7.188 ( 4.205 -2.042 -8.455) 9.662 8.257 ( 1.066 2.539 8.328) 8.772 8.453 ( -3.964 -7.053 -1.367) 8.206 9.044 ( -5.506 -2.019 5.549) 8.074 9.922 ( -13.705 -2.240 -4.583) 14.623 11.389 ( 4.549 -0.057 8.265) 9.434 11.937 ( -0.733 0.722 -3.455) 3.605 12.251 ( 5.067 -2.967 -9.364) 11.052 12.427 ( 0.743 7.497 -3.318) 8.232 13.794 ( -2.672 2.464 9.286) 9.972 14.206 ( -6.875 1.503 8.319) 10.896 21.552 ( -13.351 33.981 26.127) 44.896 22.708 ( -12.682 -25.742 18.353) 34.063 24.513 ( 8.432 -7.798 -9.291) 14.772 24.808 ( 7.435 0.731 -21.552) 22.810 ======================= Grid point 471 (231/433) ======================= q-point: (-0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 3.205 19.443 7.643) 21.135 2.584 ( 25.474 5.017 26.662) 37.215 4.243 ( -5.924 -8.828 -4.306) 11.470 4.660 ( 0.541 -1.111 -4.933) 5.086 5.219 ( -1.197 -19.118 -2.150) 19.276 5.431 ( 3.344 -3.048 -4.548) 6.416 5.785 ( -1.902 12.619 17.696) 21.818 6.203 ( 4.500 9.933 -1.853) 11.061 6.486 ( 10.872 -1.661 6.767) 12.913 7.198 ( 4.664 -0.247 -6.387) 7.913 8.274 ( 4.027 3.435 7.324) 9.037 8.467 ( -5.244 -1.092 -1.771) 5.642 9.063 ( -6.754 -4.602 2.129) 8.445 9.786 ( -15.890 -1.462 -6.983) 17.418 11.495 ( 6.692 -0.518 5.475) 8.662 11.944 ( 3.632 -1.435 1.555) 4.203 12.195 ( 1.235 6.827 -3.572) 7.803 12.393 ( 3.858 -2.843 -7.290) 8.724 13.754 ( -2.722 4.371 7.951) 9.473 14.186 ( -3.364 -0.393 5.018) 6.054 20.998 ( -15.108 33.382 29.235) 46.875 23.056 ( -6.948 -15.690 10.388) 20.059 24.614 ( 3.495 -3.532 -11.466) 12.496 24.783 ( 4.774 -4.407 -15.084) 16.423 ======================= Grid point 472 (232/433) ======================= q-point: (-0.08 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -5.388 0.014 27.035) 27.566 2.910 ( 23.829 1.575 27.717) 36.586 4.235 ( -7.693 1.895 7.759) 11.089 4.638 ( 0.098 0.327 -8.507) 8.514 5.397 ( -6.078 4.296 7.091) 10.280 5.505 ( -2.100 -6.402 -0.646) 6.769 5.747 ( 3.186 -7.833 -2.473) 8.811 5.990 ( 6.357 16.373 3.178) 17.849 6.683 ( 3.014 -5.975 1.952) 6.971 7.266 ( 10.288 -4.337 -4.600) 12.075 8.259 ( 1.012 6.421 6.023) 8.862 8.426 ( -3.485 -1.679 -2.920) 4.847 9.101 ( -6.329 -5.601 2.014) 8.688 9.617 ( -14.253 -0.088 -7.359) 16.040 11.527 ( -0.545 4.055 4.090) 5.785 12.000 ( 3.266 5.244 0.621) 6.208 12.186 ( 10.355 -6.553 1.458) 12.341 12.451 ( 9.110 -2.486 -9.491) 13.389 13.703 ( -2.016 2.951 5.420) 6.492 14.208 ( 1.765 -1.117 0.456) 2.138 20.483 ( -16.987 29.243 31.910) 46.497 23.199 ( 1.974 -1.136 -3.022) 3.784 24.615 ( -8.273 -7.758 -9.447) 14.761 24.855 ( 2.983 -4.600 -4.158) 6.881 ======================= Grid point 476 (233/433) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( -22.802 -0.000 -11.999) 25.766 3.440 ( -14.076 -0.000 25.151) 28.821 3.764 ( -16.238 -0.000 38.257) 41.560 4.221 ( 5.053 0.000 6.003) 7.847 5.198 ( 6.563 0.000 0.407) 6.575 5.421 ( -3.039 -0.000 5.839) 6.582 5.639 ( 7.267 0.000 -10.724) 12.954 6.230 ( 1.134 0.000 -0.385) 1.198 6.523 ( -5.016 -0.000 -13.616) 14.511 7.527 ( -4.445 -0.000 -15.687) 16.305 8.011 ( 5.080 0.000 1.291) 5.241 8.314 ( -3.020 -0.000 12.321) 12.686 8.690 ( -10.728 -0.000 0.181) 10.729 10.138 ( 14.212 0.000 3.302) 14.591 11.049 ( -13.259 -0.000 13.052) 18.606 11.723 ( -1.832 -0.000 -1.596) 2.430 12.502 ( 6.371 0.000 -13.386) 14.825 13.523 ( 21.933 0.000 -14.302) 26.184 13.788 ( 1.498 0.000 1.661) 2.236 14.334 ( 9.419 0.000 -20.367) 22.439 19.721 ( -20.541 -0.000 35.557) 41.064 22.837 ( 10.089 0.000 -19.014) 21.525 24.235 ( -19.456 -0.000 12.894) 23.341 25.097 ( -1.334 -0.000 6.898) 7.026 ======================= Grid point 477 (234/433) ======================= q-point: ( 0.33 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -16.682 2.927 -15.329) 22.844 3.148 ( -16.426 24.377 33.245) 44.376 4.169 ( -9.369 -22.900 29.921) 38.826 4.312 ( -1.482 -5.747 4.198) 7.269 5.099 ( 3.275 11.413 2.195) 12.074 5.554 ( 6.193 0.059 -4.670) 7.757 5.678 ( 3.835 -9.979 -6.443) 12.482 6.186 ( -4.772 -0.270 -7.956) 9.281 6.438 ( 0.501 1.117 -4.633) 4.792 7.403 ( -8.107 -2.901 -15.875) 18.060 7.999 ( 7.690 9.301 3.122) 12.465 8.410 ( -2.657 -5.385 11.898) 13.327 8.606 ( -8.116 0.351 2.748) 8.576 10.220 ( 10.674 4.619 -0.095) 11.631 11.064 ( -13.110 -7.346 12.829) 19.759 11.719 ( -0.974 -1.674 -0.602) 2.028 12.462 ( 6.371 2.783 -13.391) 15.089 13.578 ( 17.314 5.029 -15.493) 23.771 13.796 ( 1.830 1.796 -0.374) 2.591 14.305 ( 8.024 0.708 -14.270) 16.386 19.827 ( -20.610 -11.682 35.091) 42.339 22.897 ( 10.027 -8.032 -19.017) 22.950 24.091 ( -16.241 6.094 13.790) 22.160 25.106 ( -1.781 1.197 5.540) 5.942 ======================= Grid point 478 (235/433) ======================= q-point: ( 0.42 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -5.439 3.397 -7.535) 9.894 2.808 ( -13.141 17.823 26.789) 34.756 4.297 ( 6.472 4.052 -6.650) 10.126 4.666 ( -18.651 -24.906 26.838) 41.090 4.955 ( 4.549 10.023 -0.426) 11.015 5.474 ( 6.289 9.069 -4.424) 11.890 5.885 ( -2.790 -12.591 -5.060) 13.854 6.094 ( -2.629 0.719 -10.493) 10.842 6.458 ( 4.310 -3.341 -0.907) 5.528 7.335 ( -7.658 -7.889 -12.978) 17.009 7.888 ( 7.613 13.721 3.223) 16.019 8.503 ( -6.820 -1.609 7.332) 10.142 8.609 ( -1.595 -4.225 9.692) 10.693 10.190 ( 5.913 6.358 -2.727) 9.101 11.176 ( -11.489 -10.352 11.291) 19.148 11.751 ( -0.520 -2.941 -0.048) 2.987 12.383 ( 5.521 4.704 -12.092) 14.101 13.499 ( 12.774 9.906 -17.528) 23.844 13.758 ( 1.751 3.458 -0.327) 3.890 14.316 ( 5.262 -0.653 -5.020) 7.302 20.116 ( -20.367 -21.830 33.742) 45.054 23.062 ( 9.334 -11.686 -17.347) 22.904 23.896 ( -12.006 9.733 13.351) 20.423 25.085 ( -1.154 2.215 2.392) 3.458 ======================= Grid point 479 (236/433) ======================= q-point: ( 0.50 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 9.906 7.362 -3.217) 12.754 2.637 ( -9.099 2.395 17.526) 19.892 4.181 ( 6.267 10.728 -11.185) 16.717 4.775 ( 0.298 4.834 -9.576) 10.731 5.023 ( -9.746 -9.979 21.706) 25.801 5.372 ( 0.093 4.784 4.404) 6.503 5.883 ( -14.361 -0.952 -8.319) 16.624 6.078 ( 8.425 -1.493 -5.595) 10.223 6.617 ( 6.236 -9.953 -3.633) 12.295 7.410 ( -4.630 -14.448 -8.863) 17.571 7.717 ( 7.318 16.250 3.878) 18.239 8.476 ( -6.283 1.082 6.747) 9.283 8.754 ( -1.338 -5.979 11.834) 13.326 10.103 ( 0.696 4.682 -4.395) 6.459 11.299 ( -8.641 -7.606 9.609) 14.995 11.809 ( -0.141 -4.745 -0.814) 4.816 12.274 ( 3.670 5.725 -10.348) 12.383 13.297 ( 8.480 13.384 -17.016) 23.251 13.731 ( 1.169 1.882 2.713) 3.503 14.348 ( 1.386 -0.300 0.901) 1.680 20.548 ( -19.883 -29.228 31.580) 47.402 23.201 ( 2.826 -1.556 -5.269) 6.178 23.746 ( -2.139 2.410 3.729) 4.929 25.039 ( 0.405 2.794 -2.080) 3.507 ======================= Grid point 480 (237/433) ======================= q-point: (-0.42 -0.75 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 17.249 10.014 6.047) 20.841 2.754 ( 0.809 -13.576 -0.466) 13.608 3.926 ( 11.188 20.085 -15.364) 27.652 4.662 ( -0.388 1.652 -7.698) 7.883 5.055 ( -7.906 5.062 8.706) 12.803 5.436 ( -2.653 -6.153 14.170) 15.674 5.686 ( -13.442 0.527 -12.100) 18.093 6.159 ( 7.189 0.254 2.921) 7.764 6.826 ( 6.205 -10.570 -6.874) 14.053 7.469 ( 7.223 12.301 -8.698) 16.707 7.676 ( -1.615 -12.833 7.914) 15.163 8.432 ( -4.838 2.468 6.757) 8.669 8.898 ( -2.593 -5.334 11.473) 12.915 10.001 ( -4.994 1.972 -5.652) 7.796 11.371 ( -4.914 -2.273 9.189) 10.666 11.902 ( 0.783 -7.023 -3.089) 7.712 12.147 ( 1.399 5.601 -8.965) 10.663 13.041 ( 5.354 13.676 -14.201) 20.430 13.744 ( -0.545 -0.246 6.127) 6.156 14.349 ( -2.663 1.388 4.664) 5.547 21.070 ( -19.084 -33.260 28.829) 47.974 23.037 ( -7.151 18.867 13.524) 24.289 23.871 ( 10.087 -12.447 -11.335) 19.625 24.977 ( 2.443 3.055 -7.448) 8.413 ======================= Grid point 482 (238/433) ======================= q-point: (-0.33 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 22.325 9.885 11.877) 27.151 3.073 ( 5.169 -23.487 -12.230) 26.980 3.548 ( 15.198 27.388 -16.824) 35.554 4.639 ( -2.358 -4.041 -4.454) 6.460 4.910 ( -6.249 7.041 5.035) 10.676 5.446 ( -12.368 0.835 -5.071) 13.393 5.688 ( 1.820 -9.815 6.752) 12.052 6.216 ( 4.742 3.762 9.388) 11.170 6.999 ( 5.391 -8.334 -8.725) 13.215 7.241 ( 8.837 17.583 -4.084) 20.098 7.970 ( -1.333 -16.398 6.419) 17.660 8.384 ( -2.880 2.740 5.644) 6.903 9.002 ( -3.859 -3.115 10.142) 11.290 9.876 ( -11.000 0.339 -6.865) 12.971 11.408 ( -0.485 0.276 9.814) 9.830 11.996 ( -0.897 -0.812 -5.480) 5.612 12.043 ( 2.593 -2.818 -8.084) 8.945 12.789 ( 3.185 12.159 -11.089) 16.762 13.792 ( -1.826 -1.509 9.293) 9.590 14.301 ( -6.200 3.143 6.893) 9.790 21.624 ( -17.773 -33.689 25.767) 45.987 22.653 ( -9.670 27.005 19.887) 34.904 24.140 ( 12.776 -13.512 -12.915) 22.640 24.898 ( 4.300 3.328 -13.296) 14.365 ======================= Grid point 483 (239/433) ======================= q-point: (-0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 21.205 9.960 15.440) 28.057 3.077 ( 16.149 28.649 -11.546) 34.855 3.514 ( 5.878 -26.479 -18.310) 32.725 4.667 ( -5.049 -3.673 -5.480) 8.308 4.820 ( -1.254 -0.349 4.640) 4.819 5.319 ( -7.969 -2.133 -7.585) 11.206 5.940 ( 4.170 -9.805 9.148) 14.043 6.214 ( 1.536 7.105 14.012) 15.785 6.998 ( 10.462 17.410 -4.490) 20.802 7.114 ( 3.990 -4.390 -7.274) 9.386 8.238 ( -1.892 -11.434 7.863) 14.005 8.359 ( 0.161 1.139 3.163) 3.366 9.036 ( -4.736 0.414 8.165) 9.448 9.716 ( -15.969 -1.027 -7.747) 17.779 11.477 ( 4.039 -0.258 9.733) 10.541 11.915 ( -1.666 1.190 -4.959) 5.365 12.148 ( 4.298 -7.156 -8.426) 11.861 12.568 ( 1.475 10.345 -8.141) 13.247 13.852 ( -1.645 -0.289 11.129) 11.253 14.215 ( -8.525 3.081 7.330) 11.657 22.068 ( -13.124 3.855 23.129) 26.871 22.266 ( -14.030 -3.664 22.964) 27.159 24.397 ( 12.236 -10.505 -11.065) 19.558 24.794 ( 5.182 3.597 -18.847) 19.874 ======================= Grid point 484 (240/433) ======================= q-point: (-0.17 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 10.971 28.257 -4.742) 30.681 3.023 ( 21.297 5.702 20.110) 29.841 3.882 ( 0.674 -22.411 -15.414) 27.209 4.612 ( -3.094 -0.931 -8.843) 9.415 4.944 ( -0.387 -10.485 2.228) 10.727 5.316 ( 0.226 -6.853 -7.110) 9.878 6.037 ( -6.572 8.257 13.427) 17.078 6.266 ( 4.733 -3.766 10.124) 11.794 6.793 ( 12.882 16.219 -1.430) 20.762 7.163 ( 2.686 -2.985 -7.583) 8.581 8.369 ( 0.689 -0.496 8.638) 8.680 8.398 ( -1.121 -2.891 0.503) 3.142 9.008 ( -4.775 1.413 6.513) 8.199 9.549 ( -17.498 -2.691 -7.892) 19.383 11.572 ( 4.081 -0.039 5.822) 7.110 11.920 ( 2.867 -4.047 0.544) 4.989 12.249 ( 5.971 -3.473 -9.458) 11.712 12.383 ( 0.031 6.344 -5.525) 8.413 13.864 ( -2.218 4.639 10.870) 12.025 14.155 ( -6.914 -1.016 5.977) 9.196 21.601 ( -13.117 34.170 26.677) 45.292 22.675 ( -12.933 -26.583 18.523) 34.885 24.558 ( 7.535 -1.494 -13.704) 15.710 24.697 ( 6.429 -1.802 -16.926) 18.195 ======================= Grid point 485 (241/433) ======================= q-point: (-0.08 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 4.970 17.649 8.249) 20.106 3.261 ( 16.742 1.206 21.023) 26.902 4.096 ( -3.840 -11.861 -6.631) 14.121 4.566 ( -0.510 -2.214 -11.946) 12.160 5.148 ( -2.649 -13.695 -1.073) 13.990 5.466 ( 7.647 -9.738 -7.852) 14.662 5.811 ( -13.543 14.263 14.302) 24.318 6.335 ( 5.462 8.429 6.302) 11.857 6.704 ( 7.114 5.204 0.124) 8.816 7.222 ( 5.184 -5.584 -6.148) 9.790 8.346 ( -5.674 4.667 -1.445) 7.488 8.432 ( 2.675 0.387 7.221) 7.710 9.005 ( -4.624 -1.757 6.011) 7.785 9.418 ( -12.477 -3.508 -6.053) 14.305 11.588 ( -1.604 1.978 2.916) 3.872 12.093 ( 6.912 -3.167 0.661) 7.632 12.173 ( 1.506 3.012 -2.412) 4.142 12.423 ( 10.885 -6.445 -8.331) 15.147 13.789 ( -3.617 5.815 8.072) 10.586 14.183 ( -1.670 -2.990 3.405) 4.829 21.043 ( -15.315 33.781 29.631) 47.473 23.044 ( -7.240 -17.097 11.119) 21.642 24.437 ( -1.631 2.546 -19.792) 20.021 24.799 ( 7.175 -5.338 -5.416) 10.455 ======================= Grid point 490 (242/433) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -2.046 -0.000 -12.020) 12.193 3.574 ( -16.699 -0.000 38.546) 42.007 3.781 ( -26.229 -0.000 36.783) 45.177 4.350 ( 8.150 0.000 -4.905) 9.512 5.335 ( 4.669 0.000 3.804) 6.023 5.377 ( -4.788 -0.000 -0.654) 4.832 5.723 ( 14.375 0.000 -11.093) 18.158 6.037 ( -7.768 -0.000 -15.517) 17.353 6.459 ( 2.564 0.000 -0.266) 2.577 7.216 ( -8.023 -0.000 -15.877) 17.789 8.193 ( 10.032 0.000 2.817) 10.420 8.391 ( -3.976 -0.000 13.152) 13.740 8.560 ( -6.386 -0.000 4.618) 7.881 10.325 ( 6.229 0.000 -5.080) 8.037 10.948 ( -13.835 -0.000 14.242) 19.856 11.701 ( -0.013 -0.000 0.856) 0.856 12.470 ( 7.018 0.000 -14.855) 16.430 13.670 ( 13.958 0.000 -19.380) 23.884 13.825 ( 0.860 0.000 1.176) 1.457 14.317 ( 10.937 0.000 -15.005) 18.568 19.730 ( -21.069 -0.000 35.407) 41.201 22.815 ( 10.251 0.000 -18.929) 21.526 24.084 ( -13.979 -0.000 15.274) 20.705 25.125 ( -3.197 -0.000 5.784) 6.609 ======================= Grid point 491 (243/433) ======================= q-point: ( 0.42 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 12.592 2.804 -1.278) 12.963 3.201 ( -20.685 25.210 35.273) 48.038 4.155 ( -22.813 -25.450 26.618) 43.321 4.382 ( 5.282 -1.178 -3.409) 6.396 5.155 ( -0.246 9.947 2.008) 10.151 5.585 ( -5.414 -13.678 -2.272) 14.885 5.673 ( 8.513 10.042 -8.716) 15.789 5.977 ( 1.756 -5.187 -14.583) 15.578 6.480 ( 3.802 0.113 0.288) 3.814 7.099 ( -5.570 -3.936 -14.038) 15.607 8.186 ( 7.168 10.291 4.524) 13.333 8.462 ( -5.142 -2.218 9.304) 10.860 8.577 ( -1.373 -3.481 8.783) 9.547 10.282 ( 1.098 4.001 -8.933) 9.850 10.971 ( -12.885 -7.629 13.901) 20.432 11.723 ( 0.503 -1.111 2.095) 2.424 12.429 ( 6.868 2.673 -14.700) 16.444 13.626 ( 10.253 5.014 -20.780) 23.708 13.821 ( 1.133 1.914 0.290) 2.243 14.342 ( 10.345 0.468 -10.556) 14.787 19.828 ( -21.149 -11.523 34.840) 42.354 22.877 ( 10.435 -7.969 -18.748) 22.889 24.008 ( -10.991 5.567 16.429) 20.536 25.111 ( -3.458 1.205 4.085) 5.486 ======================= Grid point 492 (244/433) ======================= q-point: (-0.50 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -6.017 11.310 20.530) 24.199 2.902 ( 10.590 11.463 13.231) 20.460 4.251 ( -2.788 0.785 -5.970) 6.635 4.578 ( -13.124 -15.598 9.109) 22.327 5.063 ( 0.825 3.542 10.322) 10.944 5.476 ( -3.609 6.210 -7.150) 10.134 5.695 ( -7.424 -2.299 -1.417) 7.900 6.024 ( 7.909 -5.095 -14.131) 16.977 6.559 ( 6.255 -3.956 0.841) 7.448 7.119 ( -1.163 -10.154 -10.434) 14.606 8.068 ( 6.676 13.719 5.611) 16.256 8.470 ( -5.629 -0.070 8.107) 9.870 8.707 ( -0.455 -5.149 10.179) 11.416 10.135 ( -3.395 5.014 -10.979) 12.538 11.103 ( -10.358 -11.224 12.209) 19.553 11.765 ( 0.554 -1.647 2.581) 3.111 12.344 ( 5.480 5.040 -13.422) 15.349 13.467 ( 7.623 9.791 -20.326) 23.814 13.796 ( 1.394 2.515 0.889) 3.009 14.365 ( 5.765 0.458 -5.530) 8.002 20.105 ( -20.924 -21.455 33.393) 44.869 23.050 ( 9.890 -11.854 -16.902) 22.891 23.887 ( -6.747 8.943 16.256) 19.742 25.068 ( -2.562 2.126 0.794) 3.423 ======================= Grid point 493 (245/433) ======================= q-point: (-0.42 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -13.297 1.847 14.489) 19.752 3.004 ( 27.048 9.798 9.070) 30.164 4.147 ( 2.738 6.090 -9.506) 11.617 4.614 ( -5.816 -1.435 -8.833) 10.672 5.128 ( -3.242 3.008 14.560) 15.217 5.377 ( -5.888 -5.285 3.815) 8.784 5.546 ( -11.072 5.316 -4.763) 13.173 6.139 ( 6.341 -6.945 -8.102) 12.413 6.720 ( 6.890 -6.779 0.026) 9.665 7.287 ( 1.705 -13.855 -9.253) 16.748 7.928 ( 8.290 14.307 9.194) 18.920 8.457 ( -4.856 1.147 7.629) 9.116 8.835 ( -2.844 -5.273 9.384) 11.134 9.950 ( -6.901 3.729 -11.307) 13.762 11.271 ( -6.468 -9.698 10.527) 15.707 11.820 ( 0.815 -2.899 1.645) 3.431 12.214 ( 2.973 6.574 -11.755) 13.793 13.226 ( 5.351 12.666 -18.295) 22.886 13.781 ( 0.225 1.244 3.338) 3.569 14.365 ( 0.328 0.842 -1.012) 1.357 20.523 ( -20.331 -28.738 31.189) 47.032 23.196 ( 2.871 -1.995 -5.180) 6.249 23.817 ( 3.543 2.037 6.770) 7.908 25.003 ( -0.853 2.749 -3.635) 4.637 ======================= Grid point 494 (246/433) ======================= q-point: (-0.33 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -5.355 -12.884 -1.451) 14.028 3.126 ( 23.552 9.532 10.958) 27.670 3.976 ( 10.951 15.366 -12.227) 22.484 4.524 ( -3.828 -1.142 -10.596) 11.324 5.014 ( -5.329 8.282 5.593) 11.325 5.313 ( -11.867 2.278 -9.907) 15.625 5.584 ( -1.009 -10.649 16.665) 19.803 6.262 ( 2.757 -5.014 -0.938) 5.798 6.890 ( 6.158 -6.425 -2.228) 9.174 7.407 ( 1.623 -2.412 -12.728) 13.056 7.919 ( 9.883 2.493 16.439) 19.342 8.427 ( -3.462 2.081 5.871) 7.126 8.934 ( -5.772 -5.307 8.113) 11.283 9.761 ( -9.459 2.884 -10.314) 14.289 11.418 ( -1.689 -5.438 10.098) 11.593 11.900 ( 1.486 -5.037 -0.977) 5.342 12.057 ( 0.292 6.088 -10.135) 11.826 12.955 ( 3.243 12.442 -15.540) 20.169 13.801 ( -1.447 -1.030 7.198) 7.414 14.327 ( -4.167 2.303 2.621) 5.435 21.032 ( -19.216 -32.874 28.482) 47.552 23.057 ( -6.404 17.116 12.657) 22.230 23.987 ( 14.165 -10.614 -8.170) 19.495 24.919 ( 1.100 3.375 -8.784) 9.474 ======================= Grid point 495 (247/433) ======================= q-point: (-0.25 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 1.527 -20.369 -10.532) 22.982 3.230 ( 14.445 5.664 8.907) 17.890 3.682 ( 17.597 25.116 -12.806) 33.233 4.484 ( -5.016 -5.193 -11.121) 13.259 4.884 ( -2.068 4.995 5.208) 7.507 5.164 ( -8.471 -1.830 -7.660) 11.567 5.858 ( 1.668 -10.479 13.905) 17.491 6.332 ( -0.781 -0.487 5.101) 5.183 7.012 ( 4.394 -4.382 -5.223) 8.111 7.297 ( 3.925 8.553 -9.311) 13.238 8.141 ( 5.626 -6.575 15.599) 17.839 8.400 ( -0.129 1.569 3.447) 3.789 8.995 ( -7.952 -4.322 7.008) 11.447 9.563 ( -10.758 3.628 -8.243) 14.031 11.542 ( 2.301 -2.534 9.671) 10.259 11.908 ( -1.027 3.254 -5.575) 6.536 12.018 ( 2.879 -6.789 -6.112) 9.578 12.705 ( 1.809 10.643 -12.550) 16.554 13.867 ( -2.163 -2.807 10.696) 11.268 14.238 ( -7.532 4.164 4.909) 9.908 21.582 ( -17.459 -33.713 25.556) 45.765 22.696 ( -9.615 26.400 19.828) 34.388 24.270 ( 15.832 -11.652 -11.560) 22.805 24.809 ( 2.712 4.362 -14.185) 15.086 ======================= Grid point 496 (248/433) ======================= q-point: (-0.17 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 9.780 19.661 -3.896) 22.302 3.249 ( 7.133 -10.258 -12.131) 17.414 3.522 ( 9.666 -1.433 -0.666) 9.795 4.460 ( -3.179 -4.263 -13.013) 14.058 4.888 ( 1.707 -1.389 6.058) 6.445 5.150 ( -2.013 -7.087 -6.151) 9.597 6.068 ( -3.224 -4.059 10.141) 11.389 6.337 ( -1.283 1.073 9.343) 9.492 7.051 ( 3.566 0.234 -9.040) 9.720 7.143 ( 4.515 7.700 -5.512) 10.491 8.342 ( -2.021 -5.531 11.773) 13.164 8.422 ( 5.357 1.295 2.691) 6.133 9.009 ( -8.920 -2.083 6.243) 11.086 9.370 ( -8.769 3.340 -4.360) 10.347 11.618 ( -0.639 0.102 3.584) 3.641 11.899 ( 4.942 -2.917 2.267) 6.170 12.139 ( 4.894 -7.936 -8.270) 12.463 12.488 ( 0.704 9.166 -9.703) 13.367 13.958 ( -1.218 -0.894 12.676) 12.766 14.115 ( -9.716 3.059 5.125) 11.403 22.083 ( -13.037 -12.535 23.192) 29.410 22.261 ( -14.098 12.352 23.036) 29.698 24.515 ( 13.313 -7.229 -11.259) 18.875 24.668 ( 4.144 4.215 -18.396) 19.322 ======================= Grid point 497 (249/433) ======================= q-point: (-0.08 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 10.716 26.888 -5.047) 29.382 3.426 ( 3.170 -3.778 5.513) 7.397 3.730 ( -1.256 -19.327 -13.435) 23.572 4.452 ( 2.905 -3.029 -10.360) 11.178 4.987 ( 0.524 -5.500 2.801) 6.195 5.303 ( 5.571 -11.654 -4.110) 13.555 5.971 ( -12.707 10.308 8.371) 18.379 6.419 ( -0.818 -2.632 9.611) 9.998 6.942 ( 7.938 11.267 -7.869) 15.871 7.119 ( 1.128 -4.737 -6.362) 8.011 8.395 ( -1.465 5.727 -0.898) 5.979 8.454 ( -1.475 -3.061 9.135) 9.747 8.968 ( -11.702 -0.685 3.569) 12.254 9.298 ( 1.660 -0.222 3.831) 4.181 11.593 ( -4.383 0.434 1.235) 4.574 12.067 ( 6.800 -5.835 2.829) 9.396 12.260 ( 4.393 3.909 -8.749) 10.542 12.348 ( 6.800 -5.534 -5.662) 10.437 13.910 ( -5.972 7.593 8.654) 12.969 14.120 ( -3.339 -4.893 7.079) 9.231 21.650 ( -13.694 34.562 26.944) 45.914 22.642 ( -12.880 -27.618 18.704) 35.756 24.431 ( 2.807 8.110 -21.245) 22.913 24.740 ( 10.461 -6.520 -8.468) 14.955 ======================= Grid point 503 (250/433) ======================= q-point: (-0.58 -0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 26.501 0.000 6.331) 27.247 3.628 ( -21.339 -0.000 34.544) 40.604 3.643 ( -28.873 -0.000 31.306) 42.588 4.377 ( 1.599 0.000 -8.841) 8.985 5.237 ( -7.600 -0.000 -3.852) 8.520 5.388 ( -4.780 -0.000 2.787) 5.533 5.788 ( -0.560 -0.000 -11.048) 11.062 5.895 ( 15.769 0.000 -9.659) 18.492 6.512 ( 4.162 0.000 -1.541) 4.438 6.955 ( -1.938 -0.000 -12.721) 12.868 8.365 ( 3.834 0.000 2.551) 4.605 8.442 ( -6.305 -0.000 12.531) 14.027 8.594 ( 3.459 0.000 8.944) 9.589 10.241 ( -3.920 -0.000 -13.485) 14.043 10.864 ( -12.728 -0.000 14.993) 19.667 11.739 ( 1.250 0.000 3.794) 3.995 12.436 ( 7.647 0.000 -15.829) 17.580 13.634 ( 8.165 0.000 -21.864) 23.339 13.843 ( 0.011 0.000 0.567) 0.567 14.392 ( 12.868 0.000 -13.566) 18.698 19.726 ( -21.509 -0.000 35.093) 41.160 22.800 ( 10.687 0.000 -18.652) 21.497 24.059 ( -8.811 -0.000 18.197) 20.218 25.107 ( -4.603 -0.000 3.977) 6.083 ======================= Grid point 504 (251/433) ======================= q-point: (-0.50 -0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -14.889 21.391 28.293) 38.468 3.288 ( 21.154 7.276 13.426) 26.091 3.999 ( -21.862 -21.365 20.947) 37.057 4.328 ( -5.817 -3.455 -7.843) 10.358 5.125 ( -5.889 0.978 2.065) 6.317 5.359 ( -9.671 -1.625 -6.121) 11.560 5.733 ( 1.952 2.932 0.113) 3.524 5.976 ( 11.581 -0.477 -12.747) 17.229 6.564 ( 6.225 -2.297 -1.503) 6.803 6.942 ( 3.613 -5.202 -9.887) 11.741 8.328 ( 1.116 7.504 6.967) 10.300 8.458 ( -5.925 -0.900 8.921) 10.747 8.713 ( 5.092 -1.697 8.909) 10.401 10.080 ( -7.362 2.760 -15.607) 17.475 10.906 ( -10.991 -7.941 14.278) 19.691 11.779 ( 1.324 -0.333 4.887) 5.074 12.393 ( 7.213 3.073 -15.482) 17.354 13.542 ( 6.663 4.826 -21.490) 23.011 13.835 ( -0.024 1.012 0.238) 1.040 14.410 ( 9.956 1.773 -12.938) 16.421 19.817 ( -21.532 -11.281 34.460) 42.171 22.870 ( 11.070 -8.177 -18.298) 22.896 24.050 ( -5.910 5.099 19.608) 21.104 25.072 ( -4.467 1.122 2.183) 5.097 ======================= Grid point 505 (252/433) ======================= q-point: (-0.42 -0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -23.264 15.395 25.788) 37.990 3.471 ( 26.789 9.382 8.427) 29.609 4.105 ( -7.972 -3.424 -2.807) 9.119 4.379 ( -11.957 -12.675 0.112) 17.426 5.161 ( -7.847 -8.409 6.941) 13.433 5.227 ( -6.975 3.091 -1.530) 7.782 5.635 ( -2.684 9.961 2.109) 10.529 6.034 ( 9.432 -4.513 -13.416) 17.009 6.688 ( 6.565 -5.247 0.623) 8.427 7.078 ( 7.469 -9.493 -8.311) 14.662 8.238 ( 0.388 8.966 10.424) 13.755 8.468 ( -3.032 -0.011 7.208) 7.819 8.810 ( 1.532 -0.748 7.435) 7.628 9.870 ( -8.263 3.102 -14.869) 17.292 11.070 ( -7.789 -12.316 12.380) 19.121 11.824 ( 1.224 -0.376 5.093) 5.252 12.290 ( 5.267 6.181 -14.191) 16.351 13.357 ( 5.134 9.535 -21.071) 23.691 13.815 ( -0.398 1.300 1.067) 1.728 14.380 ( 3.827 1.803 -8.596) 9.581 20.083 ( -21.206 -21.032 32.990) 44.501 23.053 ( 10.144 -11.585 -15.984) 22.195 24.006 ( -1.147 7.852 18.649) 20.267 25.013 ( -3.221 2.035 -0.940) 3.924 ======================= Grid point 506 (253/433) ======================= q-point: (-0.33 -0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -17.242 1.185 12.703) 21.449 3.524 ( 12.428 9.681 5.814) 16.792 4.073 ( -1.134 -1.907 -5.783) 6.194 4.432 ( 0.003 -1.761 -7.761) 7.958 5.067 ( -8.986 1.439 -5.094) 10.429 5.290 ( -3.423 5.652 4.064) 7.758 5.499 ( -4.398 -4.217 14.936) 16.131 6.143 ( 5.222 -7.290 -9.706) 13.215 6.851 ( 6.228 -5.786 1.545) 8.640 7.246 ( 4.748 -7.743 -10.607) 13.965 8.171 ( -2.015 5.175 13.990) 15.052 8.484 ( 3.940 2.634 6.068) 7.700 8.851 ( -3.778 -1.445 5.555) 6.872 9.680 ( -6.635 2.620 -11.168) 13.252 11.293 ( -3.520 -12.194 10.206) 16.286 11.873 ( 1.467 -1.095 3.890) 4.299 12.128 ( 2.147 8.070 -12.272) 14.843 13.095 ( 2.998 11.824 -19.766) 23.227 13.808 ( -1.657 -0.188 4.190) 4.510 14.331 ( -1.658 1.477 -3.014) 3.743 20.490 ( -20.359 -28.342 30.825) 46.561 23.194 ( 2.755 -1.871 -4.599) 5.678 24.015 ( 8.899 2.015 8.276) 12.318 24.934 ( -1.355 2.930 -4.998) 5.950 ======================= Grid point 507 (254/433) ======================= q-point: (-0.25 -0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -8.453 -14.454 -2.873) 16.989 3.457 ( -3.569 5.250 3.024) 7.032 4.067 ( 10.742 6.728 -5.566) 13.843 4.368 ( 5.553 3.831 -13.019) 14.663 4.960 ( -5.729 1.214 0.394) 5.870 5.084 ( -3.661 8.182 -2.217) 9.234 5.755 ( -2.003 -12.291 18.095) 21.966 6.254 ( 0.760 -6.846 -5.188) 8.623 6.989 ( 5.250 -2.784 0.660) 5.980 7.271 ( -1.420 -1.682 -13.567) 13.744 8.181 ( -7.873 -3.032 10.798) 13.703 8.534 ( 14.057 5.534 8.615) 17.391 8.864 ( -8.344 -3.489 5.013) 10.340 9.535 ( -3.443 3.761 -5.656) 7.615 11.512 ( 0.221 -8.542 8.163) 11.818 11.927 ( 0.417 -1.601 -4.223) 4.536 11.955 ( 1.464 4.828 -3.870) 6.359 12.822 ( 1.552 10.606 -16.726) 19.866 13.845 ( -3.114 -2.774 8.165) 9.168 14.260 ( -5.266 2.873 1.560) 6.199 20.994 ( -18.878 -32.704 28.196) 47.127 23.077 ( -5.959 15.303 11.434) 20.011 24.199 ( 17.281 -7.307 -6.315) 19.797 24.832 ( 0.584 4.117 -9.606) 10.467 ======================= Grid point 508 (255/433) ======================= q-point: (-0.17 -0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -1.314 -24.485 -13.656) 28.066 3.322 ( -12.565 2.402 -2.144) 12.971 3.879 ( 16.007 23.535 -11.334) 30.636 4.354 ( 6.776 -2.233 -7.411) 10.287 4.949 ( 0.882 1.927 7.881) 8.161 4.985 ( -3.562 -4.879 -5.118) 7.918 6.003 ( -3.074 -7.716 13.333) 15.708 6.321 ( -1.961 -3.890 -0.727) 4.417 7.012 ( -1.491 1.213 -4.582) 4.968 7.194 ( 0.168 0.028 -11.793) 11.795 8.234 ( -8.466 -7.446 3.973) 11.954 8.621 ( 13.476 7.087 10.722) 18.622 8.867 ( -10.829 -3.624 4.824) 12.396 9.436 ( 1.974 5.250 2.006) 5.957 11.605 ( -3.813 -0.146 0.621) 3.866 11.924 ( 6.556 -4.107 1.917) 7.970 12.012 ( 2.527 -4.958 -3.661) 6.661 12.587 ( 1.081 8.843 -13.371) 16.067 13.931 ( -4.297 -5.142 10.297) 12.285 14.152 ( -6.975 5.334 5.265) 10.238 21.547 ( -16.848 -33.975 25.356) 45.619 22.731 ( -10.059 25.857 19.404) 33.857 24.453 ( 17.583 -8.436 -11.529) 22.655 24.697 ( 2.319 5.714 -14.253) 15.530 ======================= Grid point 509 (256/433) ======================= q-point: (-0.08 -0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -5.386 -3.616 -10.580) 12.410 3.171 ( 0.950 -13.128 -15.203) 20.109 3.544 ( 3.048 15.551 -13.428) 20.771 4.447 ( 9.478 -1.824 -0.195) 9.654 4.948 ( -1.329 -1.305 0.992) 2.110 5.151 ( 5.688 -10.971 2.584) 12.624 6.024 ( -11.047 4.576 6.418) 13.571 6.380 ( -2.644 -4.347 3.661) 6.268 6.945 ( -4.070 -3.495 -9.164) 10.619 7.134 ( 4.636 3.998 -8.637) 10.587 8.321 ( -5.962 -7.908 1.534) 10.022 8.596 ( 3.666 10.704 4.850) 12.310 8.841 ( -11.282 -1.818 6.459) 13.126 9.446 ( 9.594 3.601 10.568) 14.720 11.544 ( -6.447 -0.177 -0.605) 6.478 12.062 ( 4.016 -2.522 0.813) 4.812 12.196 ( 11.429 -12.003 -2.653) 16.785 12.389 ( 0.539 7.851 -10.266) 12.935 13.982 ( -9.921 2.254 3.928) 10.906 14.076 ( -1.738 -1.145 13.472) 13.631 22.093 ( -13.527 -27.906 22.732) 38.451 22.257 ( -13.913 27.375 23.276) 38.533 24.500 ( 3.743 8.394 -17.761) 19.998 24.682 ( 14.077 -6.718 -11.688) 19.491 ======================= Grid point 516 (257/433) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( -29.396 -0.000 29.257) 41.475 3.537 ( -20.416 -0.000 30.007) 36.293 3.658 ( 29.848 0.000 8.907) 31.148 4.164 ( -12.470 -0.000 -13.374) 18.286 5.034 ( -9.909 -0.000 -2.752) 10.284 5.265 ( -5.575 -0.000 -2.897) 6.283 5.761 ( 0.930 0.000 0.915) 1.305 6.039 ( 9.638 0.000 -7.848) 12.429 6.590 ( 8.632 0.000 -4.831) 9.892 6.905 ( 8.586 0.000 -7.633) 11.488 8.408 ( -11.762 -0.000 9.724) 15.261 8.437 ( 0.702 0.000 6.683) 6.720 8.832 ( 10.171 0.000 8.576) 13.304 9.930 ( -9.921 -0.000 -17.412) 20.040 10.818 ( -10.072 -0.000 14.898) 17.984 11.822 ( 1.448 0.000 6.335) 6.498 12.404 ( 8.048 0.000 -16.109) 18.008 13.520 ( 5.670 0.000 -21.811) 22.536 13.839 ( -0.774 -0.000 0.110) 0.782 14.438 ( 10.221 0.000 -18.153) 20.832 19.712 ( -21.757 -0.000 34.678) 40.938 22.799 ( 11.293 0.000 -18.229) 21.444 24.162 ( -3.795 -0.000 21.886) 22.213 25.049 ( -5.158 -0.000 1.982) 5.526 ======================= Grid point 517 (258/433) ======================= q-point: (-0.42 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -28.702 23.630 30.598) 48.150 3.772 ( -11.465 -8.096 13.569) 19.522 3.881 ( -9.800 -2.488 -1.181) 10.180 4.093 ( 9.945 -10.208 0.057) 14.251 4.967 ( -10.273 -3.725 -0.692) 10.950 5.206 ( -3.556 -0.285 -1.020) 3.711 5.754 ( -2.137 3.615 5.110) 6.614 6.046 ( 9.229 2.078 -9.933) 13.717 6.674 ( 9.277 -2.958 -3.894) 10.487 7.007 ( 11.691 -4.830 -6.687) 14.308 8.306 ( -14.974 2.420 7.478) 16.911 8.502 ( 2.362 -0.894 8.923) 9.274 8.939 ( 9.240 3.771 7.629) 12.562 9.737 ( -9.285 0.717 -15.842) 18.376 10.888 ( -7.761 -8.288 14.071) 18.081 11.869 ( 1.098 0.189 6.984) 7.073 12.356 ( 7.327 4.012 -15.545) 17.648 13.405 ( 4.419 4.925 -22.742) 23.685 13.827 ( -1.073 0.521 0.140) 1.200 14.392 ( 5.874 2.135 -17.197) 18.298 19.796 ( -21.667 -11.013 34.050) 41.835 22.881 ( 11.633 -8.465 -17.798) 22.886 24.222 ( -0.677 4.812 22.922) 23.432 25.002 ( -4.593 0.986 0.386) 4.713 ======================= Grid point 518 (259/433) ======================= q-point: (-0.33 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -26.743 15.113 25.067) 39.648 3.595 ( -20.376 2.345 -10.047) 22.839 3.958 ( -5.862 -8.446 6.837) 12.347 4.395 ( 13.670 -6.059 1.775) 15.057 4.928 ( -9.233 -2.802 -2.964) 10.093 5.252 ( -5.062 -7.340 9.569) 13.079 5.632 ( -1.233 11.176 5.334) 12.445 6.067 ( 8.494 -1.779 -11.009) 14.018 6.812 ( 7.724 -5.551 -1.292) 9.599 7.159 ( 9.786 -4.613 -8.436) 13.719 8.146 ( -19.563 0.993 4.496) 20.098 8.615 ( 6.252 -1.300 11.100) 12.806 8.952 ( 6.945 7.393 6.214) 11.896 9.591 ( -5.154 -0.118 -10.569) 11.760 11.092 ( -4.360 -13.223 11.980) 18.368 11.910 ( 0.786 0.395 6.555) 6.614 12.227 ( 4.730 8.055 -14.098) 16.912 13.183 ( 2.218 9.371 -23.775) 25.651 13.809 ( -1.824 0.272 1.718) 2.520 14.312 ( 0.247 1.187 -10.186) 10.258 20.054 ( -21.156 -20.676 32.643) 44.053 23.068 ( 9.938 -10.894 -14.917) 20.975 24.249 ( 4.624 7.216 19.673) 21.459 24.937 ( -3.028 1.992 -2.279) 4.282 ======================= Grid point 519 (260/433) ======================= q-point: (-0.25 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -19.783 0.266 12.621) 23.468 3.310 ( -26.894 -1.495 -11.244) 29.188 4.100 ( 2.604 -6.450 4.438) 8.251 4.520 ( 13.238 4.379 -4.679) 14.708 4.876 ( -5.793 -1.355 -2.028) 6.285 5.281 ( -3.234 10.553 4.378) 11.874 5.607 ( -1.915 -9.807 13.687) 16.946 6.130 ( 4.612 -4.694 -8.770) 10.964 6.973 ( 6.273 -5.964 -0.844) 8.697 7.186 ( 0.671 1.927 -11.803) 11.978 8.006 ( -18.475 -4.719 0.901) 19.089 8.755 ( 2.737 -1.722 9.611) 10.140 8.925 ( 11.023 8.728 9.918) 17.206 9.527 ( -0.329 0.001 -4.577) 4.588 11.361 ( -0.707 -13.500 8.825) 16.144 11.923 ( -0.910 2.417 -0.168) 2.588 12.047 ( 2.400 6.936 -6.393) 9.733 12.902 ( 0.572 9.634 -21.194) 23.287 13.814 ( -3.257 -1.555 5.005) 6.170 14.249 ( -3.397 0.691 -2.843) 4.484 20.456 ( -20.005 -28.124 30.561) 46.099 23.196 ( 2.529 -1.439 -3.955) 4.910 24.308 ( 13.178 3.264 7.466) 15.494 24.852 ( -1.023 3.338 -5.757) 6.733 ======================= Grid point 520 (261/433) ======================= q-point: (-0.17 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -9.314 -16.074 -2.564) 18.753 3.040 ( -29.789 -4.985 -12.760) 32.788 4.246 ( 10.118 1.373 1.183) 10.279 4.453 ( 12.762 11.106 -9.141) 19.229 4.864 ( -2.416 -3.105 -0.535) 3.970 5.082 ( -1.642 9.168 6.571) 11.399 5.876 ( -3.986 -12.482 12.820) 18.331 6.206 ( 0.928 -5.514 -5.083) 7.556 6.988 ( -10.308 5.675 -13.697) 18.058 7.102 ( 4.650 -4.404 -4.126) 7.619 8.001 ( -10.156 -9.529 -0.551) 13.937 8.788 ( -5.856 -0.458 5.875) 8.308 8.964 ( 12.897 9.965 12.119) 20.310 9.543 ( 6.179 0.514 3.455) 7.098 11.557 ( -2.631 -3.098 1.303) 4.269 11.841 ( 0.369 -4.241 -4.935) 6.517 12.035 ( 3.514 0.531 4.132) 5.450 12.657 ( 0.824 7.796 -16.650) 18.403 13.856 ( -5.235 -3.779 7.392) 9.815 14.188 ( -4.986 2.126 3.351) 6.372 20.962 ( -18.223 -32.701 27.996) 46.747 23.088 ( -5.881 14.084 10.440) 18.492 24.460 ( 18.715 -3.084 -6.981) 20.212 24.739 ( 1.063 5.059 -9.725) 11.014 ======================= Grid point 521 (262/433) ======================= q-point: (-0.08 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -1.003 -25.339 -13.096) 28.541 2.805 ( -28.161 -8.489 -15.307) 33.157 4.020 ( 15.999 28.969 -15.577) 36.576 4.500 ( 7.106 -3.520 3.761) 8.776 4.902 ( -0.907 -2.031 -2.118) 3.072 5.095 ( 2.740 -4.875 11.950) 13.194 6.001 ( -8.902 -1.076 5.852) 10.708 6.279 ( -2.264 -4.787 -0.545) 5.323 6.759 ( -10.390 -2.857 -14.537) 18.096 7.159 ( 4.750 -0.408 -6.209) 7.829 8.108 ( -5.226 -10.320 0.669) 11.587 8.748 ( -6.703 2.541 3.195) 7.848 8.911 ( 3.864 10.705 10.040) 15.176 9.652 ( 11.260 1.687 11.275) 16.024 11.479 ( -7.275 1.208 -1.918) 7.620 12.004 ( 3.368 -7.768 -4.980) 9.823 12.133 ( 7.469 -6.067 6.087) 11.387 12.462 ( 1.371 7.107 -13.066) 14.937 13.902 ( -7.944 -3.106 5.710) 10.264 14.139 ( -4.119 1.962 10.397) 11.354 21.522 ( -16.086 -34.178 25.186) 45.401 22.751 ( -10.761 25.417 18.872) 33.436 24.579 ( 4.025 6.478 -13.149) 15.201 24.656 ( 16.586 -4.078 -13.515) 21.780 ======================= Grid point 530 (263/433) ======================= q-point: (-0.42 -0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -29.377 -0.000 30.084) 42.048 3.375 ( -27.520 -0.000 27.560) 38.947 3.635 ( -27.117 -0.000 -15.604) 31.286 4.257 ( 23.894 0.000 -2.241) 23.999 4.870 ( -6.059 -0.000 3.656) 7.076 5.157 ( -1.624 -0.000 -5.097) 5.350 5.797 ( -1.850 -0.000 6.826) 7.072 6.098 ( 5.541 0.000 -4.133) 6.912 6.726 ( 13.641 0.000 -7.470) 15.552 7.043 ( 12.605 0.000 -6.223) 14.058 8.185 ( -21.047 -0.000 2.958) 21.254 8.576 ( 4.124 0.000 11.212) 11.947 9.120 ( 11.012 0.000 8.143) 13.696 9.569 ( -9.133 -0.000 -13.972) 16.692 10.828 ( -6.382 -0.000 14.553) 15.891 11.919 ( 0.427 0.000 7.862) 7.874 12.379 ( 8.305 0.000 -15.631) 17.701 13.353 ( 3.150 0.000 -24.875) 25.074 13.819 ( -1.396 -0.000 -0.024) 1.396 14.353 ( 4.520 0.000 -21.746) 22.210 19.691 ( -21.760 -0.000 34.289) 40.611 22.814 ( 11.825 0.000 -17.808) 21.376 24.400 ( 1.568 0.000 25.355) 25.404 24.968 ( -4.873 -0.000 0.352) 4.885 ======================= Grid point 531 (264/433) ======================= q-point: (-0.33 -0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -30.521 23.906 30.609) 49.396 3.260 ( -33.478 -0.939 -15.632) 36.960 3.653 ( -21.029 -21.840 22.660) 37.851 4.437 ( 12.175 -5.216 -5.325) 14.275 4.861 ( -0.926 1.242 4.718) 4.966 5.145 ( -1.607 -3.339 -2.453) 4.445 5.791 ( -1.981 3.889 9.017) 10.018 6.106 ( 7.248 2.615 -5.822) 9.657 6.824 ( 13.022 -1.375 -6.084) 14.439 7.150 ( 11.444 -3.064 -7.938) 14.261 7.965 ( -25.304 1.081 -0.549) 25.333 8.698 ( 5.317 -1.243 11.755) 12.961 9.199 ( 9.647 6.358 7.517) 13.784 9.464 ( -4.839 -3.119 -8.412) 10.194 10.932 ( -4.076 -8.509 13.656) 16.598 11.960 ( -0.312 0.395 7.752) 7.768 12.322 ( 7.234 5.661 -14.845) 17.457 13.181 ( 0.596 5.192 -28.006) 28.489 13.803 ( -1.834 0.260 0.410) 1.897 14.258 ( 0.604 0.458 -16.914) 16.931 19.772 ( -21.543 -10.780 33.747) 41.463 22.904 ( 11.883 -8.577 -17.386) 22.739 24.523 ( 4.971 5.172 24.573) 25.598 24.920 ( -3.906 0.746 -0.711) 4.040 ======================= Grid point 532 (265/433) ======================= q-point: (-0.25 -0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -28.534 15.234 26.153) 41.596 2.885 ( -36.875 -3.473 -16.231) 40.438 3.935 ( -10.084 -15.961 16.057) 24.784 4.599 ( 6.253 -6.089 -3.710) 9.484 4.846 ( 0.154 2.668 3.822) 4.663 5.222 ( -5.092 -8.375 2.653) 10.154 5.724 ( 2.449 9.412 8.933) 13.205 6.092 ( 5.985 0.476 -9.177) 10.967 6.937 ( 8.856 -2.956 -4.627) 10.420 7.194 ( 3.155 2.793 -10.853) 11.642 7.748 ( -20.295 -4.032 -1.100) 20.721 8.796 ( 0.752 0.611 7.648) 7.709 9.242 ( 13.286 5.764 12.157) 18.908 9.470 ( -0.003 -3.707 -4.103) 5.529 11.170 ( -1.243 -13.521 11.242) 17.628 11.970 ( -1.512 2.772 3.476) 4.696 12.161 ( 3.236 8.910 -10.611) 14.228 12.913 ( -1.453 6.849 -26.245) 27.163 13.789 ( -2.848 -0.473 2.327) 3.708 14.189 ( -2.292 -1.254 -7.597) 8.034 20.026 ( -20.813 -20.461 32.462) 43.653 23.088 ( 9.457 -9.990 -14.010) 19.635 24.587 ( 9.453 8.044 17.164) 21.182 24.863 ( -1.737 2.153 -2.322) 3.612 ======================= Grid point 533 (266/433) ======================= q-point: (-0.17 -0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -20.453 -0.957 14.290) 24.969 2.542 ( -37.241 -6.790 -16.328) 41.226 4.198 ( -0.730 -12.379 10.589) 16.306 4.686 ( 9.545 3.377 -3.244) 10.632 4.833 ( -0.478 0.434 3.854) 3.908 5.241 ( -7.184 4.728 4.583) 9.745 5.721 ( 2.782 -4.463 5.604) 7.685 6.115 ( 1.954 -3.768 -5.652) 7.068 6.893 ( -10.731 7.147 -16.239) 20.735 7.095 ( 3.802 -1.155 -2.767) 4.842 7.765 ( -4.623 -9.421 0.137) 10.495 8.787 ( -3.815 1.706 4.999) 6.516 9.289 ( 8.006 9.421 8.401) 14.948 9.594 ( 9.737 -5.659 5.106) 12.365 11.445 ( 0.322 -11.035 6.026) 12.577 11.804 ( -4.863 6.524 -7.594) 11.130 12.093 ( 1.674 0.855 3.454) 3.933 12.676 ( 0.071 5.364 -19.584) 20.305 13.795 ( -4.585 -1.970 4.516) 6.730 14.166 ( -3.590 -1.229 0.159) 3.798 20.430 ( -19.366 -28.077 30.470) 45.736 23.199 ( 2.209 -0.835 -3.458) 4.187 24.629 ( 14.096 5.614 2.859) 15.440 24.784 ( 1.269 4.501 -5.108) 6.926 ======================= Grid point 534 (267/433) ======================= q-point: (-0.08 -0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -7.949 -18.318 -1.052) 19.997 2.270 ( -33.303 -9.888 -16.011) 38.252 4.437 ( 5.752 -5.159 5.926) 9.737 4.555 ( 10.495 17.962 -10.975) 23.521 4.873 ( 1.663 -1.704 2.626) 3.545 5.137 ( -4.568 1.247 13.810) 14.600 5.875 ( -3.996 -7.591 0.683) 8.605 6.196 ( -0.385 -5.263 2.149) 5.698 6.543 ( -13.717 4.120 -19.434) 24.141 7.154 ( 4.827 -1.866 -4.516) 6.868 7.919 ( -0.101 -9.484 2.176) 9.731 8.743 ( -5.623 1.499 4.592) 7.413 9.183 ( 2.354 11.712 4.643) 12.816 9.816 ( 11.861 -2.062 10.374) 15.892 11.441 ( -7.228 3.738 -2.812) 8.609 11.850 ( 2.656 -11.079 -0.622) 11.410 12.142 ( 2.476 -2.260 4.345) 5.488 12.507 ( 1.867 5.137 -14.373) 15.378 13.814 ( -6.495 -2.792 5.240) 8.800 14.163 ( -4.110 -0.419 6.975) 8.107 20.942 ( -17.360 -32.764 27.961) 46.440 23.090 ( -6.082 13.633 9.869) 17.896 24.648 ( 3.910 4.654 -8.704) 10.617 24.722 ( 16.116 2.560 -10.799) 19.568 ======================= Grid point 543 (268/433) ======================= q-point: (-0.33 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -39.324 -0.000 -13.038) 41.429 3.116 ( -27.778 -0.000 30.571) 41.306 3.163 ( -28.375 -0.000 27.920) 39.808 4.409 ( 2.637 0.000 -6.312) 6.841 4.933 ( 5.066 0.000 2.566) 5.679 5.089 ( 0.387 0.000 -4.996) 5.011 5.840 ( -2.663 -0.000 8.310) 8.727 6.192 ( 6.955 0.000 1.181) 7.054 6.917 ( 17.220 0.000 -9.977) 19.902 7.177 ( 10.424 0.000 -8.547) 13.480 7.718 ( -28.498 -0.000 -2.552) 28.612 8.809 ( 6.403 0.000 11.565) 13.219 9.319 ( -6.252 -0.000 -6.427) 8.966 9.405 ( 9.973 0.000 8.820) 13.314 10.901 ( -2.970 -0.000 14.119) 14.428 11.999 ( -1.379 -0.000 7.883) 8.002 12.370 ( 8.711 0.000 -14.156) 16.622 13.050 ( -2.970 -0.000 -33.127) 33.260 13.789 ( -1.959 -0.000 0.025) 1.959 14.162 ( -0.687 -0.000 -17.127) 17.141 19.669 ( -21.574 -0.000 34.063) 40.321 22.839 ( 12.052 0.000 -17.569) 21.305 24.768 ( 7.662 0.000 26.011) 27.116 24.885 ( -3.982 -0.000 -0.481) 4.011 ======================= Grid point 544 (269/433) ======================= q-point: (-0.25 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -41.698 -0.054 -11.392) 43.226 2.587 ( -31.116 23.493 28.629) 48.371 3.547 ( -21.158 -26.846 28.655) 44.604 4.462 ( 0.706 -7.944 -2.776) 8.444 4.948 ( 3.310 3.418 0.620) 4.798 5.099 ( 0.322 -3.057 -2.981) 4.282 5.864 ( -1.806 0.226 9.184) 9.362 6.195 ( 7.342 7.857 -2.595) 11.062 6.997 ( 13.627 1.009 -9.099) 16.416 7.192 ( -0.409 3.096 -12.130) 12.525 7.498 ( -16.324 -5.233 0.568) 17.152 8.883 ( 2.057 3.591 6.888) 8.036 9.321 ( -0.052 -8.078 -0.992) 8.139 9.511 ( 8.650 3.435 9.350) 13.193 11.031 ( -1.396 -8.533 13.167) 15.752 12.015 ( -2.169 1.315 5.876) 6.401 12.289 ( 5.071 9.155 -13.430) 17.026 12.798 ( -5.723 1.396 -31.830) 32.370 13.769 ( -2.464 0.004 0.599) 2.536 14.090 ( -1.734 -2.091 -9.953) 10.317 19.749 ( -21.243 -10.654 33.666) 41.209 22.931 ( 11.760 -8.465 -17.191) 22.483 24.828 ( -1.605 2.644 1.606) 3.485 24.945 ( 9.445 4.682 19.064) 21.784 ======================= Grid point 545 (270/433) ======================= q-point: (-0.17 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -39.023 -3.324 -6.000) 39.622 2.127 ( -29.647 13.190 22.119) 39.270 3.950 ( -11.514 -21.391 22.494) 33.108 4.654 ( 2.734 -11.484 3.206) 12.233 4.914 ( 1.982 3.489 2.639) 4.803 5.143 ( -3.158 -3.910 -2.211) 5.491 5.876 ( 1.285 6.150 10.620) 12.340 6.064 ( 2.090 4.574 -10.751) 11.869 6.895 ( -10.080 11.881 -11.117) 19.141 7.066 ( 3.784 -2.929 -6.239) 7.863 7.612 ( 4.675 -8.787 0.441) 9.963 8.827 ( -3.109 4.148 3.453) 6.228 9.452 ( 1.565 -0.501 -1.834) 2.463 9.635 ( 12.108 -4.094 12.471) 17.858 11.282 ( 0.383 -12.841 10.250) 16.434 11.868 ( -6.774 11.885 -9.391) 16.593 12.130 ( -1.266 1.895 0.744) 2.397 12.615 ( -0.419 0.476 -20.817) 20.827 13.754 ( -3.563 -0.655 1.986) 4.131 14.090 ( -2.041 -3.533 -2.572) 4.823 20.006 ( -20.264 -20.438 32.518) 43.425 23.106 ( 8.896 -9.128 -13.467) 18.543 24.772 ( -0.317 2.748 -1.634) 3.213 24.992 ( 12.067 10.756 10.043) 19.031 ======================= Grid point 546 (271/433) ======================= q-point: (-0.08 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -30.792 -11.078 -7.095) 33.485 1.888 ( -19.262 -0.827 16.010) 25.060 4.298 ( -3.844 -15.395 14.222) 21.309 4.856 ( 9.477 0.131 4.280) 10.399 4.903 ( 4.269 4.760 1.446) 6.555 5.115 ( -11.112 -3.022 4.663) 12.424 5.803 ( 1.573 3.732 -0.639) 4.100 6.062 ( -2.856 -7.681 -2.092) 8.458 6.522 ( -7.071 14.118 -12.384) 20.067 7.126 ( 3.797 -3.226 -5.056) 7.098 7.814 ( 6.150 -7.698 2.151) 10.085 8.749 ( -4.922 2.568 2.905) 6.266 9.378 ( 0.109 7.973 0.352) 7.981 9.906 ( 10.777 -5.671 8.631) 14.927 11.436 ( -5.475 3.303 -1.815) 6.647 11.686 ( -1.671 -8.492 1.688) 8.818 12.139 ( -0.747 -1.492 2.884) 3.332 12.512 ( 2.520 2.240 -14.027) 14.426 13.749 ( -4.894 -1.582 3.404) 6.167 14.129 ( -2.687 -3.039 3.570) 5.404 20.417 ( -18.551 -28.178 30.613) 45.555 23.200 ( 1.883 -0.169 -3.145) 3.670 24.708 ( 1.437 3.706 -4.745) 6.190 24.934 ( 13.651 10.816 -3.736) 17.813 ======================= Grid point 556 (272/433) ======================= q-point: (-0.25 -0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -44.031 -0.000 -12.812) 45.857 2.967 ( -28.234 -0.000 31.313) 42.163 3.024 ( -25.771 -0.000 39.831) 47.441 4.380 ( 1.206 0.000 -2.672) 2.932 4.995 ( 0.967 0.000 -1.451) 1.744 5.081 ( 3.186 0.000 -0.943) 3.323 5.878 ( -2.106 -0.000 6.663) 6.988 6.361 ( 7.579 0.000 3.890) 8.519 6.964 ( -10.568 -0.000 -14.385) 17.850 7.238 ( 8.404 0.000 -11.398) 14.161 7.337 ( 1.649 0.000 3.349) 3.733 9.009 ( 4.080 0.000 5.700) 7.010 9.185 ( -4.179 -0.000 -1.197) 4.347 9.664 ( 6.582 0.000 9.754) 11.767 11.018 ( -1.135 -0.000 13.780) 13.826 12.038 ( -2.604 -0.000 6.067) 6.602 12.392 ( 8.858 0.000 -11.199) 14.278 12.503 ( -14.789 -0.000 -35.527) 38.482 13.748 ( -2.390 -0.000 -0.097) 2.392 14.005 ( -0.942 -0.000 -7.480) 7.539 19.650 ( -21.299 -0.000 34.106) 40.210 22.866 ( 11.905 0.000 -17.607) 21.254 24.819 ( -2.692 -0.000 -0.292) 2.708 25.218 ( 12.910 0.000 19.657) 23.517 ======================= Grid point 557 (273/433) ======================= q-point: (-0.17 -0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -37.835 -4.099 -4.399) 38.310 2.424 ( -28.424 28.132 37.791) 55.022 3.506 ( -20.981 -30.699 34.044) 50.414 4.479 ( 3.736 -10.490 -1.336) 11.215 4.970 ( -0.977 1.603 0.648) 1.985 5.127 ( 4.891 0.128 1.621) 5.155 5.906 ( -1.706 -1.478 4.036) 4.624 6.273 ( 0.193 15.915 0.735) 15.933 6.821 ( -14.887 -3.847 -3.096) 15.685 7.129 ( 9.548 8.666 -11.340) 17.171 7.549 ( 13.953 -8.244 -1.938) 16.322 8.918 ( -2.573 8.214 2.225) 8.890 9.335 ( 2.414 -11.971 -1.576) 12.313 9.757 ( 4.818 0.079 10.079) 11.172 11.159 ( -0.321 -8.387 12.919) 15.406 11.946 ( -9.691 11.651 -11.326) 18.919 12.120 ( -7.340 1.202 -4.988) 8.955 12.480 ( 3.884 -4.537 -14.736) 15.900 13.726 ( -2.717 -0.083 0.261) 2.731 14.001 ( 0.032 -3.207 -3.183) 4.518 19.734 ( -20.833 -10.700 33.860) 41.170 22.955 ( 11.374 -8.253 -17.263) 22.260 24.787 ( -1.499 1.133 -0.357) 1.913 25.348 ( 12.515 9.135 11.378) 19.223 ======================= Grid point 558 (274/433) ======================= q-point: (-0.08 -0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -19.567 -8.121 8.360) 22.775 1.978 ( -24.613 17.757 35.028) 46.347 3.993 ( -13.798 -24.689 26.825) 38.981 4.753 ( 3.926 -15.692 -1.012) 16.207 4.966 ( -2.072 -1.641 6.387) 6.912 5.145 ( 8.012 6.224 1.193) 10.215 5.912 ( -3.850 0.994 -8.627) 9.500 5.993 ( -3.733 10.689 11.796) 16.350 6.677 ( -0.558 11.096 -5.982) 12.618 7.076 ( 4.556 -1.292 -7.452) 8.830 7.785 ( 12.035 -6.123 -0.692) 13.521 8.779 ( -4.689 5.115 1.355) 7.070 9.445 ( 0.401 0.264 -3.462) 3.495 9.916 ( 5.972 -6.846 6.626) 11.244 11.395 ( 0.525 -7.890 7.703) 11.039 11.584 ( -11.102 4.740 -5.208) 13.147 12.108 ( -2.772 -1.909 2.088) 3.961 12.486 ( 4.254 -0.274 -11.155) 11.941 13.707 ( -3.348 -0.533 1.383) 3.661 14.063 ( 0.042 -4.232 0.911) 4.329 19.999 ( -19.598 -20.630 32.811) 43.431 23.117 ( 8.433 -8.508 -13.323) 17.916 24.749 ( 0.339 2.270 -1.484) 2.733 25.263 ( 9.108 15.350 0.470) 17.855 ======================= Grid point 569 (275/433) ======================= q-point: (-0.17 -0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -20.964 -0.000 13.561) 24.967 2.829 ( -26.899 -0.000 35.858) 44.826 3.039 ( -22.642 -0.000 43.951) 49.441 4.413 ( 5.355 0.000 -2.439) 5.884 4.969 ( -2.825 -0.000 1.433) 3.168 5.212 ( 7.840 0.000 5.344) 9.488 5.902 ( -0.082 -0.000 -0.032) 0.087 6.521 ( 4.031 0.000 4.535) 6.067 6.552 ( -18.275 -0.000 4.498) 18.820 7.246 ( 8.380 0.000 -14.527) 16.770 7.612 ( 21.226 0.000 -3.642) 21.536 9.065 ( -0.697 -0.000 -1.176) 1.367 9.148 ( 0.468 0.000 1.357) 1.435 9.823 ( -0.398 -0.000 7.533) 7.544 11.154 ( -0.507 -0.000 14.029) 14.038 11.842 ( -20.402 -0.000 -19.454) 28.190 12.042 ( -2.559 -0.000 3.623) 4.436 12.444 ( 8.075 0.000 -8.049) 11.401 13.703 ( -2.196 -0.000 -0.390) 2.230 13.968 ( 2.317 0.000 -2.038) 3.086 19.638 ( -20.931 -0.000 34.433) 40.295 22.887 ( 11.505 0.000 -17.875) 21.257 24.786 ( -1.165 -0.000 0.879) 1.459 25.591 ( 10.504 0.000 5.315) 11.772 ======================= Grid point 570 (276/433) ======================= q-point: (-0.08 -0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 4.624 -2.995 28.969) 29.489 2.374 ( -24.785 28.567 42.270) 56.720 3.525 ( -19.639 -31.303 37.516) 52.660 4.548 ( 7.238 -10.223 -5.627) 13.732 4.960 ( -3.396 -0.840 6.407) 7.300 5.304 ( 7.713 1.123 4.474) 8.988 5.870 ( -1.304 1.630 -5.846) 6.207 6.258 ( -4.521 15.923 13.048) 21.077 6.708 ( -0.897 -5.857 3.300) 6.782 7.155 ( 9.697 8.175 -14.172) 19.019 7.818 ( 17.079 -3.677 -4.468) 18.032 8.868 ( -4.125 10.060 -0.012) 10.873 9.351 ( 2.746 -9.907 -4.598) 11.262 9.867 ( -2.397 -4.169 4.813) 6.804 11.306 ( 0.519 -8.609 13.439) 15.969 11.545 ( -11.694 5.992 -6.321) 14.581 12.057 ( -2.643 -2.034 2.147) 3.967 12.477 ( 6.373 -0.222 -7.737) 10.026 13.682 ( -2.030 -0.033 0.037) 2.030 14.016 ( 3.640 -2.862 -0.569) 4.665 19.730 ( -20.317 -10.918 34.263) 41.303 22.968 ( 10.924 -8.093 -17.544) 22.195 24.777 ( -0.033 1.050 1.105) 1.524 25.564 ( 3.751 11.673 -1.751) 12.386 ======================= Grid point 582 (277/433) ======================= q-point: (-0.08 -0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 21.522 0.000 36.468) 42.345 2.775 ( -24.083 -0.000 39.673) 46.411 3.161 ( -18.469 -0.000 46.976) 50.476 4.503 ( 9.355 0.000 -6.997) 11.682 4.952 ( -4.305 -0.000 8.700) 9.707 5.367 ( 0.254 0.000 3.293) 3.303 5.849 ( 0.235 0.000 -6.005) 6.009 6.559 ( 6.000 0.000 13.856) 15.100 6.572 ( -4.157 -0.000 3.269) 5.288 7.249 ( 11.361 0.000 -16.513) 20.044 7.921 ( 16.778 0.000 -6.526) 18.003 8.961 ( -6.112 -0.000 -6.172) 8.686 9.225 ( 5.664 0.000 -0.019) 5.664 9.797 ( -8.607 -0.000 2.947) 9.098 11.277 ( -6.058 -0.000 11.814) 13.277 11.544 ( 6.516 0.000 2.074) 6.839 12.025 ( -2.617 -0.000 1.610) 3.073 12.500 ( 6.742 0.000 -6.844) 9.607 13.667 ( -1.051 -0.000 -0.284) 1.089 14.035 ( 6.864 0.000 -1.493) 7.025 19.639 ( -20.434 -0.000 34.895) 40.437 22.895 ( 11.045 0.000 -18.232) 21.316 24.797 ( 0.304 0.000 2.704) 2.721 25.648 ( -4.605 -0.000 -5.560) 7.219 ======================= Grid point 583 (278/433) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 20.288 0.000 26.030) 33.002 3.596 ( -13.550 -0.000 33.912) 36.519 4.245 ( -0.455 -0.000 -14.171) 14.178 4.303 ( -7.339 -0.000 40.717) 41.373 5.201 ( -5.388 -0.000 -7.571) 9.293 5.385 ( -1.799 -0.000 17.768) 17.858 5.878 ( 5.599 0.000 3.120) 6.410 6.265 ( -14.752 -0.000 -12.429) 19.290 6.836 ( 1.694 0.000 -3.852) 4.208 7.020 ( 19.111 0.000 -14.473) 23.973 8.095 ( 9.616 0.000 3.801) 10.341 8.548 ( -11.681 -0.000 -8.473) 14.431 9.347 ( 9.762 0.000 1.881) 9.942 9.542 ( -15.689 -0.000 -3.355) 16.044 11.460 ( -6.581 -0.000 10.558) 12.442 11.939 ( -2.926 -0.000 -3.662) 4.687 12.044 ( 24.425 0.000 2.210) 24.525 12.379 ( 2.076 0.000 -7.461) 7.745 13.693 ( 0.248 0.000 2.672) 2.684 14.042 ( 6.685 0.000 -6.937) 9.634 20.402 ( -21.586 -0.000 38.343) 44.002 22.448 ( 14.563 0.000 -25.665) 29.509 24.955 ( 3.123 0.000 5.393) 6.232 25.271 ( -14.094 -0.000 -4.337) 14.746 ======================= Grid point 584 (279/433) ======================= q-point: ( 0.08 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 8.098 9.122 27.322) 29.921 3.538 ( -3.895 10.344 33.212) 35.003 4.145 ( -4.327 -1.450 -17.136) 17.733 4.552 ( -4.357 -6.441 28.076) 29.133 5.140 ( -5.263 -4.462 -4.576) 8.279 5.545 ( -0.995 -8.284 13.496) 15.867 5.901 ( -0.554 6.070 -1.639) 6.311 6.006 ( -7.961 3.843 -5.834) 10.591 6.770 ( 0.114 3.374 -7.021) 7.791 7.148 ( 16.776 -2.328 -12.854) 21.262 8.209 ( 4.368 -1.322 5.480) 7.132 8.394 ( -9.403 -0.372 -6.315) 11.333 9.328 ( -9.342 4.399 0.133) 10.327 9.476 ( 2.868 -0.942 -0.474) 3.055 11.494 ( -6.782 -4.247 10.374) 13.101 11.887 ( -2.703 -0.192 -3.605) 4.510 12.292 ( 25.846 -0.410 -2.238) 25.946 12.343 ( 2.800 1.609 -8.457) 9.052 13.720 ( -0.023 -0.992 3.461) 3.600 14.076 ( 6.188 -1.882 -8.221) 10.460 20.506 ( -21.187 -10.574 38.031) 44.800 22.518 ( 14.348 -8.913 -25.790) 30.829 24.975 ( -0.783 5.308 4.986) 7.324 25.048 ( -12.229 6.784 -0.863) 14.011 ======================= Grid point 585 (280/433) ======================= q-point: ( 0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -10.859 22.164 38.848) 46.026 3.649 ( 7.509 1.500 17.155) 18.786 4.016 ( -7.115 -2.353 -21.245) 22.528 4.619 ( 2.807 8.108 5.289) 10.079 5.264 ( -3.383 -13.559 3.604) 14.432 5.499 ( -5.728 11.697 -10.713) 16.864 5.808 ( -7.210 -3.668 6.176) 10.178 6.075 ( 6.000 -7.174 10.258) 13.882 6.677 ( -2.906 1.628 -5.959) 6.827 7.228 ( 14.167 1.820 -12.241) 18.811 8.176 ( -12.123 -0.987 -1.645) 12.274 8.442 ( 4.420 -5.441 4.815) 8.505 9.150 ( -14.542 2.398 -1.422) 14.807 9.510 ( 9.056 4.435 3.549) 10.690 11.575 ( -6.119 -5.380 8.622) 11.863 11.867 ( -2.288 -2.650 -4.179) 5.452 12.278 ( 2.225 2.871 -8.069) 8.848 12.484 ( 24.254 3.402 -4.269) 24.861 13.762 ( -1.907 -2.479 4.262) 5.287 14.128 ( 4.922 -3.179 -6.731) 8.924 20.783 ( -20.316 -19.961 36.929) 46.636 22.709 ( 13.534 -14.276 -24.950) 31.772 24.671 ( -16.173 14.899 2.489) 22.130 24.976 ( 3.711 6.018 2.857) 7.626 ======================= Grid point 586 (281/433) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -10.334 17.158 34.039) 39.495 3.599 ( -15.671 3.885 -9.241) 18.603 3.915 ( 4.465 5.111 -11.773) 13.589 4.490 ( 9.468 9.901 -3.114) 14.048 5.234 ( -1.519 8.528 -4.261) 9.654 5.467 ( 4.479 -5.412 0.763) 7.066 5.794 ( -10.869 -2.482 6.279) 12.795 6.373 ( 4.638 -13.949 6.199) 15.953 6.592 ( -5.793 0.625 -5.086) 7.735 7.209 ( 11.212 6.641 -10.529) 16.753 8.108 ( -13.211 -6.463 -1.177) 14.754 8.603 ( 3.434 -3.955 6.559) 8.394 8.984 ( -14.082 0.323 -0.551) 14.096 9.551 ( 11.783 4.989 8.315) 15.260 11.636 ( -5.727 -2.904 6.351) 9.031 11.889 ( -1.325 -4.907 -5.559) 7.532 12.202 ( 2.110 3.615 -6.405) 7.652 12.569 ( 20.473 7.542 -4.809) 22.342 13.814 ( -4.794 -4.617 4.097) 7.816 14.203 ( 3.864 -3.616 -1.980) 5.650 21.201 ( -19.093 -26.863 34.888) 47.993 22.949 ( 11.312 -14.338 -20.883) 27.742 24.271 ( -14.735 16.669 3.539) 22.528 24.899 ( 5.448 8.591 -0.722) 10.199 ======================= Grid point 587 (282/433) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -5.033 4.775 19.236) 20.449 3.245 ( -23.779 4.727 -18.976) 30.787 3.637 ( 5.709 21.729 -18.834) 29.317 4.516 ( 10.738 -0.345 2.464) 11.023 5.120 ( 1.324 5.898 3.143) 6.813 5.506 ( 12.262 7.640 -2.270) 14.624 5.806 ( -15.840 -9.126 4.351) 18.792 6.476 ( -7.569 1.555 -8.127) 11.214 6.655 ( 2.530 -12.414 0.656) 12.686 7.104 ( 7.998 9.688 -8.199) 15.001 8.152 ( -11.265 -12.057 0.198) 16.501 8.640 ( -1.345 4.628 2.200) 5.298 8.929 ( -8.378 -4.913 6.747) 11.826 9.662 ( 12.615 1.540 11.778) 17.327 11.631 ( -5.904 0.669 4.369) 7.375 11.943 ( -0.197 -6.120 -6.949) 9.262 12.127 ( 2.117 3.798 -5.305) 6.859 12.561 ( 16.206 9.902 -3.980) 19.404 13.873 ( -6.861 -5.941 3.541) 9.742 14.293 ( 2.506 -2.718 3.695) 5.227 21.707 ( -17.606 -30.468 31.807) 47.433 23.119 ( 4.270 -3.621 -7.292) 9.194 23.924 ( -8.390 9.149 -3.521) 12.903 24.781 ( 7.708 10.166 -5.534) 13.906 ======================= Grid point 588 (283/433) ======================= q-point: (-0.58 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -15.797 2.492 -11.098) 19.466 2.967 ( -5.715 -7.431 -6.784) 11.571 3.169 ( 6.078 25.689 -19.328) 32.717 4.649 ( 6.095 -3.222 3.945) 7.943 5.046 ( 1.568 7.828 5.000) 9.420 5.483 ( 13.459 7.272 1.157) 15.342 5.828 ( -14.201 -7.960 -0.144) 16.280 6.309 ( -10.315 2.794 -8.987) 13.963 6.834 ( 2.713 -5.490 -3.992) 7.310 6.955 ( 4.818 8.308 -6.591) 11.648 8.294 ( -8.704 -13.721 1.573) 16.325 8.509 ( -2.560 7.181 0.307) 7.630 9.014 ( -3.930 -4.375 10.965) 12.443 9.840 ( 10.848 -1.470 11.937) 16.197 11.563 ( -6.051 3.011 3.564) 7.641 12.008 ( 0.615 -5.054 -7.293) 8.894 12.059 ( 2.073 2.159 -5.671) 6.412 12.500 ( 11.719 9.933 -2.444) 15.556 13.922 ( -7.054 -4.861 3.433) 9.229 14.370 ( 0.382 -0.897 7.670) 7.732 22.238 ( -15.857 -30.377 27.607) 44.004 22.974 ( -9.323 19.541 14.912) 26.289 23.860 ( 4.200 -9.819 -18.114) 21.028 24.643 ( 10.360 10.346 -10.694) 18.131 ======================= Grid point 589 (284/433) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -20.847 7.480 -15.233) 26.882 2.704 ( 3.401 22.871 -12.676) 26.370 3.255 ( 9.631 -23.850 -11.565) 28.202 4.766 ( 2.516 -2.049 6.094) 6.904 4.946 ( 1.229 6.572 2.693) 7.208 5.521 ( 12.583 5.251 6.620) 15.157 5.821 ( -11.131 -6.109 -2.955) 13.036 6.104 ( -12.410 2.850 -9.510) 15.892 6.732 ( 3.017 12.734 -1.189) 13.141 6.971 ( 3.178 -4.993 -7.732) 9.738 8.313 ( -1.807 8.532 5.113) 10.110 8.517 ( -5.523 -13.190 -2.491) 14.515 9.104 ( -2.345 -2.535 10.375) 10.934 10.014 ( 7.535 -1.764 9.274) 12.079 11.472 ( -5.744 3.431 3.916) 7.753 11.983 ( 1.612 2.690 -4.083) 5.148 12.089 ( 1.579 -5.555 -9.076) 10.757 12.423 ( 7.160 8.014 -0.424) 10.755 13.939 ( -6.030 -1.763 3.767) 7.325 14.406 ( -1.836 1.354 8.882) 9.170 22.548 ( -14.663 27.636 23.138) 38.911 22.725 ( -12.761 -25.149 21.690) 35.577 24.034 ( 7.600 -14.078 -18.136) 24.184 24.517 ( 12.399 7.796 -14.790) 20.815 ======================= Grid point 590 (285/433) ======================= q-point: (-0.42 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -11.683 7.641 -3.407) 14.369 2.351 ( -2.778 14.045 0.589) 14.329 3.743 ( 12.617 -30.178 -18.871) 37.762 4.752 ( 1.098 8.060 4.267) 9.186 4.975 ( 1.732 -5.365 5.314) 7.747 5.587 ( 8.310 4.428 10.452) 14.068 5.776 ( -8.882 1.896 -3.146) 9.612 5.929 ( -8.271 -3.760 -10.258) 13.703 6.534 ( 0.457 12.869 4.201) 13.545 7.027 ( 4.147 -2.593 -7.617) 9.052 8.179 ( 2.334 9.787 4.312) 10.947 8.660 ( -6.366 -9.802 -0.762) 11.713 9.172 ( -1.654 -2.589 5.858) 6.615 10.122 ( 3.597 -0.137 4.712) 5.929 11.397 ( -4.580 2.299 4.737) 6.978 11.936 ( 1.268 2.376 -2.158) 3.451 12.132 ( 2.345 -2.881 -9.200) 9.922 12.366 ( 2.789 3.983 1.520) 5.094 13.912 ( -4.713 1.613 4.118) 6.464 14.385 ( -3.167 3.796 7.560) 9.033 22.048 ( -16.275 30.228 27.607) 44.054 23.064 ( -7.125 -13.467 10.915) 18.742 24.246 ( 7.318 -12.814 -13.992) 20.335 24.477 ( 11.057 -0.979 -14.266) 18.076 ======================= Grid point 591 (286/433) ======================= q-point: (-0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.268 6.052 14.341) 15.905 2.222 ( -10.541 -0.827 18.034) 20.905 4.256 ( 9.685 -28.894 -19.970) 36.434 4.640 ( 1.355 7.077 1.259) 7.314 5.131 ( 3.725 -3.916 8.182) 9.805 5.561 ( -7.291 10.355 5.226) 13.700 5.628 ( -0.338 -0.096 0.156) 0.385 5.998 ( 6.095 -7.612 -3.763) 10.453 6.369 ( -3.791 8.197 8.527) 12.421 7.048 ( 4.057 0.120 -6.559) 7.713 8.078 ( 5.899 8.918 3.296) 11.189 8.712 ( -7.330 -3.808 1.065) 8.329 9.229 ( -1.414 -4.039 -0.738) 4.342 10.131 ( -0.604 2.076 -0.439) 2.206 11.369 ( -2.407 0.451 5.365) 5.897 11.897 ( 0.972 3.451 1.205) 3.782 12.125 ( 1.991 0.484 -6.911) 7.209 12.359 ( 0.048 -0.304 1.302) 1.338 13.850 ( -3.513 3.742 4.083) 6.558 14.306 ( -2.914 5.902 4.609) 8.036 21.545 ( -17.747 29.334 31.298) 46.422 23.142 ( 2.797 3.311 -5.268) 6.822 24.443 ( 6.128 -10.603 -9.195) 15.314 24.619 ( 4.777 -13.906 -7.866) 16.675 ======================= Grid point 592 (287/433) ======================= q-point: (-0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 14.863 3.110 28.437) 32.237 2.392 ( -14.072 -15.655 32.621) 38.823 4.468 ( -2.225 2.786 -1.563) 3.893 4.698 ( 0.932 -13.541 -10.991) 17.465 5.187 ( 7.440 5.046 -0.747) 9.021 5.431 ( 4.162 7.656 14.371) 16.806 5.638 ( -3.711 -4.583 -2.057) 6.246 6.162 ( -0.585 -2.732 7.364) 7.876 6.353 ( 4.730 -6.762 1.280) 8.350 7.026 ( 3.393 2.540 -5.027) 6.575 8.018 ( 8.794 8.045 2.416) 12.161 8.690 ( -7.893 -2.038 0.958) 8.208 9.264 ( -1.035 -3.181 -5.526) 6.460 10.042 ( -4.945 3.630 -4.156) 7.410 11.397 ( 0.510 -1.282 5.352) 5.527 11.840 ( 0.833 6.418 5.294) 8.361 12.093 ( 0.921 0.883 -4.412) 4.592 12.376 ( -0.864 -1.354 0.168) 1.615 13.776 ( -2.486 3.965 3.655) 5.938 14.193 ( -0.832 6.716 1.072) 6.852 21.086 ( -19.190 25.565 34.377) 46.942 22.989 ( 10.322 12.956 -17.651) 24.207 24.615 ( 5.027 -8.051 -4.502) 10.505 24.903 ( -1.281 -19.953 -3.996) 20.390 ======================= Grid point 593 (288/433) ======================= q-point: (-0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 19.523 0.268 33.158) 38.480 2.809 ( -13.597 -23.467 39.457) 47.880 4.361 ( -2.139 6.331 2.296) 7.066 4.648 ( -9.250 8.998 3.509) 13.373 5.247 ( 9.124 -3.664 -9.104) 13.400 5.420 ( 4.071 9.783 17.432) 20.400 5.708 ( 1.882 -5.038 -1.806) 5.673 6.222 ( -11.558 -10.341 4.893) 16.262 6.601 ( 13.196 -8.961 -5.174) 16.769 6.986 ( 5.531 3.251 -3.962) 7.540 7.990 ( 10.532 6.875 1.948) 12.727 8.670 ( -7.982 -4.301 -0.952) 9.116 9.258 ( 0.929 -0.464 -6.622) 6.703 9.887 ( -9.226 3.543 -4.922) 11.041 11.468 ( 2.005 -1.403 4.961) 5.532 11.768 ( 2.772 6.994 8.526) 11.371 12.062 ( 0.916 1.613 -3.106) 3.618 12.387 ( -0.764 -1.272 -1.557) 2.150 13.718 ( -1.585 2.753 3.104) 4.441 14.091 ( 2.498 5.478 -2.150) 6.393 20.717 ( -20.485 19.065 36.615) 46.084 22.745 ( 13.646 14.230 -23.585) 30.740 24.759 ( 4.068 -5.550 -0.165) 6.884 25.180 ( -5.819 -17.900 -4.319) 19.311 ======================= Grid point 594 (289/433) ======================= q-point: (-0.08 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 21.089 -0.786 30.917) 37.433 3.305 ( -13.583 -21.950 38.728) 46.542 4.258 ( -3.206 6.164 10.514) 12.602 4.416 ( -4.888 12.327 7.925) 15.448 5.274 ( -2.203 -0.755 -5.758) 6.211 5.377 ( 0.296 7.586 15.693) 17.433 5.799 ( 4.623 -2.105 1.625) 5.333 6.331 ( -10.931 -11.953 -6.712) 17.533 6.768 ( 5.758 -4.416 -4.065) 8.318 6.985 ( 14.016 3.755 -9.472) 17.328 8.010 ( 11.033 3.445 2.242) 11.774 8.655 ( -9.633 -4.050 -5.602) 11.857 9.260 ( 5.844 -0.294 -2.291) 6.284 9.713 ( -12.897 2.125 -3.784) 13.607 11.487 ( -3.753 2.370 7.965) 9.118 11.816 ( 12.837 -0.130 6.052) 14.193 12.015 ( 1.431 3.270 -2.619) 4.427 12.389 ( 0.615 -1.011 -4.494) 4.647 13.690 ( -0.604 1.224 2.646) 2.977 14.039 ( 5.452 2.705 -4.716) 7.700 20.478 ( -21.358 10.283 37.906) 44.708 22.534 ( 14.534 9.077 -25.383) 30.626 24.875 ( 3.419 -2.967 3.334) 5.622 25.324 ( -10.223 -10.140 -5.317) 15.349 ======================= Grid point 596 (290/433) ======================= q-point: ( 0.08 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( 14.824 0.000 17.041) 22.587 3.752 ( -9.051 -0.000 31.287) 32.570 3.971 ( -10.663 -0.000 -18.894) 21.695 4.601 ( -11.247 -0.000 41.499) 42.996 5.036 ( -1.348 -0.000 -9.244) 9.341 5.519 ( -2.862 -0.000 13.078) 13.388 5.828 ( -14.801 -0.000 -14.089) 20.434 6.037 ( 6.849 0.000 4.718) 8.317 6.731 ( -2.951 -0.000 -12.761) 13.098 7.219 ( 17.641 0.000 -11.515) 21.067 8.236 ( -11.903 -0.000 -8.154) 14.428 8.293 ( 4.962 0.000 8.059) 9.464 9.204 ( -16.453 -0.000 -3.315) 16.783 9.597 ( 12.966 0.000 5.563) 14.109 11.442 ( -8.981 -0.000 11.890) 14.901 11.829 ( -3.726 -0.000 -4.417) 5.779 12.332 ( 3.805 0.000 -10.853) 11.501 12.531 ( 29.384 0.000 -5.917) 29.974 13.735 ( 0.784 0.000 3.016) 3.116 14.067 ( 6.506 0.000 -10.794) 12.604 20.428 ( -21.508 -0.000 38.350) 43.970 22.430 ( 14.410 0.000 -25.931) 29.666 24.952 ( -17.762 -0.000 0.647) 17.774 25.075 ( 2.119 0.000 7.289) 7.591 ======================= Grid point 597 (291/433) ======================= q-point: ( 0.17 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -3.813 18.491 27.338) 33.224 3.718 ( -19.133 3.258 -13.806) 23.818 3.856 ( 7.236 -2.574 10.190) 12.760 4.789 ( -4.683 -2.358 28.148) 28.632 4.999 ( -5.136 -6.600 -3.090) 8.916 5.532 ( -5.822 5.509 -11.690) 14.174 5.682 ( -5.291 -7.254 5.133) 10.342 6.126 ( 5.930 -0.427 6.639) 8.912 6.610 ( -5.163 0.757 -12.632) 13.668 7.312 ( 14.946 0.078 -11.635) 18.941 8.064 ( -11.216 2.330 -5.556) 12.732 8.420 ( 2.830 -4.541 8.483) 10.030 9.031 ( -15.002 1.305 -1.992) 15.190 9.722 ( 13.794 3.530 5.778) 15.366 11.464 ( -9.380 -4.729 11.230) 15.378 11.786 ( -2.715 -1.405 -4.325) 5.296 12.293 ( 3.915 1.574 -10.994) 11.776 12.736 ( 27.180 2.153 -8.632) 28.599 13.755 ( 0.063 0.205 2.659) 2.668 14.083 ( 5.772 -2.418 -10.331) 12.078 20.533 ( -21.318 -10.764 37.951) 44.840 22.495 ( 14.214 -8.670 -26.029) 30.899 24.730 ( -17.532 7.949 3.723) 19.607 25.105 ( 1.639 3.165 6.621) 7.520 ======================= Grid point 598 (292/433) ======================= q-point: ( 0.25 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -11.595 22.441 29.378) 38.745 3.376 ( -23.865 3.940 -15.567) 28.765 3.996 ( 9.053 0.459 0.133) 9.065 4.739 ( 6.834 12.158 -2.214) 14.121 5.227 ( -11.414 -18.693 14.758) 26.410 5.320 ( -0.351 6.156 -7.416) 9.644 5.781 ( 0.351 -2.127 -1.468) 2.608 6.261 ( 2.777 -6.474 8.215) 10.822 6.489 ( -7.109 -0.457 -10.383) 12.591 7.348 ( 12.423 2.864 -12.204) 17.648 7.912 ( -12.186 -0.252 -2.275) 12.399 8.581 ( 1.898 -5.935 8.916) 10.877 8.876 ( -12.634 1.311 0.451) 12.710 9.799 ( 13.254 5.313 6.407) 15.651 11.533 ( -8.471 -5.916 8.416) 13.326 11.784 ( -1.415 -3.064 -3.721) 5.023 12.235 ( 3.370 2.407 -9.389) 10.262 12.846 ( 22.666 5.956 -9.874) 25.431 13.757 ( -1.999 -0.325 1.645) 2.610 14.150 ( 4.902 -4.803 -5.554) 8.829 20.811 ( -20.757 -20.181 36.752) 46.785 22.681 ( 13.544 -14.256 -25.375) 32.102 24.421 ( -16.077 13.341 6.715) 21.944 25.069 ( 2.116 6.315 3.778) 7.657 ======================= Grid point 599 (293/433) ======================= q-point: ( 0.33 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -15.791 12.560 -2.364) 20.315 3.029 ( -18.903 9.366 9.870) 23.291 3.924 ( 7.605 14.313 -12.591) 20.524 4.619 ( 6.920 4.881 -4.677) 9.674 5.245 ( 3.228 3.732 3.237) 5.902 5.482 ( -10.434 -13.472 10.688) 20.115 5.749 ( 6.282 5.565 -5.525) 10.047 6.368 ( -9.400 0.091 -9.210) 13.160 6.465 ( 1.316 -11.190 1.784) 11.408 7.303 ( 11.151 7.796 -10.817) 17.382 7.855 ( -13.141 -7.938 0.654) 15.367 8.699 ( -1.392 1.563 4.205) 4.697 8.807 ( -7.210 -5.595 8.516) 12.482 9.869 ( 11.031 3.605 7.327) 13.724 11.581 ( -6.880 -3.205 5.173) 9.185 11.819 ( -0.484 -4.326 -3.678) 5.698 12.172 ( 2.617 2.923 -7.292) 8.281 12.843 ( 17.275 9.229 -9.886) 21.939 13.763 ( -3.796 -2.689 2.370) 5.221 14.262 ( 3.550 -5.194 -0.239) 6.296 21.225 ( -19.899 -26.970 34.605) 48.175 22.925 ( 11.852 -15.234 -22.005) 29.270 24.074 ( -13.506 15.847 8.108) 22.345 24.975 ( 3.555 8.603 -0.734) 9.337 ======================= Grid point 600 (294/433) ======================= q-point: ( 0.42 0.08 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -15.940 7.862 -17.179) 24.719 2.871 ( -7.454 2.831 14.736) 16.755 3.565 ( 9.275 24.340 -19.538) 32.561 4.634 ( 2.691 -2.357 -2.255) 4.229 5.227 ( 1.351 6.446 8.311) 10.604 5.586 ( -10.747 -6.570 2.711) 12.884 5.724 ( 13.677 4.391 -1.916) 14.492 6.204 ( -11.002 2.133 -9.373) 14.610 6.665 ( 1.836 -11.181 -4.455) 12.175 7.173 ( 8.681 11.858 -7.683) 16.583 7.952 ( -11.084 -15.151 1.682) 18.848 8.612 ( -4.093 5.746 4.448) 8.340 8.948 ( -2.403 -6.691 10.922) 13.032 9.962 ( 7.115 0.051 7.206) 10.127 11.568 ( -5.673 0.757 4.143) 7.065 11.878 ( 0.471 -5.402 -5.022) 7.391 12.102 ( 1.805 3.413 -5.911) 7.060 12.754 ( 11.907 10.483 -8.831) 18.157 13.807 ( -4.308 -4.466 4.280) 7.538 14.371 ( 1.238 -3.579 3.735) 5.319 21.720 ( -18.779 -30.390 31.447) 47.594 23.118 ( 5.078 -4.851 -8.609) 11.110 23.773 ( -6.199 8.756 0.781) 10.756 24.841 ( 5.775 9.744 -6.255) 12.939 ======================= Grid point 601 (295/433) ======================= q-point: (-0.50 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -6.831 8.210 -10.657) 15.088 2.958 ( 1.458 -10.494 -0.223) 10.597 3.113 ( 9.829 25.204 -17.734) 32.347 4.704 ( -0.800 -5.595 0.172) 5.655 5.117 ( -2.658 9.503 5.533) 11.313 5.628 ( -3.056 -5.525 1.218) 6.431 5.774 ( 11.590 4.465 0.806) 12.446 6.006 ( -10.468 3.695 -6.791) 13.013 6.824 ( 3.530 -8.546 -7.493) 11.901 6.991 ( 5.484 12.936 -4.495) 14.752 8.155 ( -7.953 -17.101 1.549) 18.923 8.496 ( -2.415 7.411 5.386) 9.474 9.081 ( -2.207 -4.356 10.260) 11.363 10.061 ( 2.037 -2.286 5.118) 5.965 11.509 ( -4.719 3.144 5.138) 7.652 11.952 ( 1.634 -5.679 -6.434) 8.736 12.028 ( 0.871 2.985 -5.206) 6.063 12.624 ( 7.327 9.732 -6.885) 13.993 13.870 ( -3.884 -3.706 5.616) 7.769 14.436 ( -1.585 -0.954 6.186) 6.456 22.235 ( -17.317 -30.054 27.260) 44.116 22.975 ( -8.828 19.941 15.616) 26.823 23.778 ( 7.603 -11.597 -16.246) 21.360 24.689 ( 8.231 9.570 -12.062) 17.459 ======================= Grid point 602 (296/433) ======================= q-point: (-0.42 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 6.321 7.817 3.086) 10.516 2.671 ( 6.923 23.490 -10.711) 26.729 3.283 ( 7.811 -23.665 -13.025) 28.120 4.809 ( -2.560 -6.354 3.160) 7.544 4.956 ( -3.724 6.466 1.858) 7.689 5.695 ( -5.372 1.000 -1.059) 5.566 5.760 ( 1.175 -4.269 -6.736) 8.061 5.883 ( 7.426 8.163 9.008) 14.246 6.786 ( 2.690 13.582 0.321) 13.850 6.945 ( 4.483 -6.234 -9.076) 11.888 8.359 ( -2.922 -2.364 7.491) 8.381 8.399 ( -3.015 -4.500 -1.299) 5.570 9.159 ( -2.795 -1.556 7.988) 8.605 10.115 ( -3.374 -2.380 1.229) 4.308 11.448 ( -2.961 3.414 6.878) 8.229 11.958 ( 0.245 1.909 -3.853) 4.307 12.034 ( 2.485 -5.382 -7.568) 9.613 12.493 ( 3.560 7.644 -4.384) 9.504 13.912 ( -2.934 -0.868 6.124) 6.846 14.439 ( -4.048 1.777 6.843) 8.146 22.537 ( -14.424 22.465 23.564) 35.609 22.727 ( -12.852 -20.055 21.529) 32.107 24.008 ( 10.193 -14.617 -16.261) 24.124 24.547 ( 9.699 6.989 -16.850) 20.660 ======================= Grid point 603 (297/433) ======================= q-point: (-0.33 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 17.530 5.954 18.031) 25.843 2.355 ( 1.312 14.105 3.236) 14.531 3.731 ( 9.374 -29.211 -20.114) 36.684 4.755 ( -3.363 6.748 0.628) 7.566 5.014 ( -2.955 -11.248 3.285) 12.085 5.525 ( -9.105 2.712 -9.273) 13.276 5.853 ( 9.791 7.132 9.135) 15.172 5.951 ( 9.487 -4.308 6.595) 12.331 6.580 ( -0.915 13.102 4.629) 13.926 7.022 ( 4.872 -3.212 -8.262) 10.116 8.286 ( 2.897 7.688 5.660) 9.976 8.542 ( -5.577 -9.472 -0.210) 10.994 9.176 ( -3.666 -0.481 4.078) 5.505 10.086 ( -8.086 -1.075 -3.485) 8.870 11.425 ( 0.054 2.401 8.094) 8.442 11.923 ( -0.342 0.310 -1.628) 1.692 12.095 ( 3.614 -2.976 -7.803) 9.099 12.390 ( 0.188 4.208 -2.004) 4.665 13.909 ( -1.894 2.558 6.280) 7.040 14.381 ( -5.071 3.932 5.492) 8.446 22.066 ( -15.117 30.048 28.083) 43.819 23.049 ( -7.726 -13.839 11.240) 19.431 24.254 ( 9.121 -12.656 -12.296) 19.864 24.476 ( 7.646 -1.388 -17.042) 18.730 ======================= Grid point 604 (298/433) ======================= q-point: (-0.25 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -1.339 1.980 23.216) 23.339 2.394 ( 18.186 0.152 25.696) 31.481 4.167 ( 4.276 -25.050 -18.740) 31.575 4.627 ( -1.557 4.087 -3.487) 5.593 5.203 ( -0.604 -9.538 0.948) 9.604 5.394 ( -4.640 -2.542 -7.884) 9.494 5.837 ( 10.673 12.677 14.720) 22.165 6.168 ( 5.591 -4.267 3.981) 8.081 6.410 ( 0.532 6.539 8.261) 10.549 7.051 ( 4.416 -0.186 -6.971) 8.254 8.234 ( 6.236 6.720 4.765) 10.332 8.588 ( -7.174 -2.813 0.819) 7.749 9.172 ( -3.712 -2.216 -0.363) 4.338 9.970 ( -11.291 0.545 -7.464) 13.546 11.456 ( 3.521 1.068 7.905) 8.720 11.922 ( 0.645 0.192 1.449) 1.598 12.103 ( 3.139 1.077 -6.133) 6.973 12.340 ( -1.761 -0.322 -1.765) 2.514 13.863 ( -1.434 4.963 6.362) 8.195 14.284 ( -3.613 5.020 2.361) 6.620 21.575 ( -16.841 29.529 31.817) 46.561 23.135 ( 2.646 2.908 -5.192) 6.513 24.464 ( 4.394 -11.651 -7.211) 14.389 24.574 ( 2.877 -12.612 -10.418) 16.610 ======================= Grid point 605 (299/433) ======================= q-point: (-0.17 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -7.861 -11.178 34.453) 37.064 2.764 ( 19.377 -3.280 31.285) 36.946 4.359 ( -4.180 -4.788 -6.100) 8.809 4.580 ( -1.576 -4.045 -9.388) 10.343 5.278 ( 8.867 -0.030 -8.179) 12.063 5.506 ( -3.238 -14.644 -4.738) 15.728 5.788 ( 9.001 13.783 18.032) 24.416 6.101 ( -11.501 5.009 7.881) 14.814 6.566 ( 10.771 -7.054 1.243) 12.935 7.051 ( 6.463 0.793 -5.936) 8.811 8.214 ( 8.356 7.017 4.675) 11.871 8.543 ( -8.951 -1.308 0.257) 9.050 9.186 ( -2.093 -3.455 -1.944) 4.483 9.793 ( -12.901 1.545 -9.025) 15.820 11.527 ( 4.601 0.419 6.640) 8.090 11.926 ( 3.621 3.686 3.195) 6.075 12.080 ( 2.547 0.461 -2.817) 3.825 12.334 ( -1.331 -1.876 -3.596) 4.269 13.794 ( -1.599 5.096 5.983) 8.020 14.183 ( 0.155 4.870 -1.534) 5.108 21.120 ( -18.658 25.997 34.825) 47.294 22.981 ( 10.388 13.052 -18.348) 24.798 24.662 ( 1.778 -10.938 -1.766) 11.221 24.787 ( -3.611 -16.581 -5.163) 17.738 ======================= Grid point 606 (300/433) ======================= q-point: (-0.08 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -3.387 -14.984 36.194) 39.319 3.170 ( 10.151 -7.646 32.203) 34.620 4.287 ( -3.173 2.427 -9.084) 9.924 4.567 ( -4.339 1.102 5.648) 7.207 5.274 ( 3.662 4.639 -5.973) 8.403 5.616 ( -1.151 2.458 5.112) 5.788 5.792 ( 5.313 -0.177 8.019) 9.621 6.015 ( -11.884 -5.403 0.699) 13.073 6.719 ( 3.752 -3.898 -3.187) 6.280 7.098 ( 13.105 0.271 -9.027) 15.915 8.194 ( 6.893 6.083 4.941) 10.437 8.487 ( -9.109 -2.182 -2.962) 9.824 9.242 ( 1.016 -4.447 1.107) 4.694 9.601 ( -12.328 1.624 -7.648) 14.599 11.558 ( -1.260 3.214 7.408) 8.173 11.912 ( 2.793 1.884 -0.280) 3.381 12.127 ( 12.976 1.062 0.088) 13.020 12.336 ( 0.193 -2.107 -5.885) 6.254 13.738 ( -1.242 3.187 4.759) 5.861 14.112 ( 4.044 3.656 -5.064) 7.441 20.748 ( -20.212 19.547 36.904) 46.395 22.731 ( 13.546 14.236 -24.272) 31.230 24.838 ( 1.514 -7.770 2.361) 8.261 24.976 ( -9.837 -14.574 -2.854) 17.813 ======================= Grid point 609 (301/433) ======================= q-point: ( 0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -20.306 -0.000 -30.148) 36.348 3.890 ( 11.589 0.000 9.425) 14.938 3.977 ( -10.013 -0.000 37.605) 38.915 4.690 ( -22.132 -0.000 29.511) 36.888 5.041 ( 8.949 0.000 -1.513) 9.076 5.461 ( -3.432 -0.000 -13.944) 14.360 5.584 ( -5.573 -0.000 5.846) 8.077 6.197 ( 3.843 0.000 2.555) 4.614 6.490 ( -5.231 -0.000 -13.232) 14.228 7.364 ( 9.242 0.000 -11.542) 14.786 7.978 ( -5.091 -0.000 -6.565) 8.308 8.451 ( 0.776 0.000 11.292) 11.319 8.907 ( -13.034 -0.000 -0.376) 13.040 9.911 ( 14.191 0.000 4.199) 14.800 11.393 ( -11.077 -0.000 12.743) 16.885 11.729 ( -1.735 -0.000 -4.003) 4.362 12.280 ( 4.626 0.000 -12.804) 13.614 12.943 ( 25.790 0.000 -12.096) 28.486 13.782 ( 0.921 0.000 2.492) 2.656 14.048 ( 5.853 0.000 -12.564) 13.860 20.453 ( -21.727 -0.000 38.203) 43.950 22.408 ( 14.319 0.000 -26.031) 29.709 24.662 ( -17.152 -0.000 5.525) 18.020 25.180 ( 0.005 0.000 7.980) 7.980 ======================= Grid point 610 (302/433) ======================= q-point: ( 0.25 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -21.312 0.576 -28.426) 35.532 3.772 ( -11.752 23.759 37.298) 45.757 4.089 ( 7.490 0.136 3.923) 8.456 4.856 ( -15.381 -18.905 16.560) 29.465 5.004 ( 4.924 10.847 4.644) 12.785 5.357 ( 3.276 2.475 -11.033) 11.772 5.657 ( -2.537 -8.899 0.052) 9.254 6.219 ( -4.454 -3.514 -4.484) 7.231 6.398 ( -0.601 1.651 -3.802) 4.188 7.351 ( 1.120 -1.427 -13.438) 13.560 7.893 ( 1.264 4.959 -3.318) 6.099 8.554 ( -0.242 -4.256 11.526) 12.289 8.797 ( -10.355 0.716 2.128) 10.596 10.019 ( 12.218 3.476 2.352) 12.919 11.402 ( -11.032 -4.715 11.664) 16.733 11.716 ( -0.439 -1.782 -2.649) 3.223 12.241 ( 4.538 1.111 -12.558) 13.399 13.062 ( 21.772 3.241 -14.559) 26.391 13.777 ( 0.435 2.305 0.782) 2.473 14.077 ( 5.693 -4.407 -9.004) 11.529 20.555 ( -21.726 -10.822 37.736) 44.868 22.469 ( 14.172 -8.381 -26.016) 30.788 24.489 ( -15.528 6.850 8.030) 18.776 25.188 ( -0.727 3.439 6.679) 7.547 ======================= Grid point 611 (303/433) ======================= q-point: ( 0.33 0.17 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -15.319 2.141 -23.468) 28.107 3.417 ( -16.350 25.174 37.991) 48.419 4.110 ( 7.317 5.882 -6.669) 11.516 4.776 ( 5.783 11.219 -12.520) 17.778 5.197 ( -12.439 -16.226 21.198) 29.451 5.340 ( 5.811 1.297 -0.208) 5.958 5.768 ( 3.869 -5.334 -8.165) 10.492 6.177 ( -11.669 -4.394 -9.130) 15.454 6.398 ( 2.758 -0.914 2.742) 3.996 7.319 ( -1.472 -4.713 -13.683) 14.547 7.792 ( 2.026 7.647 0.562) 7.930 8.706 ( -0.408 -6.420 10.973) 12.720 8.720 ( -7.810 0.997 5.241) 9.458 10.051 ( 8.263 4.389 1.131) 9.424 11.460 ( -9.075 -6.044 8.003) 13.526 11.746 ( 0.090 -2.780 -0.693) 2.866 12.192 ( 3.744 1.729 -10.655) 11.425 13.067 ( 16.462 6.966 -15.756) 23.827 13.745 ( -0.167 1.379 0.897) 1.654 14.187 ( 4.707 -6.402 -3.860) 8.834 20.826 ( -21.423 -20.159 36.463) 46.850 22.652 ( 13.742 -14.189 -25.321) 32.115 24.246 ( -13.202 12.078 10.594) 20.794 25.126 ( -0.270 6.425 3.178) 7.173 ======================= Grid point 612 (304/433) ======================= q-point: ( 0.42 0.17 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -3.513 4.862 -15.157) 16.301 3.085 ( -14.587 18.002 30.010) 37.914 3.918 ( 9.109 17.733 -15.904) 25.503 4.632 ( 3.362 3.252 -8.866) 10.024 5.344 ( -4.201 0.887 8.214) 9.269 5.424 ( -3.012 -6.409 9.440) 11.801 5.839 ( 9.883 -1.611 -7.892) 12.750 6.061 ( -12.402 -1.376 -8.698) 15.210 6.501 ( 2.992 -7.133 -1.092) 7.812 7.327 ( 4.181 -1.335 -12.929) 13.654 7.712 ( -3.683 0.449 4.754) 6.030 8.668 ( -6.073 2.342 7.841) 10.191 8.874 ( -0.706 -6.935 10.362) 12.489 10.048 ( 3.082 2.182 0.205) 3.782 11.512 ( -6.308 -3.951 4.850) 8.884 11.795 ( 0.268 -2.984 -0.250) 3.006 12.133 ( 2.323 2.442 -8.413) 9.063 12.965 ( 11.124 9.493 -14.985) 20.938 13.754 ( -0.593 -1.535 3.603) 3.961 14.316 ( 2.513 -5.775 -0.369) 6.309 21.229 ( -20.846 -26.777 34.275) 48.233 22.904 ( 12.514 -15.898 -22.311) 30.118 23.966 ( -10.181 15.143 11.943) 21.808 25.006 ( 1.317 8.404 -1.845) 8.705 ======================= Grid point 613 (305/433) ======================= q-point: ( 0.50 0.17 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 9.796 7.665 -3.755) 12.993 2.907 ( -8.534 4.261 15.245) 17.983 3.551 ( 12.368 24.587 -19.067) 33.481 4.609 ( -0.515 -2.753 -4.755) 5.518 5.248 ( -6.494 7.459 4.080) 10.698 5.548 ( 0.540 -5.139 5.943) 7.875 5.812 ( -8.493 2.511 -9.160) 12.741 6.025 ( 7.307 -1.535 1.540) 7.624 6.660 ( 4.535 -9.126 -5.767) 11.709 7.239 ( 8.258 10.739 -9.329) 16.449 7.815 ( -6.644 -14.096 4.805) 16.307 8.606 ( -4.894 4.559 9.133) 11.321 9.031 ( -1.318 -5.910 9.364) 11.151 10.038 ( -2.714 -0.971 -1.303) 3.163 11.527 ( -4.049 -0.308 4.961) 6.411 11.853 ( 1.056 -3.990 -2.120) 4.640 12.057 ( 0.675 3.130 -6.777) 7.495 12.802 ( 6.851 9.924 -12.667) 17.489 13.817 ( -1.108 -3.311 6.150) 7.072 14.411 ( -0.539 -3.519 2.242) 4.207 21.709 ( -19.910 -30.050 31.159) 47.648 23.117 ( 5.692 -5.963 -9.442) 12.535 23.724 ( -2.261 8.651 4.624) 10.067 24.851 ( 3.624 9.328 -7.711) 12.633 ======================= Grid point 614 (306/433) ======================= q-point: (-0.42 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 20.003 7.956 8.325) 23.081 2.960 ( -0.151 -9.683 -1.781) 9.846 3.135 ( 12.856 24.979 -16.238) 32.448 4.656 ( -3.095 -6.876 -2.123) 7.834 5.058 ( -6.308 8.739 1.154) 10.839 5.601 ( -11.556 0.990 -12.537) 17.079 5.701 ( 2.999 -4.325 9.478) 10.841 6.142 ( 11.832 2.626 8.122) 14.590 6.812 ( 5.286 -7.718 -8.868) 12.890 7.053 ( 6.709 13.731 -4.406) 15.905 8.061 ( -4.125 -16.794 2.840) 17.525 8.526 ( -3.441 6.049 9.187) 11.526 9.141 ( -2.239 -3.196 7.750) 8.677 10.007 ( -8.623 -2.661 -3.730) 9.764 11.515 ( -1.829 1.953 7.207) 7.687 11.927 ( 2.193 -5.090 -4.551) 7.171 11.972 ( -0.793 2.657 -5.392) 6.063 12.628 ( 3.715 8.800 -9.901) 13.758 13.899 ( -1.160 -2.727 7.623) 8.179 14.444 ( -3.741 -0.547 4.019) 5.518 22.205 ( -18.361 -29.586 27.163) 44.162 22.993 ( -7.858 18.961 15.375) 25.645 23.786 ( 11.063 -11.548 -13.593) 20.988 24.677 ( 5.920 9.250 -13.761) 17.606 ======================= Grid point 615 (307/433) ======================= q-point: (-0.33 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 23.936 6.232 17.765) 30.453 2.727 ( 11.302 23.219 -8.110) 27.067 3.253 ( 5.498 -22.793 -14.137) 27.379 4.738 ( -6.508 -6.316 -2.742) 9.474 4.890 ( -3.313 3.239 0.906) 4.721 5.411 ( -10.712 0.933 -9.958) 14.656 5.902 ( 7.651 -7.032 8.366) 13.341 6.224 ( 11.442 6.916 12.378) 18.220 6.811 ( 3.377 10.799 -5.951) 12.784 6.963 ( 6.021 -2.196 -4.543) 7.855 8.303 ( -2.470 -12.942 0.918) 13.207 8.452 ( -1.130 5.448 8.964) 10.550 9.176 ( -3.393 0.415 5.719) 6.663 9.923 ( -13.577 -2.714 -6.564) 15.323 11.520 ( 1.160 2.136 9.112) 9.431 11.906 ( -1.523 0.589 -3.427) 3.796 12.012 ( 3.117 -5.274 -6.215) 8.727 12.469 ( 1.212 6.947 -7.352) 10.188 13.961 ( -0.420 -0.083 8.165) 8.176 14.407 ( -6.230 2.068 4.531) 7.977 22.538 ( -13.905 13.160 23.952) 30.663 22.726 ( -13.002 -11.418 21.497) 27.597 24.050 ( 12.653 -14.160 -14.425) 23.847 24.504 ( 6.976 7.193 -18.723) 21.236 ======================= Grid point 616 (308/433) ======================= q-point: (-0.25 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 2.919 14.252 6.298) 15.852 2.792 ( 25.912 2.957 23.596) 35.171 3.652 ( 6.379 -27.248 -19.710) 34.230 4.637 ( -7.006 3.197 -6.897) 10.338 4.980 ( -2.094 -11.067 1.326) 11.341 5.287 ( -5.087 -1.331 -8.388) 9.900 6.137 ( 6.829 -5.027 7.940) 11.618 6.255 ( 10.100 8.786 14.051) 19.407 6.611 ( 2.642 11.962 -0.214) 12.252 7.027 ( 4.647 -2.363 -6.891) 8.641 8.389 ( 1.362 2.152 4.658) 5.309 8.481 ( -2.142 -4.075 4.014) 6.108 9.141 ( -4.180 1.794 3.875) 5.976 9.784 ( -16.081 -2.039 -9.030) 18.555 11.563 ( 3.871 1.612 8.901) 9.839 11.900 ( -0.314 -2.463 -0.309) 2.502 12.085 ( 3.962 -3.291 -7.057) 8.737 12.338 ( -1.093 4.177 -5.408) 6.920 13.975 ( 0.032 3.796 8.415) 9.232 14.322 ( -6.442 3.154 3.145) 7.832 22.108 ( -14.254 29.944 28.448) 43.693 23.029 ( -8.278 -14.714 11.849) 20.626 24.289 ( 7.819 -7.787 -12.959) 17.021 24.407 ( 7.185 -4.416 -16.744) 18.748 ======================= Grid point 617 (309/433) ======================= q-point: (-0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -5.217 -1.235 22.861) 23.481 3.122 ( 22.186 0.944 25.801) 34.041 4.025 ( 1.963 -22.251 -16.588) 27.823 4.490 ( -4.446 1.092 -12.346) 13.168 5.167 ( -2.014 -12.851 -2.308) 13.211 5.289 ( 2.892 -4.904 -6.547) 8.676 6.149 ( -7.348 8.726 13.505) 17.678 6.247 ( 9.627 13.140 7.680) 18.009 6.574 ( 7.336 -2.388 1.835) 7.930 7.060 ( 5.102 -1.675 -7.363) 9.113 8.408 ( 5.666 2.686 5.819) 8.554 8.474 ( -6.540 2.362 2.162) 7.282 9.120 ( -2.654 -1.329 3.710) 4.751 9.611 ( -15.553 -1.179 -10.137) 18.602 11.617 ( 3.001 1.237 6.931) 7.654 11.981 ( 4.827 -3.042 1.341) 5.861 12.097 ( 2.978 1.019 -4.940) 5.857 12.271 ( -0.525 -1.165 -5.495) 5.642 13.922 ( -1.695 6.774 8.383) 10.910 14.235 ( -2.578 2.888 -0.025) 3.871 21.621 ( -16.465 29.873 32.129) 46.859 23.127 ( 2.914 2.725 -5.481) 6.780 24.355 ( -5.299 -12.048 -8.709) 15.783 24.595 ( 8.783 -10.684 -7.270) 15.625 ======================= Grid point 618 (310/433) ======================= q-point: (-0.08 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -10.556 -15.592 35.412) 40.107 3.423 ( 15.647 0.009 22.546) 27.444 4.174 ( -6.019 -4.729 -13.731) 15.720 4.454 ( 1.612 -8.381 -10.150) 13.261 5.339 ( 4.475 -7.951 -9.702) 13.318 5.388 ( -0.061 -6.663 -3.023) 7.317 5.943 ( -14.836 7.970 11.465) 20.374 6.146 ( 8.952 14.535 11.629) 20.655 6.674 ( 1.353 -2.615 -1.825) 3.464 7.127 ( 10.103 -3.427 -9.344) 14.182 8.333 ( -9.244 5.266 1.231) 10.709 8.447 ( 5.253 2.929 4.280) 7.382 9.172 ( -3.355 -3.730 4.894) 7.008 9.459 ( -8.643 -1.591 -7.485) 11.543 11.636 ( -1.344 2.363 6.581) 7.120 11.964 ( -0.089 4.477 -3.994) 6.000 12.202 ( 8.321 -5.834 -0.167) 10.164 12.292 ( 7.804 -1.769 -6.093) 10.057 13.828 ( -3.058 5.854 6.758) 9.450 14.175 ( 2.270 3.101 -3.362) 5.106 21.162 ( -18.631 26.490 35.000) 47.685 22.967 ( 10.791 13.533 -19.497) 26.071 24.513 ( -12.753 -17.670 -0.515) 21.797 24.803 ( 6.205 -8.654 -2.011) 10.836 ======================= Grid point 622 (311/433) ======================= q-point: ( 0.25 0.25 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -14.229 -0.000 -23.962) 27.868 4.140 ( 9.291 0.000 0.915) 9.336 4.194 ( -12.128 -0.000 37.253) 39.178 4.547 ( -22.013 -0.000 21.246) 30.594 5.229 ( 8.246 0.000 4.784) 9.533 5.330 ( 6.816 0.000 -15.584) 17.009 5.524 ( -4.330 -0.000 -0.074) 4.331 6.053 ( -8.805 -0.000 -14.529) 16.989 6.436 ( 1.810 0.000 3.609) 4.037 7.224 ( -7.045 -0.000 -14.164) 15.819 7.989 ( 10.704 0.000 -3.713) 11.329 8.572 ( -1.968 -0.000 13.104) 13.251 8.734 ( -8.196 -0.000 4.117) 9.172 10.150 ( 9.170 0.000 -1.806) 9.346 11.320 ( -12.481 -0.000 13.633) 18.483 11.691 ( 1.000 0.000 -1.352) 1.682 12.221 ( 5.231 0.000 -14.408) 15.329 13.186 ( 18.618 0.000 -18.149) 26.000 13.820 ( 0.800 0.000 1.544) 1.740 14.034 ( 7.329 0.000 -10.578) 12.869 20.468 ( -22.182 -0.000 37.942) 43.951 22.385 ( 14.343 0.000 -25.914) 29.619 24.460 ( -13.899 -0.000 9.621) 16.904 25.241 ( -2.662 -0.000 7.195) 7.672 ======================= Grid point 623 (312/433) ======================= q-point: ( 0.33 0.25 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -0.809 1.126 -15.667) 15.728 3.909 ( -18.324 26.290 36.597) 48.644 4.198 ( 5.549 1.894 -5.748) 8.211 4.740 ( -13.119 -14.306 9.503) 21.611 5.132 ( 3.536 7.536 6.475) 10.546 5.412 ( 10.384 0.227 -4.994) 11.525 5.594 ( -0.768 -10.524 -4.816) 11.599 5.935 ( -9.871 -4.731 -13.155) 17.113 6.453 ( 1.209 1.636 3.826) 4.333 7.105 ( -8.164 -4.055 -13.220) 16.058 8.009 ( 11.818 7.895 -2.445) 14.421 8.658 ( -3.891 -3.467 12.517) 13.558 8.703 ( -4.487 -0.903 6.678) 8.096 10.165 ( 4.419 3.041 -5.033) 7.355 11.323 ( -11.786 -4.706 12.385) 17.732 11.717 ( 1.657 -1.537 0.855) 2.416 12.184 ( 5.157 0.668 -14.066) 14.996 13.201 ( 14.454 3.703 -20.044) 24.988 13.799 ( 1.427 3.112 0.381) 3.444 14.105 ( 6.956 -5.270 -7.010) 11.194 20.564 ( -22.299 -10.756 37.417) 44.866 22.447 ( 14.360 -8.199 -25.711) 30.570 24.348 ( -11.582 6.090 11.696) 17.551 25.217 ( -3.292 3.462 5.265) 7.109 ======================= Grid point 624 (313/433) ======================= q-point: ( 0.42 0.25 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 13.775 3.519 -6.129) 15.482 3.481 ( -20.407 25.077 34.627) 47.374 4.126 ( 5.110 7.577 -10.495) 13.917 4.689 ( 0.494 5.512 -13.178) 14.293 5.260 ( -5.511 -7.600 20.224) 22.297 5.448 ( 2.899 0.852 0.310) 3.037 5.755 ( 5.798 -10.343 -8.970) 14.868 5.854 ( -10.690 -2.911 -9.637) 14.684 6.474 ( 2.995 -1.011 1.782) 3.629 7.097 ( -5.807 -10.268 -10.081) 15.517 7.924 ( 10.344 12.364 -0.306) 16.124 8.676 ( -6.616 0.086 10.436) 12.356 8.814 ( -0.623 -5.989 9.774) 11.480 10.089 ( -0.946 3.377 -7.090) 7.910 11.386 ( -8.951 -6.533 8.839) 14.175 11.771 ( 1.223 -1.691 2.909) 3.580 12.137 ( 3.925 1.448 -12.150) 12.850 13.111 ( 10.430 7.221 -19.573) 23.325 13.777 ( 1.689 1.412 1.786) 2.835 14.230 ( 4.532 -6.214 -4.210) 8.768 20.825 ( -22.156 -19.927 36.112) 46.820 22.633 ( 14.301 -14.245 -24.824) 31.995 24.176 ( -8.951 11.166 13.777) 19.864 25.125 ( -2.495 6.241 1.397) 6.865 ======================= Grid point 625 (314/433) ======================= q-point: ( 0.50 0.25 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 24.057 6.116 2.464) 24.944 3.099 ( -17.976 17.995 26.753) 36.914 3.917 ( 9.590 16.294 -15.244) 24.287 4.558 ( -0.064 1.745 -10.601) 10.744 5.313 ( -5.359 4.703 5.345) 8.911 5.488 ( -2.555 -4.753 1.566) 5.618 5.720 ( -10.316 1.732 -2.050) 10.659 5.970 ( 6.318 -11.475 -2.926) 13.422 6.576 ( 6.935 -5.003 -1.022) 8.612 7.210 ( -1.443 -11.119 -9.602) 14.762 7.816 ( 8.531 9.876 4.230) 13.719 8.663 ( -6.539 1.799 11.588) 13.426 8.962 ( -1.444 -6.359 8.445) 10.670 9.973 ( -5.997 1.235 -8.442) 10.428 11.465 ( -5.232 -5.393 5.909) 9.559 11.822 ( 0.846 -1.232 3.262) 3.588 12.070 ( 1.706 2.517 -9.835) 10.295 12.946 ( 6.902 9.237 -17.281) 20.775 13.807 ( 0.834 -1.413 4.601) 4.885 14.338 ( 1.245 -5.197 -1.972) 5.697 21.214 ( -21.686 -26.384 33.957) 48.161 22.898 ( 13.214 -16.161 -21.775) 30.166 23.966 ( -5.701 14.414 14.546) 21.256 24.982 ( -0.560 8.042 -3.718) 8.878 ======================= Grid point 626 (315/433) ======================= q-point: ( 0.58 0.25 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 26.504 8.617 10.536) 29.795 2.879 ( -10.196 3.321 12.542) 16.501 3.601 ( 14.689 23.204 -16.778) 32.182 4.510 ( -3.625 -3.693 -7.548) 9.152 5.150 ( -5.942 8.574 0.366) 10.438 5.431 ( -11.455 -0.220 -12.027) 16.611 5.719 ( 0.617 -3.283 12.988) 13.411 6.199 ( 5.100 -8.871 2.446) 10.520 6.728 ( 8.477 -5.126 -3.077) 10.373 7.248 ( 4.284 2.832 -10.615) 11.792 7.870 ( 5.911 -4.880 8.761) 11.641 8.618 ( -6.609 3.652 11.243) 13.543 9.087 ( -2.728 -5.419 6.929) 9.210 9.848 ( -10.471 -0.940 -9.469) 14.149 11.534 ( -1.740 -2.765 5.898) 6.742 11.870 ( 1.286 -1.979 1.314) 2.701 11.977 ( -0.647 3.055 -7.735) 8.342 12.750 ( 3.985 9.213 -14.380) 17.537 13.884 ( -0.136 -3.166 7.382) 8.033 14.398 ( -2.254 -2.794 0.138) 3.592 21.677 ( -20.658 -29.652 30.961) 47.587 23.120 ( 5.818 -6.257 -9.233) 12.580 23.790 ( 2.475 8.385 6.763) 11.053 24.807 ( 1.906 9.065 -9.476) 13.251 ======================= Grid point 627 (316/433) ======================= q-point: (-0.33 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 5.378 -3.031 4.115) 7.419 2.993 ( 16.366 0.198 8.224) 18.317 3.239 ( 17.292 24.516 -12.985) 32.690 4.517 ( -7.649 -7.237 -8.213) 13.354 4.961 ( -3.620 7.249 0.001) 8.103 5.264 ( -10.866 -0.145 -9.253) 14.273 5.901 ( 5.216 -6.352 11.302) 13.975 6.373 ( 2.545 -4.350 6.297) 8.065 6.847 ( 8.066 -2.111 -6.021) 10.284 7.125 ( 6.326 9.861 -6.014) 13.169 8.118 ( 5.714 -10.424 7.741) 14.186 8.551 ( -5.977 3.781 9.599) 11.923 9.164 ( -3.510 -2.729 5.700) 7.229 9.704 ( -14.195 -1.589 -9.907) 17.383 11.598 ( 1.358 -0.676 8.013) 8.155 11.883 ( -1.989 1.685 -5.595) 6.172 11.931 ( 2.051 -3.568 -1.892) 4.530 12.559 ( 1.876 7.943 -11.661) 14.233 13.981 ( -0.156 -2.855 9.124) 9.562 14.390 ( -5.518 0.253 1.849) 5.825 22.163 ( -18.737 -29.458 27.213) 44.265 23.021 ( -6.909 17.191 14.150) 23.313 23.881 ( 13.789 -9.673 -10.837) 20.029 24.609 ( 4.132 9.489 -15.280) 18.455 ======================= Grid point 628 (317/433) ======================= q-point: (-0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 10.971 23.468 -5.425) 26.468 3.046 ( 7.539 -13.433 -5.073) 16.218 3.321 ( 18.108 -4.871 9.843) 21.178 4.475 ( -11.688 -4.452 -13.708) 18.556 4.898 ( 1.665 -0.626 3.180) 3.644 5.159 ( -6.071 -2.432 -7.315) 9.812 6.127 ( 5.287 -6.779 9.031) 12.468 6.454 ( -1.598 0.175 8.901) 9.045 6.840 ( 9.496 8.276 -7.986) 14.915 7.031 ( 4.251 3.149 -3.239) 6.203 8.354 ( 4.629 -5.909 6.082) 9.661 8.508 ( -3.548 0.949 7.923) 8.733 9.174 ( -3.100 1.342 5.534) 6.483 9.539 ( -16.101 -1.826 -9.335) 18.700 11.661 ( 1.812 0.815 7.828) 8.076 11.852 ( 0.597 -2.237 -1.123) 2.573 12.006 ( 2.833 -4.759 -4.978) 7.447 12.389 ( 0.342 6.487 -9.488) 11.499 14.065 ( 0.868 -0.081 9.687) 9.726 14.315 ( -7.940 2.325 2.559) 8.660 22.550 ( -13.563 0.053 23.937) 27.512 22.723 ( -13.118 0.547 21.588) 25.267 24.148 ( 14.211 -12.268 -13.205) 22.953 24.402 ( 5.257 7.835 -19.782) 21.917 ======================= Grid point 629 (318/433) ======================= q-point: (-0.17 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 4.054 13.707 6.445) 15.680 3.341 ( 9.057 -12.512 -0.918) 15.474 3.633 ( 8.281 -12.473 2.260) 15.141 4.346 ( -6.759 -1.956 -16.631) 18.058 4.997 ( 0.838 -5.848 2.437) 6.391 5.178 ( 2.026 -6.823 -5.805) 9.184 6.226 ( -6.206 3.321 6.629) 9.669 6.492 ( 0.757 -1.470 9.944) 10.081 6.716 ( 10.655 11.594 -4.755) 16.449 7.022 ( 2.381 -1.493 -7.212) 7.740 8.438 ( -0.873 0.945 4.437) 4.620 8.538 ( 0.148 -0.122 5.768) 5.772 9.147 ( -1.942 2.297 7.283) 7.879 9.389 ( -12.862 -2.093 -7.109) 14.845 11.678 ( -1.818 0.685 4.965) 5.331 11.967 ( 7.159 -4.935 3.266) 9.288 12.081 ( 3.944 -3.551 -6.900) 8.705 12.249 ( -0.153 3.490 -7.482) 8.257 14.070 ( -1.663 6.474 9.148) 11.329 14.233 ( -4.875 0.280 1.959) 5.261 22.162 ( -14.029 30.037 28.450) 43.686 23.007 ( -8.779 -16.144 12.707) 22.342 24.185 ( 2.046 2.967 -18.671) 19.015 24.448 ( 11.775 -11.715 -10.831) 19.829 ======================= Grid point 630 (319/433) ======================= q-point: (-0.08 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -4.245 -2.761 22.442) 23.007 3.576 ( 3.123 -5.783 5.713) 8.709 3.856 ( -5.525 -14.732 -15.927) 22.388 4.308 ( 7.404 -4.063 -9.971) 13.067 5.116 ( -1.014 -8.149 -1.389) 8.328 5.343 ( 8.813 -8.113 -4.000) 12.629 6.026 ( -14.570 10.436 7.376) 19.381 6.522 ( 5.607 11.970 9.904) 16.517 6.629 ( 0.735 -0.205 -6.001) 6.049 7.071 ( 6.204 -5.592 -9.182) 12.412 8.336 ( -9.185 6.782 0.921) 11.455 8.577 ( 3.324 0.956 5.514) 6.509 9.108 ( -10.823 0.615 2.279) 11.078 9.364 ( 3.676 -3.070 3.281) 5.805 11.672 ( -3.654 0.483 5.178) 6.356 12.019 ( 0.889 5.087 -6.581) 8.366 12.138 ( 2.451 -4.798 -2.590) 5.978 12.302 ( 13.194 -6.517 -3.162) 15.052 13.943 ( -5.755 7.706 6.599) 11.664 14.223 ( 1.413 1.391 0.985) 2.213 21.670 ( -16.749 30.248 32.098) 47.178 23.122 ( 3.504 2.902 -6.179) 7.673 24.139 ( -8.238 -10.334 -7.039) 14.973 24.689 ( 8.895 -10.481 -5.783) 14.914 ======================= Grid point 635 (320/433) ======================= q-point: ( 0.33 0.33 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 16.270 0.000 -6.200) 17.411 4.214 ( 0.821 0.000 -6.727) 6.777 4.301 ( -18.335 -0.000 31.635) 36.564 4.397 ( -18.321 -0.000 20.652) 27.607 5.306 ( -0.002 -0.000 -5.934) 5.934 5.428 ( 6.422 0.000 6.127) 8.876 5.503 ( 11.428 0.000 -9.639) 14.950 5.727 ( -8.190 -0.000 -13.646) 15.915 6.490 ( -0.591 -0.000 3.101) 3.157 6.925 ( -7.257 -0.000 -12.715) 14.640 8.187 ( 13.745 0.000 -3.393) 14.158 8.664 ( -4.216 -0.000 13.611) 14.249 8.691 ( -3.897 -0.000 8.028) 8.924 10.169 ( -0.387 -0.000 -9.934) 9.941 11.240 ( -13.002 -0.000 14.485) 19.464 11.735 ( 2.810 0.000 2.765) 3.942 12.159 ( 6.235 0.000 -15.777) 16.965 13.238 ( 12.082 0.000 -22.003) 25.102 13.843 ( 0.381 0.000 0.605) 0.715 14.088 ( 9.474 0.000 -8.953) 13.035 20.471 ( -22.729 -0.000 37.571) 43.912 22.368 ( 14.578 0.000 -25.556) 29.422 24.371 ( -9.317 -0.000 13.118) 16.089 25.237 ( -5.019 -0.000 5.083) 7.143 ======================= Grid point 636 (321/433) ======================= q-point: ( 0.42 0.33 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 28.090 2.562 1.127) 28.229 3.889 ( -23.708 24.144 30.707) 45.694 4.181 ( 0.818 2.571 -7.383) 7.860 4.573 ( -13.120 -9.201 3.285) 16.358 5.260 ( -2.844 -1.856 10.141) 10.695 5.466 ( -2.296 2.496 -4.388) 5.546 5.625 ( 9.088 -5.982 -0.341) 10.886 5.677 ( 1.499 -4.447 -13.824) 14.599 6.494 ( 0.483 -0.237 1.467) 1.563 6.856 ( -3.888 -5.682 -9.949) 12.099 8.214 ( 12.540 8.610 -1.567) 15.292 8.680 ( -5.849 0.289 12.054) 13.401 8.767 ( -1.224 -4.605 9.657) 10.768 10.058 ( -5.025 2.368 -13.018) 14.154 11.247 ( -11.724 -5.037 13.275) 18.413 11.790 ( 2.643 -0.703 4.956) 5.660 12.125 ( 6.101 0.746 -15.309) 16.497 13.184 ( 9.742 3.858 -21.959) 24.331 13.829 ( 0.994 1.796 0.393) 2.090 14.160 ( 7.300 -3.964 -8.026) 11.550 20.558 ( -22.873 -10.593 37.014) 44.782 22.434 ( 14.834 -8.286 -25.187) 30.383 24.325 ( -6.736 5.656 14.808) 17.224 25.183 ( -5.154 3.286 2.806) 6.726 ======================= Grid point 637 (322/433) ======================= q-point: ( 0.50 0.33 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 31.132 5.505 5.963) 32.172 3.430 ( -23.333 23.409 30.055) 44.673 4.082 ( 2.059 5.154 -9.390) 10.908 4.513 ( -5.325 0.936 -10.685) 11.975 5.332 ( -10.392 -2.992 -5.997) 12.366 5.409 ( -0.395 1.357 14.050) 14.120 5.660 ( -2.881 -0.709 -3.491) 4.581 5.806 ( 5.916 -9.110 -2.794) 11.216 6.563 ( 6.002 -4.264 -0.111) 7.363 6.938 ( -0.527 -11.359 -7.429) 13.583 8.146 ( 13.112 12.204 2.135) 18.040 8.684 ( -7.347 0.512 12.682) 14.665 8.889 ( -1.754 -5.226 7.650) 9.430 9.878 ( -8.058 2.286 -14.331) 16.599 11.331 ( -8.323 -7.606 10.102) 15.138 11.850 ( 1.707 -0.161 6.425) 6.650 12.072 ( 4.352 2.108 -13.359) 14.207 13.049 ( 7.111 7.291 -20.598) 22.978 13.825 ( 0.882 0.118 2.147) 2.324 14.248 ( 3.465 -4.975 -6.212) 8.680 20.807 ( -22.754 -19.571 35.735) 46.667 22.634 ( 15.035 -14.510 -24.148) 31.933 24.221 ( -4.098 10.701 16.163) 19.813 25.068 ( -3.803 5.853 -1.016) 7.054 ======================= Grid point 638 (323/433) ======================= q-point: (-0.42 -0.67 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -20.348 15.596 23.748) 34.947 3.186 ( 28.470 8.187 8.996) 30.959 3.940 ( 8.331 11.004 -11.061) 17.687 4.384 ( -4.991 0.521 -12.884) 13.827 5.209 ( -10.142 1.482 -3.881) 10.960 5.325 ( -2.139 8.717 -6.648) 11.170 5.723 ( -2.747 -5.202 15.116) 16.220 6.022 ( 1.680 -13.114 -1.617) 13.320 6.721 ( 8.610 -5.440 -0.095) 10.185 7.101 ( 0.763 -10.897 -8.779) 14.014 8.107 ( 15.958 9.827 8.279) 20.489 8.654 ( -9.546 1.930 11.312) 14.927 8.989 ( -4.417 -5.596 5.878) 9.240 9.696 ( -8.594 0.876 -13.806) 16.286 11.452 ( -3.996 -7.497 7.079) 11.058 11.895 ( 1.110 0.575 6.424) 6.544 11.985 ( 1.573 3.479 -10.758) 11.415 12.853 ( 4.201 8.877 -18.249) 20.724 13.870 ( -0.146 -2.528 5.444) 6.004 14.315 ( -0.171 -4.219 -3.973) 5.797 21.182 ( -22.180 -25.958 33.663) 47.948 22.910 ( 13.502 -15.972 -20.766) 29.473 24.072 ( -0.785 13.870 15.602) 20.890 24.910 ( -1.476 7.674 -5.789) 9.725 ======================= Grid point 639 (324/433) ======================= q-point: (-0.33 -0.67 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -14.851 4.134 11.274) 19.098 3.363 ( 21.363 6.342 12.422) 25.513 3.723 ( 16.660 20.106 -12.940) 29.142 4.277 ( -8.659 -4.067 -13.987) 16.946 5.062 ( -4.033 6.487 -0.529) 7.656 5.128 ( -7.338 2.580 -7.415) 10.747 5.899 ( 2.262 -6.226 13.311) 14.868 6.235 ( -1.596 -11.915 -0.671) 12.040 6.872 ( 7.858 -2.926 -0.010) 8.385 7.170 ( 0.167 -2.577 -10.565) 10.877 8.222 ( 17.450 2.211 13.686) 22.287 8.569 ( -11.326 2.251 6.957) 13.482 9.064 ( -7.195 -5.924 5.153) 10.650 9.543 ( -6.827 0.935 -11.027) 13.003 11.584 ( -0.137 -6.056 5.638) 8.275 11.870 ( -1.162 2.996 -7.794) 8.431 11.932 ( 1.576 0.635 4.705) 5.003 12.641 ( 2.038 8.244 -15.295) 17.495 13.962 ( -1.076 -4.295 8.516) 9.598 14.337 ( -3.280 -1.791 -1.600) 4.065 21.635 ( -20.863 -29.394 30.806) 47.416 23.127 ( 5.476 -5.866 -8.321) 11.560 23.952 ( 6.768 8.416 6.807) 12.766 24.720 ( 1.134 9.077 -11.023) 14.325 ======================= Grid point 640 (325/433) ======================= q-point: (-0.25 -0.67 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -6.311 -10.788 -3.419) 12.957 3.310 ( 12.377 23.452 -7.676) 27.606 3.597 ( 12.849 5.447 8.742) 16.468 4.210 ( -5.386 -5.322 -15.187) 16.970 4.966 ( 2.318 3.614 3.178) 5.342 5.025 ( -6.441 -1.901 -5.665) 8.786 6.107 ( 3.500 -6.733 10.747) 13.156 6.370 ( -4.228 -7.469 -1.111) 8.654 6.946 ( 5.456 1.312 -1.435) 5.792 7.102 ( -0.400 2.889 -9.385) 9.828 8.438 ( 8.060 -1.984 12.466) 14.977 8.480 ( -4.091 1.052 3.514) 5.495 9.110 ( -9.676 -5.058 4.797) 11.925 9.420 ( -2.529 2.899 -5.260) 6.517 11.682 ( -2.396 -1.450 2.802) 3.962 11.823 ( 3.447 -3.157 -2.878) 5.489 11.967 ( 1.881 -0.424 2.777) 3.381 12.450 ( 0.943 6.951 -12.582) 14.405 14.079 ( -1.285 -4.460 9.885) 10.920 14.295 ( -5.690 1.663 0.760) 5.976 22.119 ( -18.588 -29.729 27.251) 44.407 23.047 ( -6.331 15.429 12.630) 20.920 24.041 ( 15.307 -6.629 -9.176) 19.038 24.503 ( 3.399 10.187 -16.190) 19.428 ======================= Grid point 641 (326/433) ======================= q-point: (-0.17 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 4.341 1.821 -9.865) 10.930 2.972 ( 5.948 0.387 -10.639) 12.195 3.624 ( -11.205 -2.010 1.145) 11.441 4.234 ( 10.091 -2.362 -5.072) 11.538 4.970 ( -0.792 -0.972 0.066) 1.256 5.062 ( 4.352 -6.075 -0.268) 7.478 6.238 ( -4.912 0.022 6.444) 8.102 6.433 ( -1.910 -6.193 0.500) 6.500 6.909 ( 1.468 3.971 -5.143) 6.662 6.999 ( 1.047 3.148 -7.832) 8.506 8.455 ( -6.568 -4.417 1.666) 8.089 8.567 ( 5.513 4.180 7.068) 9.890 9.102 ( -11.519 -2.638 3.716) 12.388 9.375 ( 6.029 3.267 5.195) 8.603 11.655 ( -5.534 -0.776 1.230) 5.722 11.982 ( 9.000 -7.427 -2.603) 11.955 12.014 ( 3.017 -1.248 3.329) 4.663 12.285 ( 0.437 5.688 -10.287) 11.763 14.179 ( -7.430 -1.175 2.774) 8.017 14.197 ( -0.401 3.078 9.194) 9.704 22.562 ( -13.704 -15.186 23.532) 31.180 22.720 ( -13.104 14.431 21.729) 29.191 24.228 ( 7.992 4.842 -17.704) 20.019 24.317 ( 11.570 -5.519 -15.097) 19.805 ======================= Grid point 642 (327/433) ======================= q-point: (-0.08 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 3.151 11.972 5.312) 13.471 3.271 ( 2.443 -23.142 -17.500) 29.117 3.492 ( -20.474 -5.985 -14.335) 25.700 4.382 ( 14.929 0.075 4.537) 15.603 5.012 ( -0.333 -4.692 0.295) 4.713 5.260 ( 9.878 -8.875 -0.463) 13.287 6.085 ( -13.990 8.255 3.156) 16.547 6.517 ( -4.153 -4.301 -1.633) 6.198 6.810 ( 4.128 8.441 -2.950) 9.849 6.967 ( 2.794 -4.463 -8.749) 10.211 8.416 ( -6.055 8.550 2.329) 10.733 8.560 ( -2.046 -4.434 0.702) 4.934 9.038 ( -9.946 1.434 4.969) 11.210 9.475 ( 11.844 0.954 12.084) 16.948 11.639 ( -5.751 -1.763 3.089) 6.762 12.063 ( 0.954 -2.692 -3.349) 4.402 12.088 ( 3.338 4.305 -8.296) 9.924 12.281 ( 11.560 -7.751 -0.479) 13.927 14.032 ( -8.231 6.425 3.436) 10.993 14.267 ( 1.299 -0.105 7.330) 7.445 22.211 ( -14.601 30.282 28.094) 43.812 22.987 ( -9.205 -17.974 13.788) 24.452 24.010 ( 1.982 6.792 -19.037) 20.309 24.552 ( 11.710 -11.299 -10.102) 19.154 ======================= Grid point 648 (328/433) ======================= q-point: ( 0.42 0.42 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 35.184 0.000 4.097) 35.422 4.068 ( -12.096 -0.000 3.405) 12.566 4.221 ( -21.332 -0.000 21.493) 30.282 4.271 ( -13.963 -0.000 5.041) 14.845 5.195 ( -8.374 -0.000 1.836) 8.573 5.413 ( -11.350 -0.000 0.097) 11.350 5.663 ( 9.925 0.000 -1.420) 10.026 5.695 ( 17.980 0.000 -9.755) 20.456 6.488 ( -0.877 -0.000 -0.029) 0.878 6.741 ( 1.006 0.000 -8.640) 8.698 8.391 ( 10.639 0.000 -0.026) 10.639 8.702 ( -8.182 -0.000 13.033) 15.388 8.770 ( 2.722 0.000 8.460) 8.887 9.933 ( -8.378 -0.000 -16.719) 18.701 11.168 ( -12.387 -0.000 15.082) 19.517 11.845 ( 3.021 0.000 6.962) 7.590 12.108 ( 7.531 0.000 -16.539) 18.173 13.179 ( 8.566 0.000 -22.664) 24.228 13.848 ( -0.206 -0.000 0.058) 0.214 14.146 ( 7.923 0.000 -10.768) 13.369 20.460 ( -23.195 -0.000 37.135) 43.783 22.361 ( 15.036 0.000 -25.014) 29.185 24.408 ( -4.128 -0.000 16.029) 16.552 25.173 ( -6.261 -0.000 2.257) 6.655 ======================= Grid point 649 (329/433) ======================= q-point: (-0.50 -0.58 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 32.821 4.699 5.204) 33.562 3.746 ( -24.339 20.530 25.018) 40.494 4.059 ( -6.565 0.796 -7.249) 9.812 4.336 ( -14.661 -8.349 1.851) 16.972 5.156 ( -10.569 -2.628 -0.077) 10.891 5.378 ( -10.139 -7.174 9.685) 15.750 5.715 ( 14.149 6.305 -12.362) 19.819 5.782 ( 5.292 -1.277 3.017) 6.224 6.523 ( 3.071 -4.561 -1.716) 5.760 6.778 ( 5.585 -5.343 -6.853) 10.330 8.435 ( 10.262 6.213 4.367) 12.767 8.680 ( -10.756 0.069 12.150) 16.227 8.867 ( 3.366 -1.520 6.384) 7.376 9.742 ( -9.140 1.211 -17.767) 20.017 11.192 ( -10.496 -5.583 13.998) 18.365 11.912 ( 2.262 0.218 8.495) 8.793 12.076 ( 7.133 1.484 -15.749) 17.353 13.091 ( 6.580 4.016 -22.622) 23.899 13.840 ( -0.178 0.315 0.509) 0.624 14.174 ( 4.907 -2.876 -10.325) 11.788 20.539 ( -23.266 -10.370 36.603) 44.594 22.439 ( 15.438 -8.614 -24.602) 30.296 24.425 ( -1.522 5.620 17.086) 18.051 25.098 ( -5.710 2.995 0.052) 6.448 ======================= Grid point 650 (330/433) ======================= q-point: (-0.42 -0.58 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( -25.712 21.253 28.083) 43.605 3.591 ( 21.450 6.924 4.108) 22.911 3.959 ( -6.120 -1.628 -8.847) 10.880 4.316 ( -1.513 -0.014 -6.662) 6.832 5.074 ( -10.137 -0.810 -2.919) 10.580 5.517 ( -2.056 4.665 8.482) 9.896 5.600 ( -1.176 -4.527 -2.160) 5.152 5.885 ( 3.851 -4.442 1.350) 6.032 6.671 ( 6.104 -7.918 -1.646) 10.132 6.920 ( 7.038 -7.986 -7.611) 13.086 8.442 ( 7.803 7.064 9.874) 14.432 8.635 ( -9.226 0.955 8.508) 12.586 8.929 ( -0.221 -0.668 4.678) 4.731 9.564 ( -5.742 0.354 -15.225) 16.276 11.307 ( -6.763 -8.805 11.091) 15.694 11.965 ( 1.132 1.272 8.869) 9.031 12.008 ( 4.945 3.465 -13.406) 14.703 12.919 ( 3.718 7.155 -21.610) 23.065 13.854 ( -0.716 -1.571 2.966) 3.432 14.215 ( 1.446 -4.296 -7.848) 9.063 20.778 ( -23.030 -19.189 35.402) 46.388 22.653 ( 15.532 -14.801 -23.507) 31.826 24.375 ( 0.839 10.863 17.182) 20.345 24.973 ( -3.802 5.422 -3.326) 7.410 ======================= Grid point 651 (331/433) ======================= q-point: (-0.33 -0.58 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -23.903 15.458 22.526) 36.301 3.602 ( -5.194 2.952 1.587) 6.181 3.947 ( 8.660 -0.510 -5.573) 10.311 4.228 ( 9.741 9.162 -11.957) 17.939 4.985 ( -8.099 -0.305 -1.868) 8.317 5.285 ( 3.105 14.829 -4.316) 15.754 5.824 ( -5.901 -13.325 13.759) 20.042 6.020 ( 1.560 -8.407 -1.211) 8.635 6.851 ( 5.747 -7.190 -1.236) 9.287 7.041 ( 3.328 -4.820 -9.542) 11.196 8.395 ( -16.739 0.308 6.391) 17.920 8.636 ( 15.951 6.189 9.443) 19.543 8.956 ( -4.588 -2.229 5.672) 7.628 9.466 ( -0.698 -0.168 -10.044) 10.069 11.472 ( -2.601 -9.172 7.587) 12.184 11.886 ( 0.621 4.986 -9.817) 11.028 12.006 ( 1.661 1.647 7.849) 8.190 12.701 ( 1.423 7.610 -18.755) 20.290 13.916 ( -2.033 -4.069 6.385) 7.840 14.253 ( -1.062 -3.725 -4.826) 6.189 21.143 ( -22.204 -25.621 33.430) 47.613 22.933 ( 13.158 -15.373 -19.590) 28.164 24.268 ( 3.707 13.950 14.600) 20.531 24.811 ( -1.196 7.476 -7.415) 10.597 ======================= Grid point 652 (332/433) ======================= q-point: (-0.25 -0.58 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -16.611 2.950 10.938) 20.106 3.442 ( -21.923 -0.785 -5.473) 22.609 3.931 ( 16.875 19.093 -10.738) 27.651 4.150 ( 14.035 0.052 -4.675) 14.793 4.923 ( -5.131 -0.739 -1.425) 5.376 5.105 ( 3.186 8.023 1.925) 8.845 6.056 ( -2.127 -9.995 10.820) 14.882 6.167 ( -1.247 -9.297 -2.356) 9.672 6.985 ( 4.448 -3.792 -2.359) 6.303 7.015 ( -4.574 0.883 -10.284) 11.290 8.263 ( -18.945 -4.847 -1.547) 19.616 8.768 ( 19.387 6.998 12.307) 24.006 8.984 ( -7.267 -3.085 6.997) 10.549 9.446 ( 4.615 0.013 -3.029) 5.520 11.620 ( -2.222 -4.705 2.306) 5.691 11.783 ( 0.823 -0.291 -5.102) 5.176 12.035 ( 2.048 1.715 7.554) 8.013 12.498 ( 0.773 6.481 -15.163) 16.508 14.014 ( -3.938 -5.523 8.058) 10.533 14.265 ( -2.275 -1.348 -0.897) 2.792 21.592 ( -20.563 -29.305 30.677) 47.145 23.137 ( 4.854 -5.217 -7.267) 10.178 24.169 ( 9.586 9.287 4.803) 14.184 24.617 ( 1.468 9.407 -11.866) 15.213 ======================= Grid point 653 (333/433) ======================= q-point: (-0.17 -0.58 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -7.061 -11.744 -3.068) 14.043 3.185 ( -23.685 0.685 -11.379) 26.286 3.599 ( 11.226 22.870 -16.044) 30.107 4.334 ( 15.184 -3.282 4.905) 16.290 4.902 ( -2.095 -1.811 -2.446) 3.694 5.099 ( 5.830 0.593 6.818) 8.990 6.186 ( -7.170 -4.226 1.355) 8.433 6.306 ( 1.036 -7.325 3.456) 8.165 6.842 ( -11.414 1.452 -12.339) 16.871 7.030 ( 3.461 0.527 -4.352) 5.586 8.241 ( -10.253 -9.331 -2.051) 14.014 8.799 ( 6.146 9.948 4.831) 12.652 9.011 ( -5.187 -2.026 9.310) 10.848 9.530 ( 11.333 0.376 7.225) 13.446 11.590 ( -6.195 -0.180 -0.884) 6.260 11.890 ( 4.745 -7.118 -3.050) 9.082 12.084 ( 4.414 -0.229 7.610) 8.800 12.327 ( 0.810 5.778 -12.358) 13.666 14.088 ( -7.068 -3.736 4.351) 9.102 14.264 ( -0.994 0.290 6.452) 6.534 22.081 ( -18.108 -30.104 27.240) 44.455 23.064 ( -6.244 14.191 11.502) 19.304 24.223 ( 15.273 -3.076 -9.524) 18.260 24.390 ( 3.978 10.882 -16.123) 19.854 ======================= Grid point 654 (334/433) ======================= q-point: (-0.08 -0.58 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -2.904 -17.070 -13.195) 21.770 2.903 ( -13.536 -1.492 -13.596) 19.243 3.244 ( -0.000 14.473 -14.307) 20.351 4.547 ( 12.349 -1.207 8.613) 15.104 4.925 ( -0.328 -4.177 -1.551) 4.468 5.247 ( 9.894 -4.958 5.575) 12.392 6.084 ( -12.814 5.146 -0.922) 13.839 6.383 ( -7.284 -3.143 -2.615) 8.353 6.755 ( -1.990 -7.871 -8.732) 11.923 6.989 ( 3.085 4.336 -5.655) 7.765 8.340 ( -5.089 -9.657 0.796) 10.945 8.624 ( -2.863 12.282 -0.796) 12.636 9.038 ( -4.302 0.872 10.698) 11.563 9.687 ( 13.135 1.516 12.611) 18.272 11.556 ( -6.477 -2.437 1.737) 7.135 11.994 ( 2.350 -3.969 -4.615) 6.525 12.164 ( 2.353 6.030 -8.496) 10.681 12.253 ( 8.345 -6.656 2.197) 10.899 14.042 ( -8.224 2.042 1.943) 8.694 14.318 ( -0.054 -0.731 10.163) 10.190 22.561 ( -14.293 -26.154 23.115) 37.718 22.721 ( -12.889 24.251 21.805) 35.067 24.122 ( 5.627 12.633 -19.495) 23.902 24.425 ( 14.203 -9.376 -13.282) 21.588 ======================= Grid point 661 (335/433) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 30.419 0.000 0.193) 30.419 3.885 ( -12.997 -0.000 0.657) 13.013 3.955 ( -25.231 -0.000 7.123) 26.218 4.039 ( -19.504 -0.000 17.483) 26.193 5.067 ( -10.206 -0.000 6.801) 12.264 5.238 ( -8.472 -0.000 1.425) 8.591 5.827 ( 6.033 0.000 3.055) 6.762 5.876 ( 12.278 0.000 -7.996) 14.652 6.483 ( 3.702 0.000 -4.377) 5.732 6.773 ( 9.989 0.000 -6.236) 11.776 8.595 ( 6.886 0.000 9.238) 11.522 8.608 ( -17.502 -0.000 9.860) 20.088 8.962 ( 10.254 0.000 4.113) 11.048 9.569 ( -8.187 -0.000 -18.108) 19.873 11.126 ( -10.336 -0.000 15.540) 18.664 11.984 ( 1.875 0.000 9.607) 9.788 12.075 ( 8.410 0.000 -15.966) 18.046 13.052 ( 4.913 0.000 -23.899) 24.398 13.839 ( -0.793 -0.000 0.147) 0.806 14.128 ( 3.956 0.000 -12.319) 12.939 20.437 ( -23.420 -0.000 36.756) 43.584 22.370 ( 15.564 0.000 -24.450) 28.984 24.568 ( 1.279 0.000 17.770) 17.816 25.067 ( -6.075 -0.000 -0.440) 6.091 ======================= Grid point 662 (336/433) ======================= q-point: (-0.42 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( -26.897 21.450 25.288) 42.697 3.664 ( -21.669 0.918 -9.195) 23.557 3.916 ( 11.640 -0.192 -1.336) 11.718 4.224 ( 1.712 -10.466 6.929) 12.668 4.999 ( -7.910 1.432 4.175) 9.058 5.286 ( -10.372 -11.831 7.825) 17.573 5.824 ( 10.370 12.254 -8.558) 18.191 5.897 ( 3.159 -0.995 4.128) 5.292 6.574 ( 6.987 -7.172 -5.008) 11.196 6.869 ( 11.038 -3.640 -7.504) 13.834 8.446 ( -23.234 1.798 6.152) 24.102 8.721 ( 6.511 -0.536 13.017) 14.564 9.041 ( 10.757 4.661 2.130) 11.916 9.431 ( -3.641 -1.459 -14.224) 14.755 11.178 ( -7.979 -6.050 14.515) 17.634 12.042 ( 7.945 2.614 -15.327) 17.461 12.046 ( 0.393 0.923 10.686) 10.733 12.916 ( 2.057 3.955 -24.399) 24.803 13.837 ( -1.169 -0.719 1.184) 1.812 14.116 ( 1.626 -3.008 -10.562) 11.102 20.511 ( -23.347 -10.124 36.317) 44.346 22.459 ( 15.896 -8.987 -24.132) 30.263 24.636 ( 3.600 6.140 17.620) 19.003 24.987 ( -4.879 2.645 -2.177) 5.962 ======================= Grid point 663 (337/433) ======================= q-point: (-0.33 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -28.049 20.995 27.067) 44.274 3.379 ( -29.669 -1.463 -10.070) 31.365 4.016 ( 8.405 -2.022 0.598) 8.666 4.398 ( 12.088 0.279 -1.136) 12.144 4.937 ( -5.037 1.345 3.704) 6.395 5.486 ( -13.654 -14.760 12.260) 23.550 5.608 ( 10.360 14.264 -10.274) 20.405 5.973 ( 2.393 -2.820 3.050) 4.794 6.750 ( 6.457 -7.939 -4.202) 11.062 6.982 ( 8.409 -3.427 -9.203) 12.929 8.202 ( -27.135 1.195 1.058) 27.182 8.869 ( 3.476 -1.441 13.470) 13.986 9.054 ( 14.230 6.852 4.348) 16.381 9.395 ( 1.269 -2.459 -9.162) 9.571 11.329 ( -4.358 -9.466 11.496) 15.516 11.940 ( 3.273 6.139 -12.062) 13.924 12.091 ( 0.772 1.264 9.489) 9.604 12.709 ( -0.322 5.515 -22.083) 22.763 13.864 ( -2.313 -2.814 3.757) 5.233 14.142 ( -0.028 -4.735 -7.161) 8.585 20.743 ( -22.903 -18.849 35.220) 46.046 22.683 ( 15.557 -14.895 -23.001) 31.511 24.613 ( 4.934 11.849 15.633) 20.227 24.869 ( -2.390 5.139 -4.606) 7.303 ======================= Grid point 664 (338/433) ======================= q-point: (-0.25 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -24.688 14.531 22.750) 36.581 3.070 ( -34.233 -3.722 -12.029) 36.475 4.154 ( 9.754 -3.276 1.869) 10.458 4.402 ( 16.173 12.165 -7.652) 21.636 4.900 ( -2.631 1.361 4.098) 5.056 5.334 ( 4.422 14.112 -0.195) 14.790 5.775 ( -8.116 -18.157 3.434) 20.182 6.077 ( 1.638 -5.412 3.510) 6.655 6.859 ( -0.289 -3.035 -9.814) 10.276 7.014 ( 2.646 -0.077 -4.833) 5.510 7.987 ( -20.331 -4.099 -2.243) 20.861 8.928 ( -5.035 -0.680 7.742) 9.260 9.141 ( 17.195 7.937 8.822) 20.892 9.449 ( 7.495 -4.553 -2.060) 9.008 11.514 ( -1.565 -8.166 6.241) 10.397 11.787 ( -0.878 4.896 -7.457) 8.964 12.122 ( 0.789 1.588 8.630) 8.811 12.510 ( -0.113 4.722 -17.346) 17.978 13.924 ( -4.445 -4.546 5.378) 8.327 14.192 ( -0.624 -4.550 -2.603) 5.279 21.105 ( -21.775 -25.399 33.329) 47.224 22.959 ( 12.379 -14.569 -18.511) 26.611 24.506 ( 6.450 14.698 10.678) 19.278 24.716 ( 0.338 7.868 -7.569) 10.923 ======================= Grid point 665 (339/433) ======================= q-point: (-0.17 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -16.426 1.682 12.136) 20.492 2.757 ( -34.847 -5.499 -14.590) 38.176 4.110 ( 17.807 25.288 -14.503) 34.160 4.391 ( 9.570 -5.492 2.288) 11.269 4.890 ( -0.142 1.012 3.781) 3.917 5.234 ( 4.916 4.898 7.643) 10.323 5.969 ( -7.749 -11.798 -2.176) 14.282 6.234 ( 1.504 -8.080 6.473) 10.462 6.675 ( -15.866 4.830 -14.808) 22.233 7.036 ( 3.172 -0.794 -3.453) 4.756 7.980 ( -7.066 -10.051 -1.459) 12.373 8.910 ( -6.838 1.384 5.351) 8.793 9.135 ( 7.446 8.250 4.323) 11.924 9.658 ( 14.444 -3.988 7.982) 16.977 11.538 ( -5.607 1.396 -1.765) 6.042 11.801 ( 2.627 -6.526 0.337) 7.043 12.154 ( 1.508 0.416 6.913) 7.088 12.356 ( 1.236 4.507 -12.775) 13.603 13.979 ( -6.545 -4.318 4.053) 8.826 14.256 ( -0.775 -3.517 3.816) 5.247 21.558 ( -19.863 -29.289 30.649) 46.815 23.144 ( 4.084 -4.520 -6.348) 8.798 24.385 ( 10.179 10.671 0.529) 14.757 24.526 ( 2.840 10.198 -11.249) 15.446 ======================= Grid point 666 (340/433) ======================= q-point: (-0.08 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -9.785 -10.650 -3.646) 14.915 2.484 ( -26.424 -8.992 -14.232) 31.331 3.686 ( 15.083 29.551 -17.165) 37.355 4.614 ( 7.818 -7.118 6.218) 12.266 4.896 ( 1.363 0.970 2.043) 2.640 5.318 ( 7.851 -1.583 10.036) 12.840 5.997 ( -9.471 -2.244 -4.651) 10.787 6.282 ( -13.697 4.931 -3.522) 14.977 6.512 ( -2.482 -12.693 -5.585) 14.088 7.035 ( 3.275 1.619 -5.932) 6.967 8.131 ( -1.497 -11.187 1.357) 11.368 8.778 ( -5.658 9.249 -0.081) 10.843 9.106 ( 0.379 3.257 8.421) 9.037 9.878 ( 12.532 -0.675 10.485) 16.354 11.471 ( -6.483 -1.182 1.171) 6.693 11.925 ( 2.778 -4.606 -2.667) 6.004 12.206 ( 1.321 1.147 -8.179) 8.364 12.261 ( 4.920 -0.115 2.463) 5.503 13.986 ( -7.047 -1.590 2.676) 7.704 14.336 ( -1.363 -2.716 8.591) 9.113 22.055 ( -17.339 -30.294 27.307) 44.317 23.070 ( -6.571 13.567 10.959) 18.637 24.291 ( 5.768 11.860 -15.406) 20.280 24.389 ( 13.473 -0.345 -11.403) 17.654 ======================= Grid point 674 (341/433) ======================= q-point: (-0.42 -0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -32.966 -0.000 -10.882) 34.715 3.794 ( -17.036 -0.000 11.931) 20.798 3.795 ( -18.080 -0.000 23.389) 29.563 4.220 ( 13.439 0.000 2.100) 13.603 4.995 ( -6.308 -0.000 8.370) 10.481 5.128 ( -5.945 -0.000 2.444) 6.427 5.932 ( 1.046 0.000 4.110) 4.241 6.004 ( 10.860 0.000 -5.425) 12.140 6.545 ( 11.072 0.000 -8.770) 14.125 6.900 ( 11.256 0.000 -8.369) 14.026 8.249 ( -28.469 -0.000 3.391) 28.670 8.835 ( 4.240 0.000 14.171) 14.792 9.228 ( 15.052 0.000 2.474) 15.254 9.308 ( -2.420 -0.000 -11.749) 11.996 11.136 ( -7.255 -0.000 15.826) 17.410 12.063 ( 9.066 0.000 -15.360) 17.836 12.114 ( -0.536 -0.000 11.332) 11.345 12.816 ( -1.059 -0.000 -26.386) 26.407 13.823 ( -1.495 -0.000 0.702) 1.652 14.040 ( 0.675 0.000 -10.287) 10.310 20.411 ( -23.348 -0.000 36.588) 43.403 22.393 ( 15.912 0.000 -24.077) 28.860 24.833 ( 6.431 0.000 17.168) 18.333 24.952 ( -4.722 -0.000 -2.276) 5.241 ======================= Grid point 675 (342/433) ======================= q-point: (-0.33 -0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -38.014 -1.156 -10.217) 39.380 3.364 ( -25.136 23.029 26.017) 42.885 3.977 ( -4.796 -8.704 9.592) 13.812 4.411 ( 5.988 -8.661 3.693) 11.158 4.969 ( -2.381 2.271 6.407) 7.203 5.180 ( -8.690 -9.815 5.350) 14.159 5.940 ( 12.499 14.286 -8.319) 20.725 5.965 ( -0.592 -1.250 4.052) 4.281 6.678 ( 11.536 -6.490 -7.229) 15.081 6.965 ( 9.441 -1.783 -10.358) 14.128 7.978 ( -29.275 1.678 1.991) 29.391 8.933 ( 0.881 0.676 10.311) 10.371 9.264 ( 4.515 -2.500 -3.618) 6.303 9.365 ( 12.597 2.143 1.615) 12.880 11.220 ( -4.955 -6.240 14.661) 16.686 12.014 ( 6.047 5.337 -13.276) 15.534 12.162 ( -0.534 0.610 10.215) 10.248 12.627 ( -3.773 1.886 -24.995) 25.349 13.823 ( -2.261 -1.337 1.746) 3.154 14.025 ( -0.031 -3.703 -7.562) 8.420 20.483 ( -23.123 -9.899 36.282) 44.148 22.488 ( 16.001 -9.232 -23.924) 30.226 24.867 ( -2.028 4.144 -0.350) 4.627 24.941 ( 6.812 5.517 12.232) 15.049 ======================= Grid point 676 (343/433) ======================= q-point: (-0.25 -0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -39.708 -2.932 -9.390) 40.908 2.885 ( -26.910 21.577 27.526) 44.129 4.135 ( 2.429 -7.030 5.445) 9.218 4.605 ( 9.344 -1.981 2.343) 9.835 4.950 ( -1.173 2.349 6.854) 7.340 5.334 ( -14.337 -15.093 7.579) 22.154 5.721 ( 13.589 16.636 -10.590) 23.949 6.016 ( -1.062 -3.672 2.529) 4.583 6.807 ( 5.712 -0.595 -7.731) 9.631 6.991 ( 2.665 -1.128 -8.430) 8.912 7.749 ( -18.904 -2.491 1.232) 19.107 8.931 ( -3.795 1.741 5.414) 6.837 9.361 ( 3.866 -1.641 -6.647) 7.862 9.483 ( 17.064 -0.389 11.278) 20.458 11.395 ( -2.056 -8.959 10.926) 14.279 11.847 ( -0.540 8.453 -10.330) 13.359 12.192 ( -1.276 1.152 8.913) 9.077 12.454 ( -1.552 0.925 -18.681) 18.769 13.845 ( -3.885 -2.872 2.807) 5.588 14.078 ( -0.059 -6.012 -3.672) 7.044 20.714 ( -22.435 -18.603 35.282) 45.763 22.715 ( 15.153 -14.766 -22.722) 31.047 24.756 ( -0.554 6.006 -3.481) 6.964 24.913 ( 7.568 12.834 9.856) 17.865 ======================= Grid point 677 (344/433) ======================= q-point: (-0.17 -0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -36.676 -5.420 -9.207) 38.200 2.480 ( -23.499 14.529 24.047) 36.628 4.328 ( 6.072 -7.949 3.765) 10.688 4.592 ( 14.934 16.485 -8.913) 23.963 4.948 ( -0.535 1.513 7.825) 7.988 5.398 ( -5.359 1.569 10.076) 11.519 5.675 ( 1.232 -8.765 -6.322) 10.877 6.106 ( -1.863 -7.685 0.810) 7.949 6.622 ( -10.815 10.979 -9.460) 18.082 7.018 ( 2.523 -2.271 -3.727) 5.042 7.771 ( -1.927 -9.213 0.311) 9.418 8.891 ( -6.256 0.845 4.805) 7.934 9.323 ( 4.277 5.867 -3.730) 8.162 9.755 ( 14.881 -5.512 9.281) 18.383 11.511 ( -3.744 0.615 -0.011) 3.795 11.726 ( -0.899 -3.435 1.366) 3.805 12.195 ( -1.856 0.851 3.991) 4.483 12.360 ( 1.915 1.594 -9.988) 10.295 13.874 ( -5.412 -3.677 2.743) 7.095 14.178 ( -0.424 -6.433 1.301) 6.577 21.079 ( -21.007 -25.286 33.455) 46.903 22.979 ( 11.469 -13.794 -17.758) 25.242 24.618 ( 2.266 8.002 -6.490) 10.549 24.761 ( 6.763 16.759 4.610) 18.651 ======================= Grid point 678 (345/433) ======================= q-point: (-0.08 -0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -27.592 -7.207 -8.265) 29.692 2.272 ( -14.299 1.032 14.704) 20.536 4.238 ( 15.243 29.444 -18.322) 37.881 4.552 ( 5.305 -9.050 3.162) 10.956 4.974 ( 2.204 1.780 7.650) 8.158 5.435 ( 3.054 0.525 14.217) 14.551 5.787 ( -7.023 -9.093 -5.979) 12.952 6.184 ( -11.401 -0.103 -14.925) 18.781 6.336 ( -3.778 -1.045 8.157) 9.049 7.045 ( 3.498 -0.384 -5.493) 6.524 7.961 ( 3.063 -10.578 1.751) 11.151 8.825 ( -7.242 3.063 2.823) 8.355 9.230 ( 1.761 6.270 0.344) 6.521 9.998 ( 10.433 -3.361 7.130) 13.076 11.419 ( -6.020 1.219 0.842) 6.200 11.855 ( 2.082 -5.953 1.205) 6.420 12.180 ( 0.031 -0.283 -5.033) 5.041 12.320 ( 2.486 1.841 -0.140) 3.097 13.898 ( -5.721 -3.353 2.893) 7.235 14.291 ( -1.664 -5.444 5.563) 7.960 21.539 ( -18.862 -29.282 30.846) 46.527 23.147 ( 3.330 -3.864 -5.666) 7.623 24.454 ( 4.904 9.936 -10.777) 15.457 24.561 ( 8.150 13.233 -3.648) 15.964 ======================= Grid point 687 (346/433) ======================= q-point: (-0.33 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -41.874 -0.000 -8.982) 42.827 3.633 ( -18.026 -0.000 17.990) 25.467 3.759 ( -18.288 -0.000 30.259) 35.357 4.358 ( 1.025 0.000 1.963) 2.214 5.008 ( -1.483 -0.000 5.504) 5.700 5.081 ( -2.253 -0.000 3.347) 4.034 5.954 ( -1.339 -0.000 0.351) 1.384 6.168 ( 12.626 0.000 -4.030) 13.254 6.680 ( 14.387 0.000 -10.735) 17.950 6.979 ( 8.903 0.000 -10.916) 14.086 7.743 ( -28.557 -0.000 4.728) 28.945 9.017 ( 1.920 0.000 7.891) 8.122 9.187 ( -0.601 -0.000 -6.924) 6.950 9.553 ( 14.056 0.000 6.573) 15.517 11.205 ( -4.305 -0.000 15.760) 16.338 12.062 ( 6.949 0.000 -11.833) 13.723 12.216 ( -0.448 -0.000 9.236) 9.247 12.437 ( -8.719 -0.000 -25.606) 27.050 13.797 ( -2.501 -0.000 1.062) 2.717 13.953 ( -0.073 -0.000 -5.900) 5.901 20.387 ( -23.067 -0.000 36.718) 43.362 22.422 ( 15.912 0.000 -24.039) 28.828 24.854 ( -2.713 -0.000 -2.808) 3.905 25.156 ( 10.177 0.000 12.890) 16.424 ======================= Grid point 688 (347/433) ======================= q-point: (-0.25 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -41.057 -2.006 -5.597) 41.485 3.220 ( -23.910 25.561 30.005) 46.102 4.013 ( -6.953 -13.420 16.668) 22.500 4.499 ( -2.365 -14.253 7.602) 16.325 5.012 ( -0.817 1.469 5.897) 6.131 5.118 ( -2.372 -3.198 3.685) 5.426 5.932 ( 0.028 0.890 -7.424) 7.477 6.118 ( 11.487 13.478 -1.606) 17.782 6.814 ( 11.034 -5.005 -7.297) 14.144 6.960 ( 1.729 3.042 -11.009) 11.552 7.563 ( -16.748 -2.646 5.776) 17.913 8.982 ( -2.213 5.082 2.442) 6.057 9.258 ( 2.816 -8.080 -5.082) 9.952 9.694 ( 11.772 1.336 8.591) 14.634 11.311 ( -2.594 -6.046 14.290) 15.732 11.942 ( -0.422 10.147 -12.439) 16.058 12.222 ( -5.715 0.158 1.338) 5.871 12.313 ( -0.218 -4.346 -10.961) 11.794 13.788 ( -3.333 -1.224 1.203) 3.749 13.966 ( 0.327 -4.407 -3.464) 5.615 20.462 ( -22.714 -9.762 36.539) 44.117 22.517 ( 15.739 -9.313 -24.034) 30.201 24.797 ( -1.185 2.664 -3.072) 4.236 25.239 ( 9.972 8.547 9.054) 15.952 ======================= Grid point 689 (348/433) ======================= q-point: (-0.17 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -32.788 -4.163 -0.070) 33.051 2.746 ( -24.421 23.425 32.539) 46.946 4.241 ( 1.443 -9.644 7.346) 12.208 4.801 ( 4.449 -10.214 8.718) 14.147 5.008 ( -0.451 3.477 5.433) 6.466 5.161 ( -9.406 -7.445 4.414) 12.782 5.803 ( 6.943 8.929 -12.887) 17.146 6.045 ( 3.275 3.503 4.188) 6.367 6.709 ( -6.417 12.844 -7.204) 16.064 6.959 ( 2.360 -4.859 -3.604) 6.494 7.630 ( 2.465 -8.605 1.659) 9.104 8.889 ( -5.146 3.076 2.299) 6.421 9.355 ( 3.537 -2.406 -7.476) 8.613 9.848 ( 9.849 -2.835 8.393) 13.247 11.474 ( -1.436 -4.620 7.371) 8.817 11.697 ( -5.688 4.459 -3.952) 8.237 12.179 ( -3.595 -0.628 -2.908) 4.666 12.347 ( 2.409 -1.095 -1.830) 3.218 13.790 ( -4.177 -2.300 1.289) 4.939 14.060 ( 0.294 -7.106 -0.458) 7.126 20.698 ( -21.768 -18.524 35.612) 45.664 22.738 ( 14.537 -14.533 -22.738) 30.652 24.710 ( 1.060 5.125 -4.290) 6.768 25.143 ( 7.236 16.221 4.815) 18.403 ======================= Grid point 690 (349/433) ======================= q-point: (-0.08 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -16.150 -5.683 7.457) 18.674 2.374 ( -20.014 15.130 28.975) 38.328 4.452 ( 3.072 -8.808 2.624) 9.691 4.732 ( 12.120 23.483 -13.927) 29.871 5.039 ( 0.719 -3.366 10.025) 10.599 5.348 ( -10.415 -16.217 13.027) 23.263 5.695 ( 3.993 4.691 -5.123) 8.012 6.059 ( 1.673 -0.265 -2.180) 2.760 6.398 ( -7.892 10.112 1.090) 12.873 7.022 ( 2.901 -2.527 -4.560) 5.966 7.847 ( 7.166 -9.557 1.341) 12.021 8.808 ( -7.074 1.681 2.485) 7.684 9.322 ( 1.576 3.889 -5.529) 6.941 10.033 ( 6.271 -4.861 3.753) 8.777 11.413 ( -5.121 3.589 0.623) 6.285 11.769 ( 0.405 -7.726 5.486) 9.485 12.144 ( -0.987 -0.322 -4.678) 4.791 12.362 ( 1.323 0.922 0.787) 1.794 13.808 ( -4.339 -3.366 2.218) 5.922 14.189 ( -0.862 -7.327 2.412) 7.762 21.072 ( -20.064 -25.322 33.842) 46.787 22.989 ( 10.709 -13.222 -17.457) 24.377 24.595 ( 3.706 7.638 -6.508) 10.697 24.898 ( 4.279 19.346 0.083) 19.814 ======================= Grid point 700 (350/433) ======================= q-point: (-0.25 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -34.731 -0.000 3.195) 34.878 3.533 ( -18.311 -0.000 24.252) 30.389 3.780 ( -18.488 -0.000 34.999) 39.582 4.365 ( -1.501 -0.000 2.015) 2.513 5.045 ( -1.379 -0.000 6.294) 6.443 5.143 ( 4.327 0.000 5.187) 6.755 5.892 ( -1.226 -0.000 -7.233) 7.336 6.360 ( 13.133 0.000 -4.478) 13.875 6.773 ( 2.427 0.000 -3.514) 4.271 6.986 ( 6.139 0.000 -13.134) 14.498 7.444 ( -8.470 -0.000 7.814) 11.524 9.074 ( -0.513 -0.000 0.314) 0.601 9.123 ( 0.693 0.000 -4.914) 4.963 9.831 ( 6.956 0.000 7.160) 9.983 11.315 ( -2.403 -0.000 15.324) 15.512 11.983 ( -13.812 -0.000 -17.276) 22.119 12.054 ( 4.140 0.000 -8.121) 9.116 12.305 ( 0.958 0.000 6.327) 6.399 13.754 ( -3.300 -0.000 0.822) 3.401 13.916 ( 1.115 0.000 -2.641) 2.866 20.373 ( -22.706 -0.000 37.120) 43.514 22.446 ( 15.603 0.000 -24.321) 28.896 24.798 ( -0.505 -0.000 -1.928) 1.993 25.449 ( 10.155 0.000 4.903) 11.277 ======================= Grid point 701 (351/433) ======================= q-point: (-0.17 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -18.184 -1.921 14.865) 23.565 3.154 ( -21.564 26.797 34.049) 48.398 4.080 ( -8.217 -16.420 20.628) 27.616 4.501 ( -5.488 -16.646 6.472) 18.684 5.076 ( -0.884 -0.613 9.110) 9.173 5.198 ( 6.561 3.677 3.257) 8.196 5.818 ( -0.429 1.760 -10.994) 11.142 6.316 ( 10.382 12.480 0.825) 16.255 6.794 ( -7.863 3.374 -1.710) 8.725 6.900 ( 6.111 0.884 -8.581) 10.572 7.543 ( 7.180 -7.482 2.192) 10.599 8.937 ( -3.442 6.827 -0.531) 7.664 9.246 ( 2.915 -8.387 -6.934) 11.266 9.915 ( 2.994 -1.011 5.768) 6.577 11.429 ( -1.060 -5.115 13.160) 14.159 11.700 ( -10.456 6.826 -7.774) 14.709 12.090 ( -0.207 -3.448 -6.163) 7.064 12.355 ( 1.607 -0.842 3.529) 3.968 13.734 ( -3.342 -0.872 0.647) 3.515 13.959 ( 1.662 -4.638 -1.396) 5.121 20.453 ( -22.237 -9.784 37.015) 44.276 22.536 ( 15.278 -9.281 -24.400) 30.248 24.768 ( 0.939 2.569 -1.671) 3.205 25.457 ( 7.020 10.270 0.891) 12.472 ======================= Grid point 702 (352/433) ======================= q-point: (-0.08 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 2.077 -2.883 24.403) 24.660 2.712 ( -20.508 24.360 36.629) 48.535 4.333 ( -0.078 -9.848 6.261) 11.670 4.801 ( -12.866 -17.651 7.542) 23.108 5.117 ( 12.819 10.431 -5.164) 17.314 5.196 ( 0.700 -4.338 13.506) 14.203 5.736 ( 0.227 1.845 -6.755) 7.006 6.216 ( 5.123 10.079 7.747) 13.706 6.535 ( -2.169 12.913 -6.457) 14.599 6.966 ( 2.219 -4.098 -3.328) 5.726 7.779 ( 10.607 -8.620 0.607) 13.681 8.800 ( -6.217 4.038 0.520) 7.432 9.319 ( 2.171 -1.745 -8.589) 9.029 9.996 ( 0.050 -4.222 1.514) 4.486 11.450 ( -3.674 4.798 0.841) 6.101 11.663 ( -1.770 -8.541 9.181) 12.664 12.098 ( -0.445 -1.450 -4.306) 4.565 12.387 ( 0.679 0.202 1.573) 1.726 13.735 ( -3.059 -2.242 1.442) 4.057 14.070 ( 1.066 -6.933 -0.182) 7.017 20.699 ( -21.060 -18.683 36.121) 45.796 22.748 ( 13.975 -14.329 -23.044) 30.523 24.709 ( 2.936 5.170 -2.569) 6.477 25.250 ( 2.001 18.058 -1.508) 18.231 ======================= Grid point 713 (353/433) ======================= q-point: (-0.17 -0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 2.409 0.000 27.677) 27.781 3.492 ( -18.236 -0.000 29.303) 34.514 3.857 ( -15.817 -0.000 37.110) 40.341 4.361 ( 0.595 0.000 -1.463) 1.580 5.108 ( -1.976 -0.000 11.286) 11.458 5.321 ( 7.294 0.000 3.538) 8.107 5.775 ( 0.420 0.000 -10.234) 10.242 6.536 ( 10.307 0.000 -3.609) 10.920 6.737 ( -7.655 -0.000 11.190) 13.558 6.917 ( 5.034 0.000 -17.452) 18.163 7.576 ( 13.583 0.000 1.156) 13.633 9.007 ( -4.124 -0.000 -4.698) 6.251 9.115 ( 4.111 0.000 -3.924) 5.683 9.931 ( -2.677 -0.000 3.440) 4.359 11.450 ( -0.761 -0.000 14.742) 14.762 11.620 ( -11.108 -0.000 -4.791) 12.098 12.037 ( 2.149 0.000 -5.468) 5.875 12.381 ( 1.327 0.000 3.035) 3.313 13.703 ( -2.840 -0.000 0.661) 2.916 13.932 ( 3.223 0.000 -1.818) 3.700 20.370 ( -22.311 -0.000 37.653) 43.767 22.458 ( 15.174 0.000 -24.785) 29.061 24.797 ( 1.502 0.000 0.123) 1.507 25.595 ( 4.207 0.000 -3.370) 5.391 ======================= Grid point 714 (354/433) ======================= q-point: (-0.08 -0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 16.452 -0.760 32.797) 36.700 3.181 ( -18.179 25.994 37.248) 48.924 4.163 ( -8.176 -15.707 22.197) 28.395 4.459 ( -3.463 -12.775 1.335) 13.303 5.189 ( -0.753 -3.542 14.703) 15.143 5.336 ( 5.287 5.106 -3.679) 8.219 5.735 ( 2.688 0.836 -4.969) 5.711 6.468 ( -1.318 11.504 5.727) 12.918 6.698 ( 5.673 7.587 -8.446) 12.692 6.900 ( 3.989 -3.785 -5.667) 7.896 7.767 ( 13.961 -5.560 0.016) 15.028 8.841 ( -5.711 7.045 -2.701) 9.463 9.226 ( 4.074 -6.105 -7.289) 10.344 9.916 ( -6.377 -2.195 0.372) 6.755 11.500 ( -4.576 3.015 1.000) 5.571 11.577 ( 0.771 -5.638 13.043) 14.230 12.045 ( 0.637 -1.933 -4.125) 4.600 12.401 ( 0.651 0.133 0.623) 0.911 13.692 ( -2.075 -0.983 1.206) 2.594 13.990 ( 3.628 -3.924 -2.035) 5.718 20.459 ( -21.753 -9.981 37.537) 44.518 22.541 ( 14.836 -9.194 -24.891) 30.401 24.796 ( 2.644 2.663 0.684) 3.814 25.491 ( -1.058 10.906 -5.001) 12.045 ======================= Grid point 726 (355/433) ======================= q-point: (-0.08 -0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 22.394 0.000 33.273) 40.107 3.510 ( -16.682 -0.000 32.451) 36.487 4.027 ( -10.795 -0.000 38.803) 40.277 4.341 ( 1.888 0.000 -7.343) 7.582 5.225 ( -1.847 -0.000 16.469) 16.572 5.360 ( -2.089 -0.000 -6.009) 6.361 5.764 ( 5.105 0.000 -0.891) 5.182 6.568 ( -6.123 -0.000 -4.079) 7.357 6.781 ( -0.128 -0.000 8.112) 8.113 6.870 ( 16.222 0.000 -20.484) 26.129 7.855 ( 14.548 0.000 0.217) 14.550 8.824 ( -8.457 -0.000 -7.524) 11.320 9.191 ( 7.925 0.000 -2.474) 8.302 9.816 ( -10.918 -0.000 -0.862) 10.952 11.472 ( -6.585 -0.000 7.171) 9.736 11.659 ( 9.760 0.000 9.340) 13.509 12.007 ( -0.076 -0.000 -3.912) 3.912 12.407 ( 0.900 0.000 -2.000) 2.193 13.676 ( -1.148 -0.000 1.498) 1.887 13.985 ( 5.403 0.000 -3.443) 6.407 20.381 ( -21.902 -0.000 38.109) 43.955 22.458 ( 14.806 0.000 -25.267) 29.286 24.854 ( 2.854 0.000 2.792) 3.993 25.522 ( -5.706 -0.000 -6.762) 8.848 ======================= Grid point 727 (356/433) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 12.682 0.000 21.124) 24.639 3.802 ( -4.014 -0.000 -14.785) 15.320 4.347 ( -12.525 -0.000 25.033) 27.991 4.758 ( 6.614 0.000 -8.806) 11.013 5.225 ( -5.866 -0.000 22.734) 23.479 5.615 ( 0.748 0.000 -2.653) 2.756 5.943 ( 7.536 0.000 1.729) 7.732 5.981 ( -13.361 -0.000 -9.444) 16.362 6.744 ( -9.180 -0.000 -3.289) 9.751 6.783 ( 18.124 0.000 -7.778) 19.722 8.212 ( 10.925 0.000 7.380) 13.184 8.376 ( -11.452 -0.000 -8.603) 14.323 9.397 ( 13.790 0.000 3.057) 14.125 9.467 ( -15.624 -0.000 -3.839) 16.088 11.662 ( -3.332 -0.000 9.385) 9.959 11.830 ( -0.292 -0.000 -7.096) 7.102 12.118 ( 13.779 0.000 4.992) 14.655 12.237 ( -4.809 -0.000 -6.611) 8.175 13.774 ( -0.981 -0.000 5.327) 5.417 13.900 ( 3.310 0.000 -6.948) 7.697 21.165 ( -20.742 -0.000 36.937) 42.362 21.864 ( 18.144 0.000 -32.230) 36.986 25.066 ( 5.862 0.000 5.560) 8.079 25.175 ( -9.456 -0.000 -5.169) 10.777 ======================= Grid point 728 (357/433) ======================= q-point: ( 0.08 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 1.010 1.898 6.363) 6.716 3.687 ( 0.780 -3.057 -10.553) 11.014 4.261 ( -13.354 13.242 28.213) 33.906 4.678 ( 9.478 9.318 -15.901) 20.725 5.314 ( -5.682 -2.141 21.448) 22.291 5.501 ( -3.685 6.035 -16.864) 18.286 5.897 ( -11.042 -5.835 3.825) 13.061 6.064 ( 7.764 -3.621 5.125) 9.983 6.644 ( -9.206 -1.184 -4.038) 10.122 6.914 ( 16.517 -0.798 -8.606) 18.641 8.228 ( -12.226 -0.878 -6.105) 13.693 8.374 ( 9.385 -3.028 6.601) 11.867 9.290 ( -15.340 1.646 -2.891) 15.697 9.523 ( 13.685 2.435 4.346) 14.563 11.694 ( -5.100 -2.080 8.915) 10.479 11.789 ( -1.827 -1.003 -5.719) 6.087 12.167 ( -1.601 -0.247 -8.366) 8.521 12.284 ( 16.745 -0.287 0.774) 16.766 13.807 ( -2.028 -1.755 4.790) 5.489 13.916 ( 3.898 -3.153 -7.167) 8.746 21.262 ( -20.470 -9.868 36.623) 43.101 21.932 ( 17.931 -9.157 -32.251) 38.020 24.995 ( -10.919 7.288 -2.176) 13.307 25.103 ( 5.204 5.424 5.492) 9.309 ======================= Grid point 729 (358/433) ======================= q-point: ( 0.17 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( -14.217 1.673 -20.103) 24.679 3.773 ( 3.843 4.853 8.659) 10.644 3.984 ( -12.515 19.648 19.483) 30.368 4.490 ( 12.080 12.865 -11.601) 21.119 5.289 ( -3.429 4.143 -9.190) 10.648 5.421 ( 0.779 -1.990 10.596) 10.809 5.902 ( -10.916 -4.647 0.108) 11.864 6.249 ( 6.070 -5.358 5.663) 9.880 6.575 ( -10.013 -3.566 -3.729) 11.264 7.000 ( 13.492 1.588 -8.568) 16.061 8.123 ( -13.302 -4.049 -3.336) 14.299 8.554 ( 8.249 -4.168 5.462) 10.736 9.115 ( -13.333 1.571 -0.960) 13.459 9.623 ( 13.244 3.440 6.966) 15.354 11.705 ( -5.351 -2.042 -0.808) 5.784 11.796 ( -1.785 -2.782 2.190) 3.965 12.121 ( 0.044 0.030 -7.418) 7.419 12.420 ( 16.548 2.157 -2.342) 16.852 13.835 ( -4.386 -3.198 1.746) 5.702 14.014 ( 5.185 -6.573 -3.343) 9.014 21.518 ( -19.775 -18.269 35.526) 44.575 22.136 ( 17.208 -16.063 -31.613) 39.414 24.718 ( -11.896 12.644 2.019) 17.478 25.038 ( 5.245 10.564 3.237) 12.230 ======================= Grid point 730 (359/433) ======================= q-point: ( 0.25 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -20.838 3.383 -23.564) 31.638 3.573 ( -15.517 22.083 30.741) 40.908 3.623 ( 7.953 20.176 -22.030) 30.913 4.444 ( 9.436 0.705 0.585) 9.480 5.218 ( 1.749 1.251 0.939) 2.346 5.475 ( 8.064 4.813 0.800) 9.425 5.870 ( -14.280 -5.808 -0.477) 15.424 6.353 ( -0.177 -1.571 -5.043) 5.285 6.563 ( -6.672 -6.974 -0.929) 9.696 7.011 ( 10.028 4.472 -7.474) 13.282 8.096 ( -12.856 -8.264 -0.628) 15.296 8.690 ( 5.372 -0.575 1.981) 5.755 9.017 ( -8.565 -1.988 4.272) 9.776 9.738 ( 12.137 1.739 9.638) 15.596 11.680 ( -3.754 -2.030 -5.235) 6.754 11.841 ( -2.367 -2.312 4.090) 5.260 12.078 ( 0.823 1.374 -5.751) 5.970 12.483 ( 14.286 4.853 -3.862) 15.574 13.867 ( -5.258 -5.121 0.707) 7.373 14.178 ( 4.944 -7.917 -0.153) 9.335 21.892 ( -18.534 -23.843 33.136) 44.833 22.429 ( 15.809 -19.826 -29.531) 38.924 24.384 ( -12.268 16.263 6.554) 21.400 24.882 ( 6.022 14.302 -0.882) 15.543 ======================= Grid point 731 (360/433) ======================= q-point: ( 0.33 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -23.262 4.566 -23.702) 33.522 3.188 ( 8.818 22.679 -23.416) 33.770 3.247 ( -11.413 18.478 23.274) 31.833 4.569 ( 4.840 -5.191 2.789) 7.626 5.241 ( 4.436 5.043 8.088) 10.514 5.436 ( 11.733 6.246 -5.032) 14.213 5.838 ( -14.412 -6.134 -1.110) 15.702 6.263 ( -6.402 1.514 -10.961) 12.784 6.659 ( -2.551 -8.586 -2.408) 9.275 6.956 ( 7.058 6.963 -4.966) 11.089 8.161 ( -10.458 -11.987 -0.149) 15.908 8.671 ( 1.095 6.286 1.767) 6.621 9.078 ( -2.564 -5.792 6.849) 9.329 9.889 ( 9.976 -0.919 10.350) 14.404 11.647 ( -2.868 -0.841 -4.717) 5.584 11.874 ( -2.190 -2.157 2.248) 3.808 12.024 ( 1.288 2.711 -4.625) 5.513 12.481 ( 10.818 5.999 -3.892) 12.968 13.919 ( -4.732 -5.636 0.991) 7.426 14.351 ( 3.554 -6.795 1.897) 7.899 22.329 ( -16.579 -25.829 29.106) 42.298 22.756 ( 13.554 -19.954 -25.122) 34.828 24.025 ( -11.963 18.007 9.991) 23.816 24.665 ( 7.417 16.004 -5.729) 18.546 ======================= Grid point 732 (361/433) ======================= q-point: ( 0.42 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -19.045 4.466 -18.604) 26.996 2.788 ( 7.121 18.480 -17.899) 26.694 3.054 ( -4.874 6.194 11.925) 14.295 4.722 ( 1.234 -7.458 3.509) 8.334 5.145 ( 3.940 12.648 2.712) 13.522 5.498 ( 11.849 -0.460 1.476) 11.950 5.798 ( -10.135 -3.347 -1.875) 10.837 6.103 ( -8.718 1.607 -10.729) 13.917 6.757 ( -1.629 -7.391 -4.680) 8.898 6.859 ( 4.824 8.366 -1.610) 9.790 8.300 ( -7.307 -14.000 -1.369) 15.851 8.553 ( 0.863 9.873 3.707) 10.581 9.188 ( -0.990 -4.191 5.871) 7.281 10.045 ( 6.677 -1.914 8.062) 10.641 11.603 ( -2.788 1.111 -1.191) 3.229 11.904 ( -0.930 -2.779 -1.182) 3.160 11.967 ( 1.287 2.601 -3.486) 4.536 12.446 ( 6.749 5.136 -2.664) 8.889 13.972 ( -3.474 -3.900 1.343) 5.393 14.479 ( 1.512 -3.682 2.987) 4.977 22.757 ( -13.461 -23.180 22.733) 35.147 23.035 ( 7.340 -11.065 -12.811) 18.450 23.700 ( -7.729 12.190 6.182) 15.702 24.430 ( 8.515 14.572 -9.637) 19.435 ======================= Grid point 733 (362/433) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -8.537 3.063 -6.439) 11.123 2.527 ( 1.198 8.726 -4.581) 9.928 3.094 ( 3.596 -9.132 -4.192) 10.673 4.881 ( -0.307 -6.165 4.835) 7.841 4.975 ( 2.200 8.565 -0.480) 8.856 5.623 ( 8.793 0.330 3.244) 9.378 5.756 ( -4.711 -2.155 -2.385) 5.703 5.946 ( -8.634 1.950 -5.040) 10.186 6.749 ( 2.783 8.701 2.654) 9.513 6.834 ( -0.156 -5.933 -5.659) 8.200 8.401 ( 2.396 10.925 3.067) 11.598 8.474 ( -5.040 -12.827 -1.725) 13.889 9.250 ( -0.904 -0.795 3.827) 4.012 10.145 ( 2.667 -0.735 3.415) 4.395 11.551 ( -2.644 2.404 3.027) 4.683 11.925 ( 0.578 0.608 -1.571) 1.781 11.943 ( 1.134 -2.460 -4.602) 5.340 12.412 ( 2.495 2.704 -0.443) 3.705 13.994 ( -2.119 -0.660 1.470) 2.662 14.528 ( -0.609 0.476 3.115) 3.210 22.968 ( -9.954 16.272 15.993) 24.893 23.076 ( -6.422 -10.694 11.121) 16.712 23.685 ( 7.176 -12.557 -14.271) 20.319 24.262 ( 6.414 5.601 -8.484) 12.021 ======================= Grid point 734 (363/433) ======================= q-point: (-0.42 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 5.752 1.123 10.325) 11.872 2.481 ( -6.395 -4.042 11.704) 13.936 3.366 ( 10.122 -21.876 -18.042) 30.109 4.779 ( 0.940 9.686 -1.473) 9.842 5.101 ( -1.305 -11.087 6.052) 12.699 5.583 ( -4.849 3.995 -6.152) 8.793 5.796 ( -0.621 -1.772 -2.676) 3.269 5.887 ( 4.864 0.738 10.644) 11.727 6.643 ( 0.625 8.332 6.018) 10.297 6.898 ( 0.769 -4.490 -4.762) 6.590 8.253 ( 5.013 11.835 3.059) 13.212 8.625 ( -4.406 -10.638 -2.820) 11.854 9.241 ( -0.941 2.078 0.621) 2.364 10.149 ( -1.574 1.227 -2.045) 2.857 11.513 ( -1.774 2.535 6.205) 6.933 11.922 ( -0.006 -0.422 0.749) 0.859 11.971 ( 2.669 -2.002 -6.454) 7.266 12.400 ( -1.592 -0.318 1.925) 2.518 13.971 ( -0.825 2.711 1.526) 3.218 14.485 ( -2.319 4.658 2.391) 5.726 22.595 ( -14.813 24.989 25.991) 38.980 23.103 ( 4.847 7.904 -8.373) 12.493 23.951 ( 10.027 -16.729 -14.994) 24.602 24.315 ( -0.593 -11.324 -0.296) 11.344 ======================= Grid point 735 (364/433) ======================= q-point: (-0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 17.193 -0.014 23.970) 29.498 2.672 ( -11.707 -15.818 25.355) 32.096 3.783 ( 12.630 -27.970 -26.367) 40.460 4.624 ( -0.310 7.534 -2.321) 7.889 5.298 ( -3.907 -7.153 7.938) 11.377 5.418 ( -6.300 0.748 -8.669) 10.742 5.776 ( 4.774 5.508 4.888) 8.777 6.061 ( 9.312 -4.863 8.479) 13.500 6.544 ( -2.173 7.114 8.165) 11.045 6.942 ( 0.519 -2.454 -3.180) 4.050 8.135 ( 8.085 10.605 2.263) 13.526 8.708 ( -5.405 -5.583 -1.384) 7.893 9.185 ( -0.022 2.415 -3.721) 4.436 10.060 ( -5.655 2.231 -6.323) 8.772 11.504 ( -0.181 1.861 7.725) 7.948 11.938 ( 0.067 0.111 2.187) 2.191 11.987 ( 2.902 -0.986 -5.739) 6.506 12.409 ( -4.994 -2.410 3.216) 6.410 13.911 ( 0.394 4.901 1.824) 5.244 14.361 ( -3.148 7.775 1.007) 8.448 22.173 ( -16.706 25.422 30.559) 43.119 22.862 ( 12.341 18.277 -21.410) 30.737 24.242 ( 9.580 -14.979 -10.800) 20.804 24.574 ( -4.395 -19.270 2.408) 19.911 ======================= Grid point 736 (365/433) ======================= q-point: (-0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 20.890 0.080 30.450) 36.927 3.057 ( -11.801 -22.728 32.226) 41.162 4.191 ( 8.720 -21.936 -26.211) 35.274 4.509 ( -1.023 0.888 -5.419) 5.586 5.205 ( -4.020 6.734 2.017) 8.098 5.517 ( -2.352 -10.797 -2.564) 11.343 5.755 ( 8.209 8.513 9.743) 15.323 6.270 ( 5.957 -5.393 3.768) 8.875 6.464 ( -0.675 4.576 7.672) 8.958 6.953 ( -0.742 -0.509 -1.348) 1.620 8.068 ( 10.710 8.946 2.209) 14.129 8.703 ( -7.294 -1.433 0.215) 7.437 9.136 ( 2.672 0.985 -6.780) 7.354 9.918 ( -9.286 1.494 -7.894) 12.279 11.532 ( 1.839 0.813 7.693) 7.951 11.926 ( 0.625 2.489 0.740) 2.671 12.001 ( 2.362 -0.052 -1.652) 2.884 12.414 ( -7.464 -2.600 2.932) 8.430 13.843 ( 1.159 5.105 2.707) 5.893 14.191 ( -2.578 8.698 -0.908) 9.117 21.777 ( -18.224 22.743 33.723) 44.571 22.522 ( 15.716 20.084 -27.839) 37.754 24.511 ( 8.654 -12.262 -5.863) 16.113 24.870 ( -5.362 -19.268 -0.003) 20.000 ======================= Grid point 737 (366/433) ======================= q-point: (-0.17 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 18.977 0.579 30.567) 35.983 3.531 ( -8.620 -22.016 29.909) 38.126 4.262 ( -2.866 0.394 -7.713) 8.238 4.603 ( -0.667 -13.576 -14.687) 20.011 5.132 ( 4.310 3.198 3.651) 6.491 5.615 ( -0.283 -4.474 -6.558) 7.943 5.766 ( 8.376 5.408 12.429) 15.934 6.290 ( -11.561 -0.479 1.711) 11.697 6.532 ( 13.525 -0.671 -0.766) 13.563 6.933 ( -2.332 0.792 -0.944) 2.638 8.051 ( 11.893 6.945 3.639) 14.245 8.638 ( -8.945 -0.428 -2.674) 9.346 9.143 ( 7.230 -0.538 -3.967) 8.264 9.766 ( -12.193 -0.086 -6.896) 14.008 11.590 ( 3.184 0.074 6.837) 7.543 11.885 ( 0.539 2.655 -0.178) 2.715 12.006 ( 3.514 2.566 1.315) 4.546 12.386 ( -8.665 -1.468 1.002) 8.845 13.795 ( 0.659 3.756 4.207) 5.679 14.030 ( -0.283 6.819 -3.327) 7.592 21.451 ( -19.573 17.371 35.752) 44.306 22.193 ( 17.300 16.738 -30.871) 39.146 24.748 ( 7.669 -9.015 -0.980) 11.876 25.104 ( -6.181 -15.057 -3.417) 16.631 ======================= Grid point 738 (367/433) ======================= q-point: (-0.08 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 15.743 0.707 26.447) 30.786 3.847 ( -3.634 -6.608 3.895) 8.488 4.249 ( -10.833 -7.309 13.978) 19.135 4.696 ( 1.077 -5.116 -4.455) 6.869 5.174 ( 1.921 0.700 7.724) 7.990 5.619 ( 2.263 1.306 -1.368) 2.950 5.849 ( 6.386 -0.711 4.942) 8.107 6.166 ( -12.496 0.490 -6.653) 14.165 6.654 ( 14.092 -0.888 -4.832) 14.924 6.862 ( -4.619 2.578 -2.891) 6.029 8.097 ( 11.880 3.364 5.935) 13.699 8.524 ( -10.362 0.137 -7.344) 12.701 9.246 ( 11.745 -1.783 0.966) 11.918 9.621 ( -14.276 -0.706 -5.044) 15.157 11.642 ( 0.534 0.834 7.454) 7.520 11.858 ( 1.607 0.247 -4.959) 5.219 12.014 ( 7.240 3.160 5.726) 9.756 12.320 ( -7.783 -0.288 -2.593) 8.209 13.771 ( -0.769 2.070 5.396) 5.830 13.931 ( 2.578 3.154 -5.656) 6.970 21.235 ( -20.483 9.560 36.724) 43.123 21.956 ( 17.981 9.442 -31.957) 37.864 24.940 ( 6.723 -4.990 3.107) 8.931 25.215 ( -7.647 -8.037 -5.540) 12.401 ======================= Grid point 740 (368/433) ======================= q-point: ( 0.08 0.08 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -13.261 -0.000 -26.826) 29.925 3.792 ( 8.448 0.000 11.408) 14.196 4.448 ( -8.165 -0.000 27.527) 28.712 4.741 ( 8.759 0.000 -17.860) 19.892 5.351 ( -12.497 -0.000 28.142) 30.792 5.408 ( -6.058 -0.000 -20.113) 21.006 5.775 ( -8.648 -0.000 4.869) 9.925 6.122 ( 7.696 0.000 3.155) 8.318 6.515 ( -9.159 -0.000 -5.508) 10.688 7.021 ( 16.250 0.000 -7.751) 18.004 8.069 ( -11.521 -0.000 -8.256) 14.174 8.472 ( 7.305 0.000 9.373) 11.884 9.154 ( -14.627 -0.000 -1.445) 14.698 9.697 ( 13.936 0.000 4.420) 14.620 11.674 ( -7.353 -0.000 10.986) 13.220 11.722 ( -2.576 -0.000 -6.040) 6.566 12.108 ( 1.249 0.000 -11.327) 11.396 12.446 ( 19.344 0.000 -2.844) 19.552 13.811 ( -0.878 -0.000 4.367) 4.455 13.873 ( 3.126 0.000 -8.342) 8.908 21.189 ( -20.750 -0.000 36.727) 42.183 21.842 ( 18.138 0.000 -32.401) 37.133 24.943 ( -11.464 -0.000 -1.282) 11.535 25.226 ( 3.368 0.000 7.672) 8.378 ======================= Grid point 741 (369/433) ======================= q-point: ( 0.17 0.08 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -18.546 -0.492 -29.616) 34.947 3.911 ( 6.936 0.797 5.900) 9.141 4.344 ( -7.988 18.057 21.864) 29.460 4.707 ( 9.457 6.406 -10.573) 15.564 5.222 ( -4.640 0.819 -14.401) 15.152 5.408 ( -9.099 -3.334 19.258) 21.559 5.752 ( -7.286 -2.994 -1.100) 7.953 6.248 ( 1.905 -6.689 3.986) 8.016 6.417 ( -6.808 0.775 -2.721) 7.372 7.100 ( 12.707 1.186 -9.066) 15.654 7.939 ( -10.299 -1.453 -6.488) 12.259 8.601 ( 5.597 -2.208 8.904) 10.747 9.020 ( -12.194 0.706 1.175) 12.271 9.823 ( 12.745 2.144 4.300) 13.621 11.638 ( -5.046 0.495 0.316) 5.080 11.729 ( -4.014 -4.067 4.479) 7.261 12.070 ( 2.112 -0.920 -11.089) 11.326 12.586 ( 18.326 1.264 -6.530) 19.496 13.795 ( -1.483 1.082 -0.161) 1.842 13.928 ( 3.692 -5.965 -3.710) 7.936 21.286 ( -20.625 -10.013 36.255) 42.896 21.907 ( 17.937 -8.879 -32.232) 37.940 24.783 ( -11.523 6.370 1.659) 13.270 25.242 ( 2.146 5.898 6.869) 9.305 ======================= Grid point 742 (370/433) ======================= q-point: ( 0.25 0.08 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -20.461 0.690 -29.428) 35.849 3.881 ( 7.910 12.088 -12.315) 18.983 4.026 ( -11.728 23.256 30.463) 40.080 4.564 ( 5.039 8.502 -6.341) 11.742 5.206 ( 4.336 -4.455 -5.858) 8.542 5.520 ( -3.743 -6.284 11.619) 13.730 5.703 ( -5.805 -0.549 -7.031) 9.134 6.305 ( -11.165 -1.753 -6.616) 13.096 6.401 ( 2.258 -3.431 5.471) 6.841 7.115 ( 9.270 2.245 -10.232) 13.988 7.868 ( -9.897 -4.119 -2.397) 10.985 8.730 ( 4.564 -2.101 5.127) 7.178 8.943 ( -8.660 -1.173 6.741) 11.037 9.913 ( 9.975 2.105 4.762) 11.252 11.595 ( -2.890 -0.859 -3.487) 4.610 11.795 ( -3.517 -3.656 6.265) 8.061 12.052 ( 1.713 -1.058 -8.744) 8.972 12.656 ( 15.072 3.591 -8.964) 17.900 13.777 ( -2.324 -1.453 0.141) 2.744 14.074 ( 4.267 -8.375 -1.937) 9.597 21.539 ( -20.081 -18.400 34.873) 44.249 22.107 ( 17.226 -15.743 -31.263) 39.013 24.546 ( -11.157 11.383 5.606) 16.896 25.144 ( 1.989 11.008 3.526) 11.729 ======================= Grid point 743 (371/433) ======================= q-point: ( 0.33 0.08 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -15.773 2.565 -24.953) 29.631 3.540 ( 10.972 22.545 -23.204) 34.163 3.669 ( -14.834 25.439 32.130) 43.583 4.528 ( 1.915 -2.353 -2.924) 4.213 5.332 ( 7.059 -3.613 3.420) 8.636 5.581 ( -1.587 4.693 -10.172) 11.315 5.658 ( -0.585 -5.650 6.442) 8.589 6.168 ( -9.475 1.174 -9.573) 13.520 6.498 ( -1.288 -5.658 0.640) 5.838 7.089 ( 8.334 4.141 -9.177) 13.070 7.878 ( -10.298 -8.752 0.654) 13.531 8.776 ( 1.414 2.702 3.809) 4.880 8.996 ( -3.343 -5.536 9.330) 11.352 9.993 ( 5.717 -0.139 4.868) 7.510 11.575 ( -1.179 -1.602 -4.995) 5.377 11.845 ( -2.817 -1.732 5.852) 6.722 12.033 ( 1.176 0.266 -6.473) 6.585 12.644 ( 10.923 5.515 -9.599) 15.552 13.809 ( -2.170 -4.090 1.926) 5.015 14.252 ( 3.545 -8.763 -0.794) 9.486 21.907 ( -19.011 -23.881 32.318) 44.455 22.399 ( 16.050 -19.769 -29.038) 38.621 24.262 ( -10.555 15.196 9.703) 20.892 24.953 ( 2.961 14.383 -1.430) 14.754 ======================= Grid point 744 (372/433) ======================= q-point: ( 0.42 0.08 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -4.524 3.944 -14.977) 16.134 3.127 ( 12.734 23.135 -23.365) 35.261 3.299 ( -13.048 19.666 24.780) 34.221 4.602 ( -1.348 -6.668 -0.798) 6.849 5.354 ( -2.785 9.175 -0.354) 9.595 5.516 ( 4.819 -4.425 -3.131) 7.254 5.774 ( 5.979 -0.357 5.900) 8.407 6.006 ( -7.005 1.341 -10.320) 12.545 6.587 ( -1.010 -7.225 -3.683) 8.173 7.022 ( 6.759 6.873 -5.992) 11.350 7.986 ( -8.680 -13.354 0.941) 15.955 8.729 ( 0.231 6.681 6.393) 9.250 9.123 ( -1.160 -5.888 6.367) 8.749 10.070 ( 0.632 -2.519 3.327) 4.220 11.570 ( -0.181 -1.302 -4.048) 4.256 11.871 ( -2.035 -0.807 4.599) 5.094 11.992 ( 0.613 1.726 -4.882) 5.214 12.575 ( 6.895 5.984 -8.626) 12.560 13.886 ( -1.332 -4.744 3.196) 5.873 14.411 ( 1.644 -6.915 0.186) 7.111 22.334 ( -17.361 -25.744 28.507) 42.152 22.735 ( 14.272 -20.395 -25.032) 35.302 23.952 ( -9.570 17.515 12.896) 23.763 24.707 ( 4.625 15.675 -6.875) 17.730 ======================= Grid point 745 (373/433) ======================= q-point: ( 0.50 0.08 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 9.561 3.794 -0.173) 10.288 2.763 ( 10.173 18.651 -15.314) 26.189 3.076 ( -6.325 6.616 10.210) 13.712 4.715 ( -3.883 -9.562 0.524) 10.333 5.137 ( -3.308 10.027 -4.224) 11.372 5.610 ( -0.258 -3.401 -3.572) 4.939 5.771 ( -2.090 3.034 2.125) 4.253 5.979 ( 10.153 1.535 3.349) 10.801 6.682 ( 0.472 -7.433 -6.671) 9.998 6.924 ( 4.263 7.845 -1.542) 9.061 8.166 ( -5.784 -14.908 -0.247) 15.993 8.630 ( 0.726 9.455 6.874) 11.712 9.224 ( -1.034 -3.528 3.696) 5.213 10.112 ( -4.454 -3.014 -0.246) 5.384 11.570 ( 0.192 -0.083 -0.251) 0.327 11.894 ( -0.551 -1.350 1.859) 2.363 11.941 ( -0.224 1.581 -3.224) 3.598 12.485 ( 3.254 4.870 -6.655) 8.866 13.966 ( -0.276 -2.938 3.622) 4.672 14.507 ( -0.755 -3.409 0.798) 3.581 22.749 ( -14.582 -22.964 22.694) 35.426 23.033 ( 8.210 -12.044 -13.559) 19.907 23.670 ( -4.624 12.258 9.253) 16.039 24.447 ( 5.845 14.117 -11.338) 19.027 ======================= Grid point 746 (374/433) ======================= q-point: (-0.42 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 20.710 1.814 14.293) 25.228 2.541 ( 4.143 8.984 -1.960) 10.086 3.087 ( 1.835 -8.928 -6.017) 10.921 4.845 ( -6.369 -7.511 -0.812) 9.881 4.939 ( -2.638 4.095 -2.652) 5.546 5.514 ( -10.122 1.517 -9.329) 13.849 5.834 ( 7.878 -2.054 7.427) 11.020 6.075 ( 13.528 5.137 9.743) 17.445 6.752 ( -1.409 -2.977 -5.689) 6.574 6.842 ( 4.420 4.100 1.082) 6.126 8.361 ( -3.585 -12.502 -0.945) 13.040 8.511 ( 2.363 9.577 5.715) 11.400 9.256 ( -1.530 0.132 1.352) 2.046 10.078 ( -8.816 -1.658 -4.961) 10.251 11.575 ( 0.705 1.258 4.623) 4.843 11.909 ( -1.099 -0.208 -0.917) 1.447 11.929 ( 1.456 -2.122 -1.920) 3.211 12.404 ( -0.330 2.620 -4.321) 5.064 14.012 ( 0.900 0.285 3.667) 3.787 14.517 ( -2.974 0.814 0.838) 3.195 22.965 ( -9.753 12.362 16.314) 22.673 23.077 ( -6.607 -7.762 10.859) 14.893 23.701 ( 10.005 -12.490 -11.604) 19.767 24.248 ( 3.684 5.577 -10.890) 12.778 ======================= Grid point 747 (375/433) ======================= q-point: (-0.33 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 14.120 -0.512 21.766) 25.950 2.543 ( 7.947 -4.018 16.013) 18.323 3.328 ( 8.307 -21.076 -18.994) 29.563 4.704 ( -5.534 6.690 -5.534) 10.296 5.056 ( -5.296 -13.514 0.446) 14.521 5.347 ( -9.111 1.830 -7.006) 11.638 5.999 ( 14.764 0.981 6.661) 16.227 6.157 ( 9.684 3.587 11.383) 15.369 6.681 ( -4.175 5.436 5.091) 8.538 6.884 ( 4.215 -2.692 -5.038) 7.099 8.383 ( 4.382 8.647 4.189) 10.561 8.539 ( -2.385 -8.286 -0.285) 8.627 9.213 ( -1.693 2.895 -0.620) 3.411 9.956 ( -11.834 -0.019 -9.214) 14.998 11.593 ( 1.882 2.017 7.973) 8.436 11.919 ( -1.275 -2.149 0.923) 2.664 11.967 ( 3.154 -1.620 -4.338) 5.603 12.345 ( -3.992 -0.139 -2.309) 4.613 14.012 ( 2.064 3.569 3.830) 5.628 14.437 ( -4.389 4.714 0.163) 6.443 22.620 ( -13.671 24.554 26.148) 38.387 23.095 ( 4.321 7.843 -8.395) 12.275 24.002 ( 11.800 -16.865 -12.559) 24.112 24.260 ( -3.672 -11.296 -2.337) 12.106 ======================= Grid point 748 (376/433) ======================= q-point: (-0.25 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -7.261 -12.969 28.525) 32.165 2.933 ( 22.911 -4.114 25.814) 34.759 3.703 ( 10.620 -25.857 -25.601) 37.904 4.508 ( -7.068 5.055 -8.227) 11.966 5.228 ( -5.350 -0.445 -0.057) 5.369 5.242 ( -3.972 -12.280 -4.888) 13.801 6.080 ( 15.672 10.256 8.053) 20.388 6.276 ( 3.696 -2.150 6.512) 7.790 6.590 ( -2.944 4.662 9.513) 10.995 6.922 ( 2.410 -1.514 -5.735) 6.402 8.319 ( 8.541 8.012 3.382) 12.189 8.609 ( -5.491 -3.119 1.265) 6.440 9.150 ( 0.559 1.989 -1.674) 2.659 9.778 ( -13.326 0.407 -11.305) 17.480 11.629 ( 3.263 1.986 8.899) 9.684 11.947 ( 0.676 -0.550 -1.847) 2.042 12.000 ( 2.785 -1.681 -1.045) 3.417 12.308 ( -6.693 -2.306 -1.493) 7.235 13.976 ( 2.608 5.770 4.507) 7.772 14.290 ( -4.273 7.156 -1.427) 8.455 22.212 ( -15.955 25.477 30.904) 43.113 22.846 ( 12.061 18.450 -22.215) 31.295 24.323 ( 10.419 -15.530 -8.164) 20.406 24.481 ( -7.724 -19.123 1.514) 20.679 ======================= Grid point 749 (377/433) ======================= q-point: (-0.17 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -3.375 -12.575 32.673) 35.172 3.351 ( 12.391 -9.546 25.021) 29.508 4.056 ( 6.484 -18.342 -22.192) 29.512 4.338 ( -6.258 -2.062 -13.062) 14.630 5.210 ( 2.535 -0.235 1.055) 2.755 5.394 ( -4.266 -11.459 -5.678) 13.481 6.065 ( 11.030 10.535 8.730) 17.574 6.260 ( -8.398 4.535 5.190) 10.864 6.625 ( 5.135 -0.785 6.576) 8.380 6.918 ( 1.879 0.077 -7.193) 7.435 8.299 ( 10.937 7.310 3.370) 13.580 8.553 ( -9.842 1.410 0.137) 9.943 9.171 ( 5.821 -1.626 1.042) 6.133 9.593 ( -13.684 -0.591 -10.389) 17.191 11.679 ( 3.480 1.492 8.101) 8.942 11.918 ( 0.612 2.185 -4.556) 5.090 12.067 ( 4.724 -1.255 2.463) 5.473 12.277 ( -7.055 -2.386 -2.231) 7.775 13.919 ( 1.276 6.277 5.905) 8.711 14.121 ( -1.676 7.141 -4.179) 8.442 21.818 ( -17.968 23.155 34.047) 44.924 22.498 ( 15.539 20.027 -28.703) 38.294 24.624 ( 8.360 -13.202 -2.828) 15.880 24.737 ( -8.609 -18.418 0.070) 20.331 ======================= Grid point 750 (378/433) ======================= q-point: (-0.08 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( 4.906 -4.377 25.848) 26.672 3.711 ( 1.403 -9.632 9.549) 13.635 4.083 ( -12.698 -5.220 2.749) 14.002 4.467 ( 7.043 -16.266 -18.414) 25.559 5.270 ( 3.760 0.644 7.624) 8.525 5.483 ( -3.236 -8.528 -11.297) 14.520 6.041 ( 8.075 8.133 9.028) 14.589 6.094 ( -12.723 5.036 3.633) 14.157 6.701 ( -0.051 -0.581 3.847) 3.891 6.882 ( 7.622 2.132 -11.698) 14.124 8.304 ( 8.345 5.470 5.743) 11.512 8.412 ( -9.410 2.297 -4.664) 10.751 9.308 ( 7.472 -3.752 5.339) 9.920 9.443 ( -11.057 -1.481 -7.732) 13.573 11.713 ( -0.011 2.006 7.760) 8.015 11.852 ( -0.683 1.805 -5.467) 5.798 12.155 ( 10.594 0.495 2.765) 10.960 12.231 ( -5.093 -0.933 -4.598) 6.925 13.854 ( -1.814 4.894 6.550) 8.375 13.990 ( 2.746 5.101 -6.731) 8.881 21.486 ( -19.567 17.894 35.870) 44.607 22.167 ( 17.206 16.427 -31.440) 39.426 24.886 ( 3.873 -10.675 2.290) 11.585 24.929 ( -6.804 -13.123 -2.105) 14.931 ======================= Grid point 753 (379/433) ======================= q-point: ( 0.17 0.17 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -19.080 -0.000 -30.037) 35.584 4.002 ( 6.603 0.000 2.153) 6.945 4.643 ( -2.443 -0.000 25.671) 25.787 4.709 ( 6.827 0.000 -13.987) 15.564 5.113 ( -2.955 -0.000 -17.329) 17.579 5.386 ( -10.007 -0.000 17.144) 19.851 5.655 ( -8.196 -0.000 0.443) 8.208 6.118 ( -9.583 -0.000 -3.119) 10.078 6.448 ( 2.217 0.000 6.439) 6.810 7.144 ( 5.406 0.000 -10.239) 11.579 7.828 ( -2.214 -0.000 -8.140) 8.435 8.677 ( 3.062 0.000 10.898) 11.320 8.933 ( -10.033 -0.000 2.968) 10.463 9.965 ( 10.811 0.000 1.394) 10.901 11.642 ( -9.654 -0.000 11.915) 15.335 11.645 ( 0.925 0.000 -3.960) 4.066 12.018 ( 3.187 0.000 -13.267) 13.645 12.714 ( 17.226 0.000 -10.678) 20.267 13.836 ( -0.635 -0.000 2.798) 2.870 13.848 ( 4.189 0.000 -7.500) 8.590 21.208 ( -20.979 -0.000 36.360) 41.978 21.820 ( 18.201 0.000 -32.321) 37.093 24.746 ( -10.813 -0.000 2.976) 11.215 25.342 ( -0.396 -0.000 7.906) 7.916 ======================= Grid point 754 (380/433) ======================= q-point: ( 0.25 0.17 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -13.583 0.154 -26.719) 29.974 4.032 ( 6.087 3.942 -5.084) 8.856 4.440 ( -2.455 18.959 12.355) 22.763 4.750 ( -2.529 11.460 2.346) 11.968 5.083 ( 7.362 -10.152 -11.682) 17.139 5.422 ( -6.798 -4.317 10.388) 13.144 5.604 ( -5.191 -2.338 -4.118) 7.026 6.067 ( -13.509 -6.233 -2.127) 15.028 6.484 ( 2.050 2.480 7.463) 8.127 7.104 ( -1.433 -1.288 -10.809) 10.979 7.792 ( 3.920 1.346 -6.664) 7.847 8.768 ( 1.996 -1.202 8.757) 9.061 8.887 ( -7.471 -1.334 7.272) 10.511 10.035 ( 7.024 1.553 -0.619) 7.220 11.572 ( -3.807 2.079 2.589) 5.052 11.721 ( -2.801 -5.264 6.139) 8.558 11.989 ( 2.947 -1.615 -12.508) 12.952 12.775 ( 14.167 1.972 -13.672) 19.787 13.779 ( 0.864 2.582 -0.761) 2.827 13.960 ( 3.612 -7.553 -2.886) 8.856 21.300 ( -20.967 -10.018 35.755) 42.642 21.885 ( 18.027 -8.672 -31.897) 37.651 24.626 ( -9.765 5.660 5.622) 12.609 25.318 ( -1.726 6.040 6.056) 8.725 ======================= Grid point 755 (381/433) ======================= q-point: ( 0.33 0.17 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -1.357 1.424 -19.100) 19.201 3.864 ( 9.997 16.528 -18.794) 26.951 4.137 ( -14.823 23.816 31.442) 42.137 4.525 ( 0.291 5.432 -8.404) 10.011 5.313 ( 11.132 -8.187 -2.699) 14.080 5.478 ( -5.410 -3.253 -2.520) 6.797 5.624 ( 0.500 -6.174 0.845) 6.251 6.004 ( -12.994 -2.519 -5.115) 14.190 6.489 ( 0.224 1.905 5.317) 5.652 7.084 ( -0.580 -4.236 -9.452) 10.375 7.765 ( 2.569 1.928 -3.124) 4.481 8.830 ( 0.564 -0.150 5.351) 5.383 8.937 ( -4.109 -4.182 11.497) 12.905 10.043 ( 1.597 1.032 -1.907) 2.693 11.534 ( -1.816 0.195 -0.151) 1.832 11.815 ( -1.962 -3.526 7.301) 8.342 11.984 ( 1.773 -2.098 -9.846) 10.222 12.757 ( 10.412 4.120 -14.567) 18.373 13.772 ( 0.747 -0.713 1.563) 1.873 14.121 ( 3.598 -9.027 -2.878) 10.135 21.546 ( -20.555 -18.347 34.284) 43.983 22.084 ( 17.479 -15.572 -30.651) 38.568 24.444 ( -8.572 10.438 8.935) 16.195 25.179 ( -1.501 10.902 1.934) 11.174 ======================= Grid point 756 (382/433) ======================= q-point: ( 0.42 0.17 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 13.386 2.956 -7.785) 15.764 3.518 ( 14.406 22.329 -23.094) 35.205 3.710 ( -18.544 26.426 30.502) 44.414 4.484 ( -0.989 -3.396 -5.649) 6.665 5.392 ( -3.684 3.596 -8.883) 10.267 5.484 ( 3.253 -3.908 1.980) 5.457 5.825 ( 7.697 -8.317 5.937) 12.793 5.881 ( -8.641 -0.576 -7.668) 11.567 6.502 ( 0.962 -1.363 0.970) 1.930 7.105 ( 3.955 -0.932 -8.790) 9.684 7.770 ( -1.602 -3.795 1.195) 4.289 8.846 ( -1.105 2.670 8.596) 9.069 9.049 ( -1.628 -5.524 7.256) 9.264 10.017 ( -4.438 -1.367 -3.275) 5.683 11.530 ( 0.112 -1.143 -1.820) 2.152 11.876 ( -1.299 -0.864 6.881) 7.056 11.973 ( 0.253 -0.714 -6.836) 6.878 12.675 ( 6.835 5.535 -13.493) 16.106 13.832 ( 0.869 -3.505 3.723) 5.187 14.286 ( 2.048 -8.715 -2.536) 9.305 21.905 ( -19.769 -23.737 31.956) 44.446 22.383 ( 16.732 -19.830 -28.483) 38.529 24.217 ( -7.464 14.416 12.304) 20.370 24.955 ( 0.042 13.920 -3.397) 14.329 ======================= Grid point 757 (383/433) ======================= q-point: ( 0.50 0.17 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 24.446 3.493 4.728) 25.142 3.146 ( 15.732 23.035 -20.523) 34.631 3.296 ( -15.373 19.587 21.871) 33.140 4.527 ( -4.054 -6.987 -3.642) 8.861 5.213 ( -4.134 7.386 -7.646) 11.407 5.508 ( -6.843 -1.561 -6.259) 9.404 5.809 ( -0.661 0.457 5.452) 5.511 6.095 ( 11.893 -6.834 6.366) 15.122 6.565 ( 4.235 -3.739 -4.052) 6.953 7.068 ( 5.691 5.219 -6.667) 10.202 7.895 ( -2.368 -11.329 3.015) 11.960 8.806 ( -1.878 6.335 9.626) 11.676 9.159 ( -0.857 -5.083 3.305) 6.123 9.971 ( -9.978 -3.524 -5.313) 11.841 11.554 ( 1.651 -1.803 -1.543) 2.891 11.903 ( -0.666 0.253 4.948) 4.999 11.937 ( -1.281 0.946 -3.319) 3.681 12.557 ( 3.716 5.688 -11.483) 13.342 13.933 ( 1.211 -4.082 4.976) 6.549 14.413 ( -0.366 -6.489 -1.946) 6.785 22.319 ( -18.465 -25.553 28.611) 42.573 22.732 ( 15.240 -20.587 -24.749) 35.617 23.960 ( -6.157 16.957 14.820) 23.347 24.682 ( 2.184 15.101 -8.964) 17.696 ======================= Grid point 758 (384/433) ======================= q-point: ( 0.58 0.17 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 28.384 2.919 15.162) 32.312 2.824 ( 13.144 18.992 -12.738) 26.377 3.044 ( -7.643 6.165 8.074) 12.713 4.599 ( -7.363 -9.567 -4.065) 12.739 5.006 ( -3.822 7.618 -5.556) 10.174 5.381 ( -10.851 0.399 -8.907) 14.044 5.902 ( 5.354 -2.843 10.102) 11.781 6.326 ( 12.445 -1.544 10.543) 16.383 6.637 ( 5.145 -2.913 -8.633) 10.464 6.986 ( 4.512 6.379 -1.961) 8.056 8.116 ( -0.022 -13.178 2.886) 13.491 8.711 ( -1.566 8.304 8.048) 11.670 9.230 ( -0.916 -2.549 0.849) 2.839 9.888 ( -14.130 -3.717 -7.831) 16.577 11.603 ( 2.917 -1.750 0.819) 3.499 11.885 ( -2.135 0.198 -3.001) 3.688 11.925 ( -0.235 0.394 5.110) 5.130 12.432 ( 0.997 4.699 -9.437) 10.589 14.033 ( 1.959 -2.340 5.423) 6.223 14.470 ( -2.927 -2.897 -1.377) 4.342 22.723 ( -15.754 -22.947 23.338) 36.323 23.039 ( 8.611 -11.981 -13.466) 19.975 23.731 ( -0.881 11.590 10.696) 15.795 24.397 ( 3.689 13.918 -13.543) 19.767 ======================= Grid point 759 (385/433) ======================= q-point: (-0.33 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 6.211 9.297 0.289) 11.185 2.850 ( 18.352 -1.406 10.681) 21.280 3.087 ( 10.912 -6.815 3.422) 13.313 4.604 ( -13.680 -4.152 -10.683) 17.847 4.895 ( 0.189 -1.077 0.370) 1.155 5.236 ( -9.308 0.029 -6.942) 11.612 6.087 ( 7.944 -4.874 9.457) 13.277 6.476 ( 14.262 6.188 12.472) 19.931 6.643 ( -1.368 -1.662 -8.733) 8.994 6.933 ( 4.135 3.819 -0.279) 5.636 8.345 ( 1.433 -10.217 3.502) 10.895 8.602 ( 0.311 7.397 5.175) 9.033 9.235 ( -0.929 1.072 0.092) 1.421 9.752 ( -16.133 -2.374 -10.096) 19.179 11.671 ( 3.991 -0.673 4.464) 6.026 11.865 ( -2.809 -1.951 -0.555) 3.465 11.952 ( 1.265 -0.835 1.569) 2.182 12.317 ( -1.605 3.049 -7.696) 8.433 14.100 ( 3.010 0.749 5.472) 6.290 14.441 ( -5.004 1.123 -1.116) 5.249 22.969 ( -9.441 5.868 16.400) 19.813 23.073 ( -6.329 -3.575 9.988) 12.353 23.791 ( 11.510 -11.061 -8.329) 18.005 24.163 ( 1.655 6.141 -13.213) 14.664 ======================= Grid point 760 (386/433) ======================= q-point: (-0.25 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -2.300 -4.409 16.107) 16.857 3.106 ( 10.767 -13.745 -8.304) 19.334 3.425 ( 21.268 -7.227 12.686) 25.797 4.409 ( -14.720 1.260 -15.127) 21.145 5.007 ( -0.110 -8.891 1.452) 9.010 5.153 ( -4.954 -2.073 -4.734) 7.159 6.284 ( 6.683 -3.588 6.931) 10.275 6.479 ( 12.242 12.347 2.323) 17.542 6.623 ( -5.506 -1.133 7.224) 9.153 6.910 ( 3.160 1.313 -5.578) 6.543 8.486 ( 1.226 -0.578 5.298) 5.469 8.551 ( 1.960 1.355 1.787) 2.978 9.198 ( 0.773 2.715 1.911) 3.409 9.575 ( -15.508 -1.050 -11.176) 19.145 11.735 ( 2.985 1.116 7.605) 8.246 11.899 ( -0.091 -3.877 -1.479) 4.150 11.994 ( 2.766 -1.627 -0.025) 3.210 12.219 ( -4.113 0.710 -6.153) 7.435 14.120 ( 3.557 4.144 5.702) 7.895 14.335 ( -5.684 4.411 -1.701) 7.393 22.663 ( -12.847 23.992 25.740) 37.460 23.079 ( 4.434 8.105 -9.081) 12.954 24.089 ( 6.188 -15.438 -6.357) 17.806 24.149 ( -0.149 -12.276 -6.571) 13.924 ======================= Grid point 761 (387/433) ======================= q-point: (-0.17 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -8.658 -16.204 28.633) 34.021 3.408 ( 10.085 -16.398 -13.245) 23.367 3.797 ( 15.060 -7.845 10.443) 19.935 4.169 ( -11.536 0.376 -18.997) 22.228 5.149 ( -3.777 -7.558 0.692) 8.477 5.192 ( 3.870 -6.692 -3.424) 8.455 6.301 ( -8.232 6.280 6.002) 11.968 6.392 ( 11.505 9.865 -0.678) 15.171 6.664 ( -0.971 -1.414 10.257) 10.399 6.888 ( 3.290 -0.711 -10.135) 10.679 8.501 ( 1.178 2.435 3.077) 4.097 8.519 ( -1.176 4.649 1.248) 4.955 9.224 ( 4.853 -0.261 6.944) 8.476 9.400 ( -12.068 -0.810 -10.215) 15.831 11.770 ( 0.063 1.310 7.985) 8.092 11.923 ( 1.941 0.853 -6.674) 7.003 12.081 ( 5.052 -3.774 2.961) 6.967 12.164 ( -3.471 -2.292 -4.981) 6.490 14.079 ( -0.137 7.129 6.975) 9.974 14.192 ( -1.405 5.631 -4.075) 7.091 22.261 ( -15.777 25.610 30.759) 43.022 22.819 ( 12.354 18.845 -23.461) 32.530 24.324 ( -11.032 -18.828 4.040) 22.192 24.448 ( 10.788 -15.831 -7.254) 20.485 ======================= Grid point 762 (388/433) ======================= q-point: (-0.08 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( -10.186 -19.095 29.511) 36.596 3.665 ( 8.812 -10.653 -12.642) 18.734 3.862 ( -18.882 -3.502 -5.332) 19.930 4.208 ( 15.203 -10.753 -7.852) 20.209 5.246 ( -3.032 -7.176 -1.068) 7.863 5.332 ( 6.337 -4.620 -1.110) 7.920 6.104 ( -13.100 7.202 4.535) 15.622 6.303 ( 7.119 9.622 1.057) 12.016 6.693 ( -6.151 0.809 4.213) 7.500 6.910 ( 9.950 -1.857 -10.341) 14.471 8.339 ( -12.427 5.645 -0.666) 13.665 8.527 ( 9.289 4.598 2.882) 10.758 9.224 ( -13.250 -1.284 -2.426) 13.531 9.411 ( 11.326 -3.047 5.670) 13.027 11.773 ( -3.260 1.616 5.578) 6.660 11.854 ( -0.034 2.864 -5.503) 6.204 12.144 ( -2.299 -2.325 -4.597) 5.641 12.246 ( 12.113 -3.137 0.668) 12.530 13.954 ( -5.719 6.732 4.532) 9.928 14.093 ( 5.216 6.350 -3.574) 8.961 21.861 ( -18.155 23.577 33.850) 45.070 22.464 ( 15.655 19.932 -29.419) 38.831 24.554 ( -11.968 -17.466 3.514) 21.462 24.763 ( 8.308 -13.779 -1.925) 16.205 ======================= Grid point 766 (389/433) ======================= q-point: ( 0.25 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 0.248 0.000 -19.791) 19.792 4.083 ( 4.455 0.000 -5.450) 7.039 4.676 ( 1.071 0.000 -6.131) 6.224 4.848 ( -14.425 -0.000 17.947) 23.025 4.965 ( 16.219 0.000 -11.768) 20.038 5.385 ( -0.704 -0.000 1.375) 1.545 5.505 ( -7.027 -0.000 -0.890) 7.083 5.886 ( -14.662 -0.000 4.954) 15.476 6.558 ( -0.439 -0.000 7.715) 7.727 6.972 ( -8.628 -0.000 -10.596) 13.664 7.858 ( 13.800 0.000 -9.078) 16.518 8.824 ( -0.266 -0.000 11.443) 11.446 8.849 ( -5.573 -0.000 6.983) 8.934 10.079 ( 2.802 0.000 -4.947) 5.685 11.588 ( -11.025 -0.000 12.858) 16.937 11.680 ( 4.853 0.000 0.569) 4.887 11.930 ( 3.781 0.000 -14.401) 14.889 12.829 ( 12.222 0.000 -16.830) 20.800 13.849 ( -0.362 -0.000 1.376) 1.423 13.875 ( 6.554 0.000 -5.814) 8.761 21.216 ( -21.416 -0.000 35.891) 41.794 21.802 ( 18.368 0.000 -31.961) 36.863 24.625 ( -8.132 -0.000 6.871) 10.646 25.375 ( -4.309 -0.000 5.936) 7.335 ======================= Grid point 767 (390/433) ======================= q-point: ( 0.33 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 16.646 0.891 -10.506) 19.704 4.040 ( 4.606 5.716 -10.281) 12.633 4.495 ( -4.555 14.513 7.893) 17.137 4.629 ( -10.113 12.815 -0.500) 16.333 5.237 ( 14.656 -11.560 -2.076) 18.782 5.398 ( 1.886 -1.138 -5.653) 6.067 5.490 ( -5.105 -5.333 -0.017) 7.382 5.831 ( -13.814 -3.489 7.021) 15.884 6.560 ( -2.339 2.526 6.587) 7.432 6.887 ( -7.930 -5.999 -8.169) 12.868 7.901 ( 15.003 5.360 -7.894) 17.780 8.850 ( -1.912 -0.589 7.401) 7.667 8.906 ( -3.110 -2.826 11.739) 12.469 10.032 ( -2.639 1.240 -7.858) 8.381 11.538 ( -7.020 1.520 8.379) 11.036 11.783 ( 2.270 -3.996 6.485) 7.948 11.904 ( 3.464 -1.938 -13.597) 14.164 12.816 ( 9.875 2.288 -17.847) 20.524 13.807 ( 1.947 2.340 0.342) 3.063 13.994 ( 4.318 -7.389 -4.248) 9.555 21.301 ( -21.487 -9.965 35.271) 42.485 21.870 ( 18.330 -8.603 -31.373) 37.339 24.557 ( -6.405 5.206 8.994) 12.207 25.307 ( -5.104 5.811 3.284) 8.402 ======================= Grid point 768 (391/433) ======================= q-point: ( 0.42 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 28.350 2.368 -1.402) 28.483 3.851 ( 10.224 15.046 -16.978) 24.883 4.136 ( -21.615 24.746 28.465) 43.472 4.421 ( 0.709 2.210 -11.761) 11.988 5.367 ( 1.337 1.322 -10.419) 10.587 5.433 ( -2.328 -2.969 -1.268) 3.981 5.655 ( 7.253 -13.405 -3.672) 15.678 5.821 ( -6.928 -3.019 9.577) 12.199 6.531 ( -0.709 1.409 4.250) 4.533 6.941 ( -4.807 -10.443 -5.363) 12.686 7.877 ( 13.429 7.972 -3.798) 16.072 8.896 ( -2.011 -0.694 9.578) 9.811 8.992 ( -2.772 -3.835 8.595) 9.812 9.916 ( -8.189 0.523 -9.850) 12.820 11.514 ( -3.204 -0.183 4.382) 5.431 11.889 ( 1.698 -1.391 2.453) 3.291 11.905 ( 0.857 -2.973 -4.456) 5.424 12.740 ( 7.231 4.417 -17.016) 19.009 13.823 ( 1.863 -1.220 2.618) 3.437 14.139 ( 2.813 -8.439 -4.671) 10.047 21.537 ( -21.266 -18.200 34.000) 44.040 22.077 ( 18.160 -15.640 -30.140) 38.507 24.433 ( -4.870 9.922 11.487) 15.941 25.131 ( -4.078 10.263 -1.060) 11.094 ======================= Grid point 769 (392/433) ======================= q-point: ( 0.50 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 32.917 3.080 6.512) 33.696 3.565 ( 16.332 20.526 -19.498) 32.684 3.653 ( -21.805 25.292 26.613) 42.701 4.370 ( -4.035 -3.292 -7.920) 9.479 5.250 ( -0.661 5.856 -10.387) 11.942 5.373 ( -10.686 -0.771 -5.171) 11.896 5.822 ( 2.706 -3.162 3.906) 5.707 6.017 ( 3.354 -12.499 7.158) 14.789 6.576 ( 6.123 -1.970 1.541) 6.614 7.045 ( -0.980 -7.266 -6.426) 9.750 7.880 ( 12.091 3.597 2.569) 12.874 8.912 ( -4.797 2.779 12.113) 13.322 9.080 ( -1.335 -4.981 3.213) 6.076 9.772 ( -12.565 -1.889 -11.245) 16.967 11.533 ( 0.018 -1.671 1.894) 2.526 11.882 ( 0.101 -0.952 -8.323) 8.378 11.962 ( -0.420 0.510 9.668) 9.690 12.618 ( 4.377 5.632 -15.134) 16.731 13.906 ( 1.704 -3.887 4.920) 6.497 14.271 ( 0.530 -7.915 -4.522) 9.131 21.884 ( -20.747 -23.493 32.040) 44.821 22.389 ( 17.785 -20.014 -28.162) 38.858 24.259 ( -3.747 14.052 13.925) 20.135 24.884 ( -1.811 13.069 -6.168) 14.564 ======================= Grid point 770 (393/433) ======================= q-point: ( 0.58 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 31.133 3.405 13.040) 33.925 3.212 ( -14.398 19.092 16.218) 28.893 3.257 ( 15.737 21.429 -14.414) 30.242 4.353 ( -9.382 -6.500 -8.090) 13.990 5.069 ( -1.886 7.329 -7.104) 10.379 5.243 ( -10.829 0.191 -6.470) 12.616 5.942 ( 3.870 -3.636 9.034) 10.479 6.267 ( 0.023 -11.418 2.841) 11.767 6.701 ( 11.310 -1.292 1.039) 11.430 7.071 ( 2.086 0.382 -6.623) 6.955 8.028 ( 12.134 -4.277 7.401) 14.842 8.839 ( -7.662 5.792 9.347) 13.402 9.166 ( -0.510 -4.574 0.779) 4.668 9.634 ( -14.770 -3.660 -11.192) 18.889 11.591 ( 2.600 -2.821 0.895) 3.939 11.842 ( -2.227 -0.141 -5.620) 6.047 11.987 ( -0.297 2.032 9.504) 9.723 12.473 ( 1.912 5.582 -13.018) 14.293 14.026 ( 1.919 -4.335 6.400) 7.965 14.358 ( -2.015 -5.642 -3.921) 7.160 22.287 ( -19.474 -25.403 28.977) 43.177 22.750 ( 15.968 -20.430 -24.269) 35.516 24.047 ( -2.579 16.516 15.396) 22.726 24.597 ( 0.833 14.481 -11.360) 18.424 ======================= Grid point 771 (394/433) ======================= q-point: ( 0.67 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -9.603 7.251 6.603) 13.725 2.947 ( 14.622 19.592 -10.842) 26.743 3.348 ( 27.685 -0.151 18.131) 33.094 4.298 ( -16.101 -6.497 -13.258) 21.846 4.937 ( 1.468 3.971 -1.171) 4.393 5.115 ( -8.861 -0.096 -5.628) 10.498 6.114 ( 5.361 -5.288 9.777) 12.340 6.428 ( -3.490 -8.988 -2.477) 9.955 6.799 ( 11.422 3.792 2.647) 12.322 7.023 ( 2.016 3.479 -4.179) 5.799 8.284 ( 12.133 -6.174 8.758) 16.188 8.701 ( -8.719 4.894 3.738) 10.675 9.229 ( 0.632 -2.166 0.895) 2.427 9.500 ( -14.668 -3.018 -9.493) 17.730 11.684 ( 4.485 -3.625 0.858) 5.830 11.799 ( -3.748 -1.169 -2.521) 4.665 11.998 ( 0.267 2.136 8.218) 8.495 12.328 ( 0.204 4.785 -11.215) 12.195 14.145 ( 2.647 -2.620 6.837) 7.786 14.376 ( -4.391 -2.154 -3.056) 5.767 22.687 ( -16.526 -23.364 24.073) 37.397 23.053 ( 8.451 -11.089 -12.616) 18.803 23.862 ( 2.223 10.821 10.404) 15.175 24.293 ( 2.693 14.062 -15.641) 21.205 ======================= Grid point 772 (395/433) ======================= q-point: (-0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 6.821 9.661 0.982) 11.867 2.855 ( -1.865 -7.772 -8.412) 11.603 3.703 ( 20.352 -1.440 21.880) 29.917 4.131 ( -16.746 -3.549 -19.889) 26.241 4.959 ( 4.194 -1.748 3.179) 5.545 5.037 ( -5.267 -2.321 -4.855) 7.530 6.306 ( 4.491 -4.786 8.995) 11.135 6.477 ( -5.259 -4.921 -6.647) 9.801 6.812 ( 8.234 7.365 5.510) 12.345 6.941 ( -0.849 3.797 -5.845) 7.021 8.500 ( 6.968 -1.942 7.402) 10.350 8.592 ( -5.170 0.533 -0.464) 5.218 9.266 ( 2.277 0.539 4.098) 4.719 9.370 ( -10.859 -1.120 -6.866) 12.896 11.765 ( -3.139 -1.908 3.162) 4.847 11.826 ( 4.549 -4.835 -2.802) 7.205 12.018 ( 1.547 0.866 6.645) 6.877 12.194 ( -0.966 3.738 -9.680) 10.421 14.230 ( 3.714 0.575 6.457) 7.471 14.318 ( -6.242 1.466 -2.208) 6.781 22.977 ( -9.365 -2.889 16.332) 19.047 23.066 ( -5.832 2.408 9.274) 11.217 23.924 ( 10.552 -7.868 -5.840) 14.400 24.034 ( 2.001 6.109 -15.064) 16.379 ======================= Grid point 773 (396/433) ======================= q-point: (-0.17 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -2.392 -5.004 15.927) 16.865 3.023 ( 4.373 -18.740 -20.150) 27.863 3.792 ( -22.548 -2.353 -9.435) 24.556 4.112 ( 19.981 -0.394 6.648) 21.062 5.029 ( -2.015 -4.897 0.172) 5.298 5.105 ( 6.066 -5.992 -0.713) 8.556 6.337 ( -9.859 3.752 3.790) 11.209 6.500 ( 2.796 -1.945 -5.325) 6.321 6.772 ( 2.235 6.002 7.505) 9.867 6.844 ( 0.571 0.598 -10.359) 10.391 8.528 ( -2.990 4.103 3.253) 6.029 8.577 ( -0.189 -1.801 -1.846) 2.586 9.232 ( -9.513 0.795 -1.281) 9.631 9.368 ( 10.226 0.533 7.830) 12.890 11.774 ( -5.667 -1.849 4.033) 7.197 11.925 ( 6.115 -1.463 -5.678) 8.472 12.057 ( -2.027 -0.115 -1.013) 2.269 12.124 ( 5.564 -1.754 -0.601) 5.865 14.187 ( -6.516 5.424 0.283) 8.483 14.269 ( 4.017 3.056 3.577) 6.186 22.709 ( -12.529 23.554 24.800) 36.425 23.061 ( 5.152 8.709 -10.248) 14.402 23.967 ( -8.933 -11.338 -0.203) 14.436 24.235 ( 12.625 -15.795 -9.669) 22.413 ======================= Grid point 774 (397/433) ======================= q-point: (-0.08 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( -9.936 -16.304 23.639) 30.387 3.312 ( 7.680 -22.327 -25.166) 34.508 3.530 ( -24.744 -3.981 -17.018) 30.294 4.321 ( 15.533 1.608 8.775) 17.913 5.131 ( 0.154 -5.899 3.256) 6.739 5.281 ( 8.937 -7.613 -2.690) 12.045 6.126 ( -15.388 7.831 2.425) 17.435 6.442 ( 0.401 3.442 -9.333) 9.955 6.712 ( -3.227 5.769 3.427) 7.445 6.881 ( 7.237 -5.299 -6.639) 11.159 8.354 ( -10.142 8.559 0.017) 13.271 8.630 ( 3.732 -1.953 -0.078) 4.213 9.119 ( -8.267 2.457 0.825) 8.663 9.539 ( 13.034 -0.845 11.693) 17.530 11.757 ( -5.271 -0.193 0.079) 5.276 11.893 ( 0.494 3.597 -2.658) 4.500 12.059 ( -0.321 -3.371 -4.328) 5.495 12.285 ( 11.681 -5.105 0.585) 12.761 14.022 ( -6.793 6.531 0.588) 9.442 14.248 ( 5.021 6.096 2.006) 8.148 22.303 ( -16.056 25.762 30.069) 42.727 22.787 ( 12.949 19.387 -24.612) 33.901 24.161 ( -12.641 -18.430 6.717) 23.336 24.569 ( 9.777 -16.023 -5.863) 19.665 ======================= Grid point 779 (398/433) ======================= q-point: ( 0.33 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 30.540 0.000 -3.222) 30.710 4.059 ( 1.405 0.000 -7.986) 8.109 4.589 ( -7.143 -0.000 -0.697) 7.177 4.639 ( -11.144 -0.000 -4.247) 11.926 5.273 ( 16.584 0.000 1.686) 16.669 5.391 ( 6.957 0.000 -11.416) 13.369 5.400 ( -7.330 -0.000 6.525) 9.813 5.730 ( -13.219 -0.000 14.278) 19.458 6.586 ( -4.824 -0.000 6.667) 8.230 6.713 ( -6.509 -0.000 -8.296) 10.545 8.066 ( 18.720 0.000 -8.168) 20.424 8.865 ( -2.636 -0.000 8.892) 9.275 8.918 ( -2.934 -0.000 11.077) 11.459 9.944 ( -7.249 -0.000 -11.998) 14.018 11.524 ( -11.740 -0.000 13.752) 18.081 11.817 ( 6.981 0.000 -0.582) 7.005 11.852 ( 4.213 0.000 -8.266) 9.278 12.820 ( 9.008 0.000 -19.192) 21.201 13.854 ( -0.307 -0.000 0.666) 0.733 13.937 ( 6.681 0.000 -6.164) 9.090 21.210 ( -21.933 -0.000 35.388) 41.634 21.793 ( 18.695 0.000 -31.383) 36.529 24.604 ( -4.183 -0.000 9.893) 10.741 25.316 ( -6.994 -0.000 2.311) 7.366 ======================= Grid point 780 (399/433) ======================= q-point: ( 0.42 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 36.245 1.563 1.535) 36.311 3.993 ( 1.808 3.956 -8.513) 9.559 4.400 ( -20.114 13.559 13.778) 27.897 4.438 ( -2.023 6.203 -11.376) 13.114 5.339 ( -5.872 1.119 -1.424) 6.145 5.371 ( 6.525 0.111 -10.573) 12.425 5.550 ( 11.600 -9.231 2.548) 15.042 5.746 ( -8.424 -3.995 13.303) 16.245 6.555 ( -3.930 0.889 4.491) 6.034 6.704 ( -3.761 -7.795 -4.674) 9.837 8.144 ( 19.350 6.681 -4.809) 21.029 8.908 ( -1.729 -1.371 9.289) 9.547 8.961 ( -4.535 -1.904 9.868) 11.026 9.775 ( -11.179 1.014 -14.639) 18.447 11.498 ( -9.140 -0.504 11.609) 14.784 11.822 ( 4.874 -1.763 -14.693) 15.580 11.939 ( 4.084 -1.152 10.135) 10.988 12.768 ( 7.292 2.581 -19.083) 20.592 13.843 ( 0.933 0.467 1.151) 1.553 14.015 ( 3.963 -5.794 -6.193) 9.361 21.287 ( -22.049 -9.878 34.886) 42.435 21.870 ( 18.863 -8.722 -30.808) 37.162 24.590 ( -2.181 5.058 11.267) 12.542 25.210 ( -6.813 5.302 -0.528) 8.650 ======================= Grid point 781 (400/433) ======================= q-point: ( 0.50 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 35.162 2.607 5.391) 35.668 3.867 ( 6.358 9.964 -9.034) 14.877 3.991 ( -21.852 21.505 19.846) 36.522 4.268 ( -4.306 2.920 -11.786) 12.883 5.242 ( -8.717 0.940 -2.620) 9.151 5.312 ( 3.441 5.332 -10.912) 12.623 5.801 ( 8.642 -6.016 -0.855) 10.564 5.863 ( -5.730 -10.352 12.930) 17.526 6.585 ( 2.574 -3.371 3.060) 5.230 6.820 ( -2.512 -10.970 -4.080) 11.971 8.173 ( 20.798 8.972 1.119) 22.678 8.949 ( -8.055 0.504 12.965) 15.272 9.007 ( -2.323 -3.660 3.962) 5.873 9.568 ( -11.999 0.047 -16.181) 20.145 11.510 ( -4.685 -2.043 8.101) 9.578 11.814 ( 2.834 -1.504 -12.049) 12.469 12.033 ( 1.689 0.434 11.732) 11.861 12.659 ( 4.670 4.723 -17.908) 19.100 13.885 ( 1.001 -2.848 3.750) 4.814 14.119 ( 1.617 -7.202 -6.402) 9.771 21.513 ( -21.968 -17.972 33.896) 44.210 22.089 ( 19.019 -15.937 -29.784) 38.766 24.515 ( -0.784 9.929 12.776) 16.199 25.016 ( -4.908 9.346 -4.459) 11.459 ======================= Grid point 782 (401/433) ======================= q-point: ( 0.58 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 30.086 2.277 9.470) 31.623 3.504 ( -23.855 22.685 23.765) 40.601 3.685 ( 16.886 17.765 -15.092) 28.783 4.124 ( -11.742 -1.812 -12.040) 16.915 5.129 ( -7.409 1.553 -3.332) 8.271 5.159 ( 0.365 7.488 -7.472) 10.584 5.948 ( 3.860 -4.675 6.018) 8.543 6.067 ( -3.902 -11.724 3.789) 12.924 6.734 ( 7.414 -5.830 2.241) 9.695 6.947 ( -1.946 -8.633 -6.074) 10.734 8.268 ( 23.221 5.772 7.814) 25.171 8.850 ( -17.122 3.405 5.827) 18.404 9.087 ( -1.739 -4.587 4.924) 6.951 9.409 ( -7.605 -1.932 -13.984) 16.035 11.567 ( -0.593 -3.181 5.214) 6.136 11.786 ( 0.010 -0.258 -8.788) 8.791 12.083 ( 0.389 2.240 11.777) 11.994 12.508 ( 2.153 5.468 -15.854) 16.908 13.992 ( 0.745 -5.202 6.417) 8.294 14.210 ( -0.453 -6.770 -6.187) 9.183 21.849 ( -21.447 -23.221 32.134) 45.076 22.415 ( 18.574 -20.202 -27.861) 39.107 24.378 ( -0.202 14.235 14.139) 20.065 24.764 ( -2.031 12.158 -8.881) 15.193 ======================= Grid point 783 (402/433) ======================= q-point: (-0.33 -0.67 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -19.578 17.819 17.407) 31.683 3.402 ( 18.458 22.910 -15.092) 33.066 3.667 ( 20.372 -0.146 13.702) 24.552 3.973 ( -14.813 -4.259 -15.758) 22.043 5.025 ( -7.359 1.295 -1.778) 7.681 5.031 ( 3.686 5.208 -2.345) 6.797 6.111 ( 3.951 -5.896 7.942) 10.652 6.217 ( -4.391 -9.798 -2.486) 11.020 6.894 ( 6.267 -2.960 2.712) 7.443 6.992 ( -2.568 -3.135 -6.979) 8.070 8.474 ( 22.287 2.009 11.051) 24.958 8.626 ( -20.228 2.004 -2.724) 20.508 9.173 ( -4.217 -4.520 6.575) 9.024 9.335 ( -0.942 -1.487 -9.354) 9.519 11.658 ( 1.733 -3.909 2.976) 5.209 11.737 ( -2.000 -0.205 -5.190) 5.566 12.101 ( 0.263 3.084 11.026) 11.452 12.350 ( 0.802 5.061 -13.565) 14.501 14.130 ( 0.114 -5.469 7.844) 9.563 14.265 ( -1.738 -4.509 -5.380) 7.232 22.244 ( -19.927 -25.395 29.203) 43.529 22.782 ( 15.989 -19.934 -23.482) 34.704 24.191 ( 0.236 16.452 14.387) 21.857 24.475 ( 0.996 14.068 -13.350) 19.420 ======================= Grid point 784 (403/433) ======================= q-point: (-0.25 -0.67 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -11.978 6.076 5.876) 14.660 3.094 ( 13.789 20.661 -11.086) 27.201 3.684 ( -25.355 -3.406 -10.413) 27.620 4.047 ( 21.909 -3.217 6.960) 23.212 4.945 ( -4.855 0.113 -2.194) 5.329 5.028 ( 6.488 1.263 3.361) 7.415 6.281 ( -4.434 -5.893 -3.256) 8.062 6.306 ( 2.981 -7.297 4.916) 9.290 6.920 ( -6.501 2.463 -7.075) 9.919 6.960 ( 2.833 1.402 1.104) 3.349 8.442 ( -15.315 -3.880 -5.776) 16.822 8.662 ( 14.357 3.929 7.432) 16.637 9.201 ( -8.331 -2.590 3.715) 9.482 9.376 ( 9.872 -1.237 1.688) 10.092 11.689 ( -5.339 -2.015 -0.371) 5.719 11.783 ( 5.001 -4.383 -0.824) 6.701 12.113 ( 1.351 2.673 9.869) 10.314 12.206 ( 0.338 4.503 -11.585) 12.434 14.228 ( -5.039 -3.185 1.554) 6.160 14.293 ( 2.215 -1.654 2.240) 3.558 22.649 ( -16.796 -24.087 24.635) 38.330 23.071 ( 7.857 -9.967 -11.397) 17.057 24.024 ( 3.694 10.624 8.457) 14.073 24.166 ( 3.306 14.490 -16.850) 22.468 ======================= Grid point 785 (404/433) ======================= q-point: (-0.17 -0.67 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -2.885 -8.001 -8.083) 11.733 2.881 ( 4.457 9.391 -0.593) 10.412 3.409 ( -27.433 -3.421 -18.728) 33.392 4.350 ( 19.418 -2.046 12.684) 23.283 4.922 ( -2.030 -3.390 -2.417) 4.632 5.125 ( 8.367 -1.582 4.539) 9.650 6.256 ( -8.915 -1.915 -5.939) 10.882 6.470 ( 0.043 -2.567 5.992) 6.519 6.741 ( -7.488 0.490 -11.706) 13.905 6.927 ( 0.954 4.684 -0.024) 4.780 8.428 ( -6.249 -8.413 -3.840) 11.161 8.646 ( 1.069 8.460 0.908) 8.575 9.188 ( -4.389 -0.007 4.226) 6.093 9.540 ( 14.287 -0.332 10.224) 17.572 11.685 ( -6.073 -3.166 1.497) 7.011 11.894 ( 4.592 -4.233 -3.290) 7.059 12.071 ( -0.265 4.674 -7.905) 9.187 12.167 ( 4.833 -0.713 6.277) 7.954 14.176 ( -6.338 1.489 -2.055) 6.828 14.365 ( 3.164 0.358 6.315) 7.072 22.981 ( -9.580 -12.094 16.001) 22.228 23.065 ( -5.594 9.058 9.539) 14.295 23.871 ( 1.310 9.166 -14.946) 17.581 24.084 ( 11.114 -7.385 -6.205) 14.716 ======================= Grid point 786 (405/433) ======================= q-point: (-0.08 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -10.311 -7.150 1.691) 12.661 2.889 ( 4.167 -16.599 -17.629) 24.570 3.143 ( -20.624 -4.556 -12.406) 24.495 4.548 ( 11.722 3.646 9.395) 15.459 5.032 ( 2.652 -9.553 1.894) 10.093 5.268 ( 10.378 -3.067 1.406) 10.912 6.096 ( -15.734 4.970 -2.256) 16.654 6.378 ( -7.456 1.403 -10.072) 12.609 6.792 ( 5.551 -7.391 -5.410) 10.710 6.824 ( -1.855 6.418 0.267) 6.686 8.444 ( -6.597 11.233 -0.902) 13.058 8.536 ( -0.885 -8.694 -0.864) 8.781 9.152 ( -2.638 3.640 5.145) 6.832 9.732 ( 13.537 0.716 12.641) 18.535 11.687 ( -5.330 -2.150 0.059) 5.747 11.943 ( 1.345 3.335 -4.605) 5.842 11.981 ( 0.184 -2.752 -3.746) 4.652 12.302 ( 9.010 -4.532 1.848) 10.254 14.058 ( -6.049 4.544 -0.634) 7.593 14.391 ( 3.392 3.705 4.566) 6.788 22.743 ( -12.753 23.342 23.621) 35.573 23.045 ( 6.237 9.725 -11.594) 16.368 23.810 ( -9.256 -11.645 2.560) 15.094 24.352 ( 10.985 -15.184 -8.976) 20.779 ======================= Grid point 792 (406/433) ======================= q-point: ( 0.42 0.42 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 37.097 0.000 1.901) 37.145 3.973 ( -2.836 -0.000 -5.751) 6.412 4.392 ( -14.383 -0.000 1.480) 14.459 4.393 ( -10.348 -0.000 -3.419) 10.898 5.327 ( -5.434 -0.000 3.848) 6.658 5.370 ( 0.836 0.000 -5.754) 5.815 5.577 ( 10.121 0.000 4.173) 10.947 5.722 ( -0.964 -0.000 6.779) 6.847 6.543 ( -6.911 -0.000 5.907) 9.091 6.593 ( 2.483 0.000 -6.533) 6.989 8.368 ( 20.923 0.000 -2.014) 21.020 8.933 ( -0.279 -0.000 7.918) 7.923 8.947 ( -7.756 -0.000 10.642) 13.169 9.585 ( -12.751 -0.000 -17.494) 21.648 11.466 ( -11.356 -0.000 14.588) 18.487 11.778 ( 7.042 0.000 -16.178) 17.644 12.034 ( 4.533 0.000 12.176) 12.992 12.747 ( 6.171 0.000 -19.941) 20.874 13.855 ( -0.499 -0.000 0.995) 1.113 13.965 ( 4.250 0.000 -7.138) 8.308 21.190 ( -22.330 -0.000 34.979) 41.498 21.799 ( 19.142 0.000 -30.750) 36.221 24.687 ( 0.337 0.000 11.495) 11.500 25.182 ( -7.580 -0.000 -1.714) 7.771 ======================= Grid point 793 (407/433) ======================= q-point: ( 0.50 0.42 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 32.283 1.530 2.324) 32.403 3.897 ( -7.070 0.211 -4.629) 8.453 4.162 ( -20.963 11.572 12.074) 26.817 4.262 ( -2.145 4.392 -8.263) 9.600 5.216 ( -9.892 4.822 7.006) 13.045 5.379 ( 7.527 1.175 -11.866) 14.101 5.713 ( -4.919 -5.829 11.021) 13.403 5.796 ( 8.158 -3.765 -1.769) 9.157 6.543 ( -3.031 -3.623 4.382) 6.443 6.649 ( 4.203 -5.714 -5.979) 9.277 8.513 ( 22.069 5.671 3.046) 22.988 8.908 ( -14.878 0.186 9.153) 17.469 8.985 ( -0.176 -1.286 6.738) 6.862 9.378 ( -8.829 -0.166 -18.135) 20.171 11.466 ( -9.044 -2.206 13.452) 16.359 11.765 ( 6.801 -0.696 -14.997) 16.482 12.134 ( 2.410 0.742 13.689) 13.919 12.660 ( 3.773 2.748 -19.768) 20.312 13.868 ( -0.278 -1.546 2.462) 2.921 13.998 ( 2.221 -4.381 -7.075) 8.613 21.260 ( -22.399 -9.715 34.647) 42.385 21.885 ( 19.418 -8.993 -30.322) 37.113 24.718 ( 2.206 5.273 11.889) 13.192 25.060 ( -6.408 4.714 -4.112) 8.955 ======================= Grid point 794 (408/433) ======================= q-point: (-0.42 -0.58 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 14.956 1.979 4.576) 15.765 3.773 ( -19.181 17.823 21.190) 33.683 3.791 ( -12.083 -0.332 -6.623) 13.783 4.122 ( 11.056 10.495 -12.925) 19.986 5.098 ( -8.176 3.386 5.603) 10.474 5.295 ( 9.151 8.714 -13.226) 18.292 5.834 ( -10.899 -10.951 10.184) 18.505 5.937 ( 6.331 -4.645 0.120) 7.853 6.665 ( 1.396 -8.505 2.267) 8.912 6.769 ( 4.312 -7.330 -7.164) 11.120 8.632 ( 14.226 5.826 8.432) 17.533 8.735 ( -14.307 3.972 -0.389) 14.853 9.045 ( -2.638 -2.529 8.492) 9.245 9.272 ( -0.011 -2.005 -13.403) 13.552 11.522 ( -5.143 -4.036 10.647) 12.494 11.748 ( 4.472 0.285 -12.037) 12.844 12.195 ( 0.386 2.258 13.733) 13.923 12.516 ( 1.274 4.269 -18.141) 18.680 13.938 ( -0.892 -4.681 5.370) 7.180 14.065 ( 0.941 -6.084 -7.064) 9.370 21.479 ( -22.270 -17.647 33.821) 44.173 22.118 ( 19.572 -16.324 -29.494) 38.980 24.674 ( 2.825 10.560 12.316) 16.468 24.869 ( -3.771 8.472 -7.235) 11.762 ======================= Grid point 795 (409/433) ======================= q-point: (-0.33 -0.58 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -24.135 21.231 21.892) 38.891 3.546 ( -26.452 -1.402 -7.214) 27.454 3.894 ( 17.841 11.174 -7.287) 22.277 3.974 ( 20.889 6.635 -5.357) 22.562 5.009 ( -5.211 3.124 4.326) 7.458 5.170 ( 7.599 7.398 -4.923) 11.693 5.980 ( -8.072 -11.530 2.371) 14.273 6.076 ( 3.334 -5.911 3.456) 7.615 6.811 ( -2.731 -7.292 -3.584) 8.572 6.895 ( 5.641 -5.766 -2.701) 8.506 8.403 ( -26.744 2.145 -4.523) 27.208 8.827 ( 24.688 5.595 7.269) 26.337 9.104 ( -5.872 -2.527 8.263) 10.447 9.284 ( 6.197 -3.427 -6.711) 9.756 11.610 ( -2.601 -3.993 5.904) 7.587 11.710 ( 1.960 0.656 -6.391) 6.717 12.219 ( -0.422 3.204 12.612) 13.020 12.357 ( 0.397 4.159 -15.295) 15.855 14.049 ( -3.542 -6.162 5.523) 9.001 14.146 ( 1.814 -6.236 -4.589) 7.952 21.807 ( -21.519 -22.960 32.123) 44.968 22.454 ( 18.681 -20.273 -27.474) 38.920 24.545 ( 1.800 14.903 11.895) 19.153 24.632 ( -0.082 11.652 -10.023) 15.370 ======================= Grid point 796 (410/433) ======================= q-point: (-0.25 -0.58 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -19.799 16.320 17.377) 30.989 3.246 ( -30.917 -0.962 -12.744) 33.454 3.614 ( 18.214 23.947 -18.957) 35.561 4.198 ( 15.877 -5.008 6.644) 17.925 4.946 ( -2.034 3.170 3.972) 5.474 5.150 ( 8.187 3.120 3.082) 9.288 6.078 ( -6.261 -8.063 -4.395) 11.114 6.248 ( 2.896 -8.185 4.990) 10.014 6.799 ( -9.703 -1.378 -8.428) 12.926 6.991 ( 1.388 -0.877 1.458) 2.196 8.171 ( -17.834 -4.596 -6.560) 19.550 8.931 ( 13.251 8.094 1.843) 15.637 9.119 ( -5.110 -2.996 5.257) 7.920 9.451 ( 14.030 -4.890 5.036) 15.688 11.614 ( -4.440 -0.681 -1.645) 4.784 11.759 ( 3.218 -3.450 2.245) 5.224 12.204 ( -0.590 3.253 -4.951) 5.953 12.241 ( 1.341 3.741 3.281) 5.154 14.112 ( -5.554 -4.599 -0.461) 7.226 14.269 ( 2.484 -5.707 3.241) 7.018 22.201 ( -19.732 -25.464 29.324) 43.562 22.817 ( 15.344 -19.290 -22.540) 33.401 24.331 ( 1.145 15.016 -2.746) 15.308 24.377 ( 2.990 15.907 0.241) 16.187 ======================= Grid point 797 (411/433) ======================= q-point: (-0.17 -0.58 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -11.516 5.171 6.774) 14.326 2.894 ( -29.911 -0.442 -16.612) 34.217 3.281 ( 11.429 19.054 -14.636) 26.607 4.479 ( 13.224 -7.558 7.688) 17.061 4.905 ( 0.218 2.948 2.989) 4.204 5.231 ( 9.431 0.531 6.607) 11.528 6.089 ( -6.869 -4.157 -7.953) 11.301 6.448 ( 2.432 -7.221 7.206) 10.487 6.583 ( -17.688 3.202 -11.796) 21.500 6.977 ( -0.654 2.242 -1.099) 2.581 8.180 ( -5.487 -10.989 -3.447) 12.757 8.820 ( 0.715 10.496 -2.441) 10.800 9.176 ( -0.968 -1.996 5.951) 6.351 9.707 ( 15.997 -3.041 9.653) 18.929 11.590 ( -5.425 -2.334 0.871) 5.969 11.856 ( 3.360 -3.227 -0.175) 4.662 12.094 ( 0.905 3.540 -10.503) 11.120 12.251 ( 2.150 1.679 8.625) 9.046 14.108 ( -5.555 -1.772 -1.776) 6.095 14.395 ( 1.907 -3.504 5.697) 6.955 22.615 ( -16.598 -24.765 25.079) 38.958 23.088 ( 6.932 -8.986 -10.110) 15.199 24.041 ( 4.617 15.324 -16.634) 23.083 24.184 ( 4.082 10.778 5.077) 12.594 ======================= Grid point 798 (412/433) ======================= q-point: (-0.08 -0.58 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -21.565 -3.412 -14.714) 26.328 2.606 ( -6.617 -7.451 -10.541) 14.506 3.058 ( 3.602 8.340 -3.577) 9.763 4.735 ( 9.204 -0.728 8.866) 12.801 4.912 ( 2.260 -5.265 0.208) 5.734 5.362 ( 10.926 -0.577 6.160) 12.556 5.993 ( -11.528 1.339 -7.292) 13.706 6.268 ( -15.148 3.510 -8.750) 17.842 6.669 ( 3.485 -9.695 0.932) 10.344 6.897 ( -0.979 4.810 -3.672) 6.130 8.350 ( -0.109 -11.769 0.310) 11.774 8.592 ( -4.305 12.506 -2.523) 13.464 9.210 ( -0.837 1.014 5.766) 5.914 9.922 ( 12.423 -0.201 10.200) 16.075 11.598 ( -4.996 -3.027 1.675) 6.076 11.922 ( 2.053 -2.615 -2.225) 4.001 11.989 ( 0.739 3.936 -7.210) 8.248 12.323 ( 5.016 -2.240 3.781) 6.669 14.055 ( -4.892 1.372 -0.674) 5.125 14.473 ( 1.591 -0.088 5.112) 5.355 22.976 ( -9.840 -16.782 15.732) 25.019 23.070 ( -5.921 11.864 10.532) 16.933 23.749 ( 3.848 11.250 -15.437) 19.486 24.202 ( 9.089 -6.263 -6.611) 12.866 ======================= Grid point 805 (413/433) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 23.861 0.000 -0.652) 23.870 3.749 ( -19.037 -0.000 -4.757) 19.622 4.183 ( -9.981 -0.000 7.040) 12.214 4.231 ( -4.776 -0.000 2.595) 5.435 5.263 ( -9.415 -0.000 9.156) 13.133 5.307 ( -6.056 -0.000 3.582) 7.036 5.749 ( 9.018 0.000 -2.996) 9.502 5.801 ( 7.631 0.000 -5.399) 9.348 6.486 ( -5.345 -0.000 5.114) 7.397 6.632 ( 8.999 0.000 -7.869) 11.954 8.782 ( -23.635 -0.000 6.535) 24.522 8.788 ( 21.145 0.000 7.668) 22.492 9.015 ( 2.181 0.000 3.424) 4.060 9.222 ( -2.907 -0.000 -15.624) 15.892 11.437 ( -9.610 -0.000 15.402) 18.154 11.749 ( 8.954 0.000 -15.749) 18.117 12.238 ( 0.942 0.000 15.131) 15.160 12.598 ( 1.461 0.000 -20.608) 20.660 13.859 ( -1.031 -0.000 2.200) 2.430 13.942 ( 1.692 0.000 -6.407) 6.627 21.162 ( -22.430 -0.000 34.818) 41.417 21.819 ( 19.528 0.000 -30.280) 36.031 24.859 ( 4.719 0.000 11.101) 12.063 25.017 ( -6.121 -0.000 -4.882) 7.829 ======================= Grid point 806 (414/433) ======================= q-point: (-0.42 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( -28.774 -0.538 -5.338) 29.270 3.846 ( 3.104 2.948 1.399) 4.504 4.014 ( -5.191 11.465 15.312) 19.821 4.287 ( 9.996 0.274 -0.895) 10.040 5.142 ( -8.289 4.965 10.002) 13.907 5.373 ( 0.729 -4.531 -3.825) 5.975 5.702 ( -1.692 4.233 1.239) 4.725 5.918 ( 7.988 -4.315 -4.872) 10.304 6.538 ( -0.755 -6.924 2.415) 7.372 6.701 ( 8.937 -3.312 -8.781) 12.959 8.531 ( -28.335 3.555 1.741) 28.610 9.005 ( 23.360 3.597 6.343) 24.471 9.040 ( -1.799 -0.542 6.815) 7.069 9.177 ( 2.514 -2.839 -11.058) 11.690 11.468 ( -7.368 -3.131 14.421) 16.494 11.744 ( 8.283 0.648 -14.147) 16.406 12.307 ( -1.090 1.588 15.273) 15.394 12.468 ( -1.097 1.966 -19.657) 19.786 13.885 ( -1.831 -2.744 3.598) 4.881 13.954 ( 1.102 -3.722 -5.634) 6.841 21.229 ( -22.365 -9.455 34.634) 42.297 21.913 ( 19.710 -9.312 -30.043) 37.118 24.897 ( -3.144 4.887 -3.211) 6.639 24.923 ( 4.823 5.235 7.101) 10.054 ======================= Grid point 807 (415/433) ======================= q-point: (-0.33 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -34.759 -0.930 -7.329) 35.535 3.563 ( -21.587 19.229 20.369) 35.365 4.058 ( 9.871 -0.853 5.010) 11.103 4.321 ( 18.885 10.227 -8.146) 22.970 5.067 ( -4.161 3.641 9.088) 10.638 5.360 ( 12.014 7.621 -10.585) 17.733 5.704 ( -13.987 -10.671 8.393) 19.492 6.019 ( 3.039 -4.443 -1.716) 5.650 6.669 ( 1.412 -5.562 -3.957) 6.971 6.818 ( 7.118 -7.173 -5.230) 11.378 8.197 ( -27.140 4.777 -1.088) 27.579 9.039 ( -0.685 -0.574 1.413) 1.672 9.168 ( 11.749 3.896 -4.040) 13.021 9.265 ( 12.776 -4.422 8.381) 15.906 11.551 ( -4.197 -4.054 9.836) 11.436 11.717 ( 4.411 1.502 -8.552) 9.739 12.314 ( -2.184 2.537 -10.928) 11.430 12.340 ( -1.287 2.174 8.446) 8.816 13.939 ( -3.711 -4.436 1.445) 5.962 14.035 ( 1.578 -6.772 -1.333) 7.080 21.443 ( -22.029 -17.258 33.854) 43.922 22.155 ( 19.567 -16.656 -29.323) 38.988 24.726 ( -1.765 8.090 -7.929) 11.464 24.880 ( 5.698 11.607 9.077) 15.798 ======================= Grid point 808 (416/433) ======================= q-point: (-0.25 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -36.315 -1.329 -9.769) 37.629 3.130 ( -22.742 20.793 23.161) 38.548 4.107 ( 20.204 20.214 -15.285) 32.410 4.256 ( 9.398 -1.898 1.438) 9.695 5.036 ( -0.691 3.601 9.250) 9.950 5.316 ( 10.649 5.067 0.411) 11.801 5.831 ( -10.555 -12.078 2.074) 16.174 6.127 ( -0.134 -8.106 -1.283) 8.208 6.666 ( -4.809 0.337 -7.779) 9.152 6.970 ( 2.412 -4.469 0.666) 5.122 7.933 ( -16.737 -1.148 -2.801) 17.009 9.043 ( -5.875 -0.897 2.275) 6.364 9.153 ( 9.528 4.127 -6.100) 12.043 9.544 ( 17.106 -5.009 10.431) 20.652 11.571 ( -3.060 0.682 -1.325) 3.404 11.743 ( 1.378 -3.192 4.230) 5.476 12.192 ( -0.564 2.114 -12.401) 12.592 12.346 ( -1.080 2.894 11.313) 11.727 13.979 ( -4.588 -4.699 -1.172) 6.671 14.183 ( 1.241 -8.076 2.844) 8.651 21.770 ( -20.976 -22.712 32.195) 44.635 22.492 ( 18.148 -20.236 -27.132) 38.406 24.509 ( 1.310 11.282 -10.593) 15.531 24.732 ( 3.756 16.376 8.762) 18.949 ======================= Grid point 809 (417/433) ======================= q-point: (-0.17 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -33.114 -1.943 -11.602) 35.142 2.738 ( -18.284 15.688 19.274) 30.853 3.742 ( 18.320 27.542 -21.248) 39.315 4.455 ( 7.590 -8.490 3.525) 11.921 5.023 ( 1.537 4.521 9.118) 10.293 5.379 ( 10.265 1.875 6.772) 12.439 5.905 ( -7.283 -6.516 -3.826) 10.495 6.261 ( -6.414 -10.546 -7.161) 14.270 6.501 ( -10.069 4.966 0.354) 11.233 6.996 ( -1.278 1.230 0.381) 1.814 7.944 ( -2.102 -10.483 -2.055) 10.887 8.945 ( -3.737 6.551 -2.998) 8.116 9.176 ( 3.193 -0.992 0.868) 3.454 9.831 ( 15.128 -4.747 8.324) 17.907 11.523 ( -4.546 -0.457 0.620) 4.611 11.839 ( 1.980 -2.945 3.316) 4.857 12.095 ( 0.801 2.286 -10.379) 10.658 12.347 ( -0.208 2.674 9.214) 9.596 14.003 ( -4.597 -3.844 -1.540) 6.187 14.344 ( 0.619 -7.059 4.461) 8.374 22.168 ( -18.976 -25.488 29.546) 43.390 22.846 ( 14.296 -18.722 -21.713) 32.036 24.253 ( 4.544 14.136 -13.755) 20.240 24.505 ( 1.544 17.895 7.954) 19.644 ======================= Grid point 810 (418/433) ======================= q-point: (-0.08 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -24.028 -2.137 -10.699) 26.389 2.513 ( -9.321 4.277 8.813) 13.523 3.348 ( 12.237 21.869 -15.913) 29.686 4.703 ( 6.596 -10.850 2.235) 12.893 4.997 ( 2.302 6.453 7.578) 10.216 5.495 ( 9.793 0.113 7.466) 12.315 5.875 ( -6.625 -0.557 -6.671) 9.418 6.109 ( -18.617 1.641 -9.209) 20.835 6.555 ( 1.804 -8.225 5.737) 10.189 6.940 ( -0.536 3.392 -3.045) 4.590 8.154 ( 2.647 -12.754 0.878) 13.055 8.741 ( -3.928 10.895 -3.746) 12.172 9.227 ( 0.124 -1.440 3.252) 3.558 10.048 ( 9.773 -2.319 6.036) 11.718 11.520 ( -4.402 -2.521 3.295) 6.049 11.902 ( 1.563 -1.327 0.377) 2.085 12.013 ( 1.715 2.634 -8.575) 9.133 12.362 ( 1.039 0.550 5.615) 5.737 14.008 ( -3.704 -1.899 -0.500) 4.192 14.469 ( -0.074 -4.258 4.457) 6.164 22.594 ( -15.906 -25.094 25.539) 39.179 23.101 ( 5.828 -8.287 -9.010) 13.558 23.966 ( 7.374 16.182 -16.616) 24.337 24.287 ( 2.248 11.093 2.562) 11.604 ======================= Grid point 818 (419/433) ======================= q-point: (-0.42 -0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -35.690 -0.000 -4.842) 36.017 3.895 ( -0.737 -0.000 2.295) 2.410 4.188 ( -4.673 -0.000 15.425) 16.118 4.336 ( 7.056 0.000 6.112) 9.335 5.193 ( -9.552 -0.000 10.539) 14.224 5.235 ( -8.105 -0.000 7.173) 10.823 5.843 ( 7.196 0.000 -13.285) 15.109 5.876 ( 11.589 0.000 -7.365) 13.731 6.483 ( 0.797 0.000 3.147) 3.246 6.711 ( 9.687 0.000 -9.844) 13.811 8.316 ( -28.804 -0.000 3.088) 28.969 9.066 ( 0.326 0.000 2.894) 2.912 9.100 ( 1.409 0.000 -9.072) 9.180 9.283 ( 21.093 0.000 8.729) 22.828 11.456 ( -7.068 -0.000 15.918) 17.416 11.759 ( 10.287 0.000 -14.720) 17.958 12.349 ( -4.307 -0.000 -19.505) 19.975 12.387 ( -3.137 -0.000 15.772) 16.082 13.861 ( -2.291 -0.000 3.345) 4.055 13.902 ( 0.545 0.000 -4.096) 4.132 21.135 ( -22.215 -0.000 34.996) 41.452 21.847 ( 19.640 0.000 -30.142) 35.976 24.866 ( -3.322 -0.000 -6.442) 7.248 25.086 ( 8.024 0.000 8.307) 11.549 ======================= Grid point 819 (420/433) ======================= q-point: (-0.33 -0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -39.023 -0.271 -4.611) 39.296 3.784 ( -12.653 13.261 14.393) 23.305 4.161 ( 0.450 3.165 11.938) 12.358 4.507 ( 10.494 -3.260 2.709) 11.317 5.132 ( -4.750 2.360 9.980) 11.302 5.308 ( -8.949 -9.809 5.649) 14.430 5.695 ( 6.799 10.905 -12.482) 17.915 5.974 ( 5.691 -2.273 -6.283) 8.777 6.595 ( 6.046 -6.220 -0.523) 8.690 6.757 ( 7.746 -2.608 -9.203) 12.309 8.045 ( -26.241 4.099 4.486) 26.935 9.028 ( -1.365 1.426 -1.848) 2.704 9.142 ( 3.672 -4.235 -7.464) 9.335 9.500 ( 17.851 1.313 11.415) 21.229 11.512 ( -4.987 -2.998 14.135) 15.286 11.750 ( 7.601 2.524 -11.915) 14.357 12.207 ( -4.748 -0.910 -16.832) 17.512 12.424 ( -4.166 1.451 15.129) 15.760 13.862 ( -3.005 -1.441 0.759) 3.418 13.936 ( 0.200 -5.088 -0.197) 5.095 21.204 ( -21.994 -9.156 34.906) 42.261 21.945 ( 19.591 -9.580 -30.069) 37.144 24.773 ( -1.313 4.045 -7.002) 8.192 25.145 ( 8.136 6.761 6.422) 12.375 ======================= Grid point 820 (421/433) ======================= q-point: (-0.25 -0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -37.209 -0.642 -3.958) 37.424 3.427 ( -20.167 21.503 24.735) 38.483 4.240 ( 3.716 -3.364 6.419) 8.145 4.553 ( 17.874 13.140 -10.938) 24.734 5.129 ( -1.726 1.792 10.946) 11.225 5.447 ( -2.758 -9.960 -0.972) 10.380 5.554 ( -1.727 1.394 1.711) 2.803 6.009 ( 1.150 -2.546 -5.362) 6.046 6.649 ( 2.852 2.835 -7.333) 8.363 6.892 ( 4.560 -7.902 -1.010) 9.179 7.798 ( -16.484 2.264 3.527) 17.008 8.990 ( -4.032 -0.291 -0.198) 4.048 9.191 ( 5.523 -1.758 -10.065) 11.615 9.705 ( 14.772 -1.046 10.855) 18.361 11.565 ( -2.185 0.998 2.356) 3.364 11.725 ( 0.435 -1.600 2.199) 2.754 12.123 ( -1.118 -1.419 -13.154) 13.277 12.435 ( -3.618 2.088 13.226) 13.870 13.868 ( -3.612 -2.973 -1.099) 4.805 14.060 ( -0.078 -8.293 2.266) 8.598 21.418 ( -21.383 -16.906 34.124) 43.675 22.188 ( 19.066 -16.871 -29.370) 38.868 24.631 ( 1.304 7.782 -8.192) 11.374 25.071 ( 6.000 13.321 5.283) 15.535 ======================= Grid point 821 (422/433) ======================= q-point: (-0.17 -0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -28.562 -1.084 -1.261) 28.610 3.008 ( -20.253 21.511 26.752) 39.857 4.265 ( 18.868 27.192 -23.159) 40.395 4.396 ( 4.710 -6.939 3.451) 9.069 5.149 ( -0.159 2.184 12.023) 12.221 5.531 ( 8.623 0.363 -1.019) 8.691 5.665 ( -10.526 -12.181 9.082) 18.484 6.024 ( -3.388 -3.899 -8.488) 9.936 6.527 ( -3.721 5.684 -1.590) 6.977 6.992 ( -1.331 -1.305 2.028) 2.755 7.776 ( 0.002 -7.434 0.163) 7.435 8.945 ( -5.729 0.855 -0.460) 5.810 9.196 ( 4.813 0.225 -7.694) 9.079 9.918 ( 11.215 -3.871 6.590) 13.571 11.501 ( -3.584 1.855 0.325) 4.049 11.818 ( 0.226 -4.000 6.426) 7.573 12.070 ( 0.874 0.342 -9.978) 10.022 12.433 ( -2.591 2.463 10.365) 10.964 13.887 ( -3.585 -4.041 -1.387) 5.577 14.224 ( -0.522 -9.168 3.127) 9.700 21.748 ( -20.025 -22.524 32.526) 44.342 22.520 ( 17.247 -20.169 -27.006) 37.863 24.445 ( 4.257 11.291 -10.160) 15.775 24.868 ( 2.396 17.989 5.136) 18.861 ======================= Grid point 822 (423/433) ======================= q-point: (-0.08 -0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -12.930 -1.174 4.120) 13.621 2.658 ( -15.295 15.435 22.376) 31.191 3.804 ( 15.615 28.618 -24.280) 40.649 4.590 ( 4.570 -9.154 0.856) 10.267 5.173 ( 2.316 4.725 11.578) 12.718 5.578 ( 1.987 -1.037 -3.083) 3.812 5.791 ( -4.307 -4.716 9.467) 11.420 5.932 ( -7.920 2.216 -9.926) 12.890 6.491 ( -1.036 -3.754 6.403) 7.494 6.970 ( -0.916 2.128 -1.064) 2.549 7.986 ( 5.855 -11.867 0.709) 13.252 8.829 ( -5.140 6.101 -2.712) 8.426 9.208 ( 1.479 -1.605 -2.419) 3.258 10.088 ( 5.698 -3.665 1.739) 6.994 11.474 ( -3.484 -1.085 4.335) 5.666 11.900 ( 0.818 -1.620 3.162) 3.646 12.018 ( 1.954 1.392 -8.149) 8.494 12.417 ( -2.143 2.289 6.932) 7.608 13.924 ( -2.547 -4.079 -0.384) 4.824 14.380 ( -1.353 -7.741 3.151) 8.467 22.157 ( -17.847 -25.447 29.998) 43.197 22.863 ( 13.175 -18.367 -21.265) 31.034 24.216 ( 7.320 14.505 -12.767) 20.664 24.583 ( -0.850 18.808 4.757) 19.418 ======================= Grid point 831 (424/433) ======================= q-point: (-0.33 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -38.996 -0.000 -0.961) 39.008 3.892 ( -5.275 -0.000 9.224) 10.625 4.305 ( -6.878 -0.000 23.684) 24.663 4.476 ( -1.060 -0.000 8.036) 8.105 5.165 ( -5.261 -0.000 10.030) 11.326 5.184 ( -4.712 -0.000 6.073) 7.686 5.761 ( 3.517 0.000 -18.451) 18.783 6.014 ( 14.835 0.000 -11.561) 18.808 6.598 ( 8.269 0.000 2.398) 8.610 6.759 ( 7.347 0.000 -10.314) 12.663 7.887 ( -24.296 -0.000 8.849) 25.857 9.037 ( 1.808 0.000 -8.080) 8.279 9.072 ( 0.379 0.000 -3.064) 3.087 9.714 ( 13.594 0.000 10.121) 16.948 11.523 ( -4.729 -0.000 15.788) 16.481 11.796 ( 10.336 0.000 -13.395) 16.919 12.039 ( -8.511 -0.000 -14.492) 16.806 12.474 ( -5.571 -0.000 15.210) 16.198 13.840 ( -4.100 -0.000 3.414) 5.335 13.878 ( 0.588 0.000 -2.064) 2.146 21.118 ( -21.833 -0.000 35.469) 41.650 21.874 ( 19.411 0.000 -30.364) 36.038 24.765 ( -0.004 -0.000 -6.169) 6.169 25.311 ( 9.025 0.000 3.317) 9.615 ======================= Grid point 832 (425/433) ======================= q-point: (-0.25 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -31.716 -0.275 4.345) 32.013 3.740 ( -13.187 17.278 20.653) 29.983 4.271 ( -3.001 1.950 12.245) 12.757 4.700 ( 4.066 -10.443 7.468) 13.467 5.176 ( -6.365 0.241 8.093) 10.299 5.202 ( -3.285 -2.802 5.551) 7.032 5.649 ( 5.375 3.783 -15.171) 16.533 6.044 ( 11.720 3.781 -8.577) 15.007 6.705 ( 6.511 2.439 -6.569) 9.566 6.801 ( 5.897 -6.706 -1.326) 9.028 7.720 ( -16.974 1.728 9.250) 19.408 8.968 ( -1.515 2.271 -3.721) 4.615 9.117 ( 3.213 -4.773 -8.947) 10.637 9.864 ( 9.157 0.195 8.540) 12.522 11.583 ( -2.929 -0.514 10.630) 11.038 11.738 ( 0.734 3.763 -5.215) 6.472 11.979 ( -1.074 -5.903 -12.260) 13.650 12.493 ( -5.551 1.005 14.069) 15.157 13.808 ( -3.499 -0.042 0.483) 3.532 13.939 ( -0.419 -6.265 0.872) 6.340 21.191 ( -21.484 -8.944 35.416) 42.377 21.968 ( 19.143 -9.743 -30.388) 37.214 24.707 ( 1.944 3.982 -5.948) 7.417 25.334 ( 7.421 7.819 1.087) 10.835 ======================= Grid point 833 (426/433) ======================= q-point: (-0.17 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -16.243 -0.537 11.986) 20.193 3.372 ( -17.902 23.324 28.878) 41.213 4.338 ( 0.881 -4.486 3.729) 5.899 4.732 ( 18.086 19.226 -17.533) 31.688 5.166 ( -13.066 -7.530 10.507) 18.380 5.319 ( -3.124 -9.279 8.895) 13.228 5.644 ( 4.624 -2.220 -1.453) 5.331 6.031 ( 9.636 4.711 -4.460) 11.617 6.595 ( -1.711 6.791 -5.065) 8.642 6.952 ( 0.183 -3.978 3.318) 5.183 7.687 ( -0.720 -4.432 3.878) 5.933 8.901 ( -4.565 0.864 -1.411) 4.856 9.166 ( 4.360 -2.847 -10.896) 12.076 9.977 ( 5.073 -1.672 4.668) 7.094 11.523 ( -2.995 4.095 0.105) 5.075 11.778 ( -1.653 -4.777 8.876) 10.215 12.007 ( 2.073 -3.057 -9.701) 10.380 12.494 ( -4.871 1.669 11.414) 12.522 13.797 ( -2.855 -2.280 -0.634) 3.708 14.073 ( -0.951 -8.953 1.694) 9.161 21.410 ( -20.592 -16.753 34.643) 43.644 22.207 ( 18.330 -16.964 -29.674) 38.785 24.601 ( 4.307 7.886 -6.632) 11.168 25.194 ( 3.599 14.789 0.628) 15.234 ======================= Grid point 834 (427/433) ======================= q-point: (-0.08 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 2.494 -0.370 19.680) 19.841 2.980 ( -16.800 22.223 30.169) 41.064 4.283 ( 12.890 24.626 -25.754) 37.893 4.505 ( 4.520 -2.861 -0.795) 5.408 5.261 ( -4.866 -5.136 10.767) 12.884 5.468 ( -0.620 -4.276 0.509) 4.351 5.709 ( -4.160 -2.998 2.606) 5.752 6.025 ( 10.957 5.688 2.290) 12.556 6.473 ( -4.220 1.041 3.481) 5.569 6.978 ( -1.899 0.261 1.237) 2.282 7.872 ( 8.279 -9.776 1.047) 12.853 8.828 ( -6.183 1.708 -0.855) 6.472 9.176 ( 2.918 -1.214 -8.476) 9.046 10.057 ( 0.413 -3.133 -1.201) 3.381 11.468 ( -2.277 0.672 4.576) 5.156 11.885 ( -0.109 -3.437 5.436) 6.432 12.008 ( 2.222 -0.153 -6.841) 7.195 12.468 ( -4.784 2.465 7.700) 9.394 13.831 ( -1.450 -4.281 -0.007) 4.519 14.229 ( -1.856 -9.418 1.552) 9.724 21.751 ( -18.985 -22.511 33.110) 44.311 22.530 ( 16.330 -20.121 -27.227) 37.587 24.445 ( 6.913 11.644 -8.359) 15.914 24.920 ( -0.979 19.094 1.712) 19.195 ======================= Grid point 844 (428/433) ======================= q-point: (-0.25 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -17.630 -0.000 14.358) 22.737 3.910 ( -6.357 -0.000 12.937) 14.415 4.422 ( -12.012 -0.000 28.758) 31.166 4.485 ( -7.788 -0.000 9.630) 12.385 5.210 ( 4.320 0.000 -1.923) 4.728 5.228 ( -0.654 -0.000 11.003) 11.023 5.624 ( 3.619 0.000 -15.006) 15.436 6.163 ( 17.419 0.000 -14.858) 22.895 6.741 ( 2.821 0.000 -10.677) 11.043 6.807 ( 8.327 0.000 5.628) 10.051 7.645 ( -13.720 -0.000 11.336) 17.797 8.997 ( 3.350 0.000 -7.250) 7.987 9.010 ( -1.377 -0.000 -6.586) 6.729 9.964 ( 3.446 0.000 6.228) 7.118 11.617 ( -3.471 -0.000 13.779) 14.210 11.761 ( -8.669 -0.000 -5.138) 10.077 11.836 ( 9.133 0.000 -11.899) 15.000 12.522 ( -6.489 -0.000 13.539) 15.014 13.789 ( -4.955 -0.000 2.859) 5.721 13.877 ( 1.288 0.000 -1.473) 1.957 21.114 ( -21.452 -0.000 36.076) 41.973 21.890 ( 18.972 0.000 -30.832) 36.201 24.737 ( 3.150 0.000 -4.252) 5.291 25.464 ( 6.715 0.000 -2.460) 7.151 ======================= Grid point 845 (429/433) ======================= q-point: (-0.17 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.712 -0.313 23.623) 23.636 3.750 ( -12.181 18.539 23.556) 32.357 4.318 ( -4.010 1.423 8.253) 9.286 4.778 ( -10.500 -19.283 16.860) 27.683 5.108 ( 6.925 13.397 -14.125) 20.662 5.320 ( 1.458 -2.671 12.285) 12.656 5.619 ( 4.711 -2.009 -5.034) 7.181 6.208 ( 17.218 3.896 -10.636) 20.610 6.648 ( -1.981 5.140 -8.721) 10.315 6.925 ( 1.118 -2.474 6.744) 7.270 7.644 ( -0.867 -3.252 7.187) 7.936 8.891 ( -2.723 3.566 -4.029) 6.030 9.073 ( 3.932 -5.177 -9.848) 11.800 9.999 ( -1.317 -0.295 2.866) 3.168 11.575 ( -3.717 4.841 0.323) 6.112 11.735 ( -3.161 -3.650 11.304) 12.292 11.911 ( 5.287 -5.008 -9.805) 12.213 12.523 ( -6.831 0.758 11.183) 13.127 13.754 ( -3.081 0.068 1.331) 3.357 13.941 ( 0.259 -6.108 -0.356) 6.124 21.193 ( -21.010 -8.948 36.013) 42.643 21.978 ( 18.598 -9.775 -30.896) 37.363 24.717 ( 4.758 4.130 -3.494) 7.205 25.421 ( 3.540 8.541 -3.883) 10.028 ======================= Grid point 846 (430/433) ======================= q-point: (-0.08 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 14.609 -0.337 29.118) 32.579 3.406 ( -14.311 23.812 31.187) 41.766 4.349 ( -0.318 -3.302 -2.818) 4.353 4.764 ( 5.953 20.464 -19.604) 28.957 5.054 ( -4.617 -12.313 7.954) 15.369 5.488 ( 5.094 -4.938 13.402) 15.164 5.661 ( 0.839 -0.158 -2.730) 2.860 6.255 ( 15.840 4.825 -1.042) 16.592 6.474 ( -7.296 4.269 -1.609) 8.605 6.965 ( -2.987 -0.541 3.929) 4.965 7.815 ( 9.458 -7.741 2.638) 12.504 8.792 ( -5.886 1.764 -1.499) 6.325 9.124 ( 4.407 -2.596 -10.184) 11.396 9.986 ( -5.200 -1.350 -2.311) 5.848 11.502 ( -0.947 2.100 4.250) 4.835 11.845 ( -1.113 -4.452 7.544) 8.830 11.974 ( 3.376 -2.706 -5.970) 7.373 12.490 ( -7.208 1.646 7.303) 10.392 13.763 ( -0.820 -2.639 1.232) 3.026 14.062 ( -1.013 -8.438 -0.311) 8.504 21.423 ( -19.924 -16.922 35.267) 43.899 22.208 ( 17.671 -16.925 -30.207) 38.874 24.643 ( 6.627 8.310 -4.026) 11.366 25.207 ( -1.031 15.448 -2.701) 15.716 ======================= Grid point 857 (431/433) ======================= q-point: (-0.17 -0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 13.917 0.000 29.934) 33.011 3.933 ( -6.265 -0.000 11.971) 13.511 4.426 ( -9.980 -0.000 10.093) 14.194 4.516 ( -10.533 -0.000 27.823) 29.750 5.220 ( 6.319 0.000 -15.527) 16.763 5.368 ( 1.468 0.000 12.441) 12.528 5.641 ( 7.382 0.000 -0.587) 7.405 6.327 ( 19.438 0.000 -16.834) 25.714 6.619 ( -3.362 -0.000 -10.761) 11.274 6.947 ( -3.652 -0.000 9.734) 10.397 7.667 ( 5.180 0.000 7.198) 8.868 8.875 ( -4.603 -0.000 -8.434) 9.608 9.018 ( 6.887 0.000 -5.094) 8.566 9.971 ( -6.442 -0.000 0.770) 6.488 11.587 ( -4.232 -0.000 1.401) 4.458 11.745 ( -2.475 -0.000 13.918) 14.136 11.866 ( 7.380 0.000 -10.284) 12.658 12.515 ( -8.313 -0.000 8.939) 12.207 13.740 ( -3.611 -0.000 3.367) 4.937 13.890 ( 2.312 0.000 -2.448) 3.367 21.123 ( -21.140 -0.000 36.612) 42.277 21.893 ( 18.538 0.000 -31.376) 36.444 24.787 ( 5.535 0.000 -1.187) 5.661 25.490 ( 1.428 0.000 -6.615) 6.767 ======================= Grid point 858 (432/433) ======================= q-point: (-0.08 -0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 19.615 -0.472 31.541) 37.146 3.805 ( -8.809 15.733 20.947) 27.638 4.305 ( -5.121 2.481 4.554) 7.288 4.735 ( -10.448 -9.447 12.834) 19.055 5.106 ( 8.938 7.895 -12.932) 17.591 5.498 ( 2.732 -5.237 11.798) 13.194 5.705 ( 6.590 1.528 0.117) 6.766 6.406 ( 12.694 -0.318 -14.149) 19.011 6.476 ( -2.844 5.407 -4.069) 7.340 6.947 ( -5.984 -0.397 6.170) 8.604 7.820 ( 11.144 -4.587 4.825) 12.981 8.755 ( -6.614 2.024 -5.996) 9.154 9.088 ( 7.955 -1.923 -5.624) 9.930 9.892 ( -9.851 -0.059 -2.500) 10.164 11.558 ( -0.074 1.731 4.337) 4.670 11.818 ( -0.655 -2.200 8.985) 9.274 11.919 ( 4.688 -4.002 -5.586) 8.319 12.469 ( -9.022 0.633 5.059) 10.363 13.738 ( -1.348 -0.894 3.382) 3.748 13.940 ( 1.401 -4.790 -2.654) 5.652 21.210 ( -20.665 -9.193 36.502) 42.941 21.973 ( 18.181 -9.668 -31.460) 37.600 24.801 ( 6.528 4.477 -0.243) 7.920 25.375 ( -2.265 8.605 -6.324) 10.916 ======================= Grid point 870 (433/433) ======================= q-point: (-0.08 -0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 19.207 0.000 29.673) 35.346 3.927 ( -3.881 -0.000 2.663) 4.707 4.357 ( -11.943 -0.000 14.948) 19.133 4.658 ( -2.153 -0.000 17.868) 17.998 5.162 ( 2.721 0.000 -6.803) 7.327 5.529 ( 2.030 0.000 9.920) 10.125 5.796 ( 7.158 0.000 2.030) 7.440 6.332 ( -4.879 -0.000 -18.741) 19.366 6.555 ( 15.049 0.000 -7.895) 16.994 6.902 ( -8.939 -0.000 4.868) 10.179 7.921 ( 12.574 0.000 5.893) 13.887 8.658 ( -8.607 -0.000 -8.932) 12.404 9.151 ( 11.430 0.000 -1.149) 11.488 9.774 ( -12.890 -0.000 -3.113) 13.261 11.598 ( -0.013 -0.000 6.101) 6.101 11.875 ( 4.585 0.000 -8.717) 9.849 11.878 ( 2.549 0.000 11.518) 11.796 12.406 ( -9.354 -0.000 1.241) 9.436 13.739 ( -1.658 -0.000 4.878) 5.152 13.903 ( 3.150 0.000 -4.557) 5.540 21.141 ( -20.895 -0.000 36.915) 42.418 21.882 ( 18.257 0.000 -31.868) 36.727 24.906 ( 6.575 0.000 2.337) 6.978 25.379 ( -4.761 -0.000 -7.428) 8.823 =================== 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 3/38016 10.0 2529.394 2095.543 3688.216 0.000 508.695 0.000 3/38016 20.0 1429.388 1472.516 2088.175 0.000 -72.206 0.000 3/38016 30.0 736.574 679.396 1061.926 0.000 -76.690 0.000 3/38016 40.0 418.609 380.781 606.847 0.000 -60.187 0.000 3/38016 50.0 264.957 243.991 386.895 -0.000 -44.906 0.000 3/38016 60.0 182.473 170.556 268.002 -0.000 -33.951 0.000 3/38016 70.0 133.909 126.640 197.508 -0.000 -26.410 0.000 3/38016 80.0 103.163 98.357 152.613 -0.000 -21.154 0.000 3/38016 90.0 82.553 79.124 122.381 -0.000 -17.398 0.000 3/38016 100.0 68.089 65.479 101.088 -0.000 -14.640 0.000 3/38016 110.0 57.548 55.457 85.530 -0.000 -12.563 0.000 3/38016 120.0 49.620 47.879 73.805 -0.000 -10.962 0.000 3/38016 130.0 43.495 42.006 64.736 -0.000 -9.702 0.000 3/38016 140.0 38.655 37.355 57.562 -0.000 -8.692 0.000 3/38016 150.0 34.753 33.604 51.775 -0.000 -7.871 0.000 3/38016 160.0 31.554 30.529 47.029 -0.000 -7.192 0.000 3/38016 170.0 28.890 27.971 43.078 -0.000 -6.625 0.000 3/38016 180.0 26.643 25.816 39.745 -0.000 -6.145 0.000 3/38016 190.0 24.725 23.980 36.900 -0.000 -5.734 0.000 3/38016 200.0 23.071 22.398 34.447 -0.000 -5.379 0.000 3/38016 210.0 21.630 21.023 32.312 -0.000 -5.071 0.000 3/38016 220.0 20.366 19.818 30.438 -0.000 -4.799 0.000 3/38016 230.0 19.246 18.753 28.779 -0.000 -4.559 0.000 3/38016 240.0 18.249 17.805 27.302 -0.000 -4.345 0.000 3/38016 250.0 17.355 16.956 25.978 -0.000 -4.153 0.000 3/38016 260.0 16.549 16.191 24.784 -0.000 -3.980 0.000 3/38016 270.0 15.818 15.498 23.702 -0.000 -3.822 0.000 3/38016 280.0 15.153 14.867 22.717 -0.000 -3.679 0.000 3/38016 290.0 14.544 14.290 21.815 -0.000 -3.547 0.000 3/38016 300.0 13.985 13.760 20.987 -0.000 -3.425 0.000 3/38016 310.0 13.470 13.271 20.223 -0.000 -3.313 0.000 3/38016 320.0 12.993 12.819 19.516 -0.000 -3.209 0.000 3/38016 330.0 12.551 12.399 18.860 -0.000 -3.112 0.000 3/38016 340.0 12.139 12.007 18.249 -0.000 -3.021 0.000 3/38016 350.0 11.755 11.642 17.679 -0.000 -2.936 0.000 3/38016 360.0 11.396 11.299 17.146 -0.000 -2.856 0.000 3/38016 370.0 11.059 10.978 16.645 -0.000 -2.781 0.000 3/38016 380.0 10.742 10.675 16.174 -0.000 -2.710 0.000 3/38016 390.0 10.444 10.390 15.731 -0.000 -2.642 0.000 3/38016 400.0 10.162 10.120 15.312 -0.000 -2.579 0.000 3/38016 410.0 9.896 9.865 14.916 -0.000 -2.518 0.000 3/38016 420.0 9.644 9.623 14.541 -0.000 -2.460 0.000 3/38016 430.0 9.405 9.394 14.185 -0.000 -2.406 0.000 3/38016 440.0 9.178 9.175 13.847 -0.000 -2.353 0.000 3/38016 450.0 8.963 8.967 13.525 -0.000 -2.303 0.000 3/38016 460.0 8.757 8.769 13.218 -0.000 -2.255 0.000 3/38016 470.0 8.561 8.579 12.926 -0.000 -2.210 0.000 3/38016 480.0 8.374 8.398 12.646 -0.000 -2.166 0.000 3/38016 490.0 8.195 8.224 12.379 -0.000 -2.123 0.000 3/38016 500.0 8.024 8.058 12.123 -0.000 -2.083 0.000 3/38016 510.0 7.860 7.899 11.878 -0.000 -2.044 0.000 3/38016 520.0 7.702 7.745 11.642 -0.000 -2.007 0.000 3/38016 530.0 7.551 7.598 11.417 -0.000 -1.970 0.000 3/38016 540.0 7.406 7.457 11.200 -0.000 -1.936 0.000 3/38016 550.0 7.267 7.321 10.991 -0.000 -1.902 0.000 3/38016 560.0 7.133 7.189 10.790 -0.000 -1.870 0.000 3/38016 570.0 7.004 7.063 10.596 -0.000 -1.838 0.000 3/38016 580.0 6.879 6.941 10.410 -0.000 -1.808 0.000 3/38016 590.0 6.759 6.823 10.230 -0.000 -1.779 0.000 3/38016 600.0 6.643 6.709 10.056 -0.000 -1.750 0.000 3/38016 610.0 6.532 6.599 9.888 -0.000 -1.723 0.000 3/38016 620.0 6.424 6.493 9.726 -0.000 -1.696 0.000 3/38016 630.0 6.319 6.390 9.569 -0.000 -1.670 0.000 3/38016 640.0 6.218 6.290 9.417 -0.000 -1.645 0.000 3/38016 650.0 6.120 6.194 9.270 -0.000 -1.621 0.000 3/38016 660.0 6.025 6.100 9.127 -0.000 -1.598 0.000 3/38016 670.0 5.933 6.009 8.989 -0.000 -1.575 0.000 3/38016 680.0 5.844 5.921 8.855 -0.000 -1.552 0.000 3/38016 690.0 5.758 5.836 8.725 -0.000 -1.531 0.000 3/38016 700.0 5.674 5.752 8.599 -0.000 -1.510 0.000 3/38016 710.0 5.593 5.672 8.477 -0.000 -1.489 0.000 3/38016 720.0 5.514 5.593 8.358 -0.000 -1.469 0.000 3/38016 730.0 5.437 5.517 8.242 -0.000 -1.450 0.000 3/38016 740.0 5.362 5.443 8.130 -0.000 -1.431 0.000 3/38016 750.0 5.290 5.370 8.020 -0.000 -1.413 0.000 3/38016 760.0 5.219 5.300 7.914 -0.000 -1.395 0.000 3/38016 770.0 5.150 5.231 7.810 -0.000 -1.377 0.000 3/38016 780.0 5.083 5.165 7.709 -0.000 -1.360 0.000 3/38016 790.0 5.018 5.100 7.611 -0.000 -1.343 0.000 3/38016 800.0 4.954 5.036 7.515 -0.000 -1.327 0.000 3/38016 810.0 4.892 4.974 7.421 -0.000 -1.311 0.000 3/38016 820.0 4.832 4.914 7.330 -0.000 -1.296 0.000 3/38016 830.0 4.773 4.855 7.241 -0.000 -1.281 0.000 3/38016 840.0 4.715 4.797 7.154 -0.000 -1.266 0.000 3/38016 850.0 4.659 4.741 7.070 -0.000 -1.251 0.000 3/38016 860.0 4.605 4.686 6.987 -0.000 -1.237 0.000 3/38016 870.0 4.551 4.633 6.906 -0.000 -1.224 0.000 3/38016 880.0 4.499 4.580 6.827 -0.000 -1.210 0.000 3/38016 890.0 4.448 4.529 6.750 -0.000 -1.197 0.000 3/38016 900.0 4.398 4.479 6.675 -0.000 -1.184 0.000 3/38016 910.0 4.349 4.430 6.601 -0.000 -1.171 0.000 3/38016 920.0 4.301 4.382 6.529 -0.000 -1.159 0.000 3/38016 930.0 4.255 4.335 6.458 -0.000 -1.147 0.000 3/38016 940.0 4.209 4.289 6.389 -0.000 -1.135 0.000 3/38016 950.0 4.164 4.244 6.322 -0.000 -1.123 0.000 3/38016 960.0 4.120 4.200 6.255 -0.000 -1.112 0.000 3/38016 970.0 4.078 4.157 6.191 -0.000 -1.101 0.000 3/38016 980.0 4.036 4.115 6.127 -0.000 -1.090 0.000 3/38016 990.0 3.995 4.074 6.065 -0.000 -1.079 0.000 3/38016 1000.0 3.954 4.033 6.004 -0.000 -1.068 0.000 3/38016 Thermal conductivity related properties were written into "kappa-m121211.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:00:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|