----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:49:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 192 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.098334430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.865338750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.857974400000000 Atomic positions (fractional): *1 P 0.33763894085623 0.87177152487455 0.50000000000000 30.974 2 P 0.66236105914377 0.12822847512545 0.50000000000000 30.974 3 P 0.16236105914377 0.37177152487455 0.00000000000000 30.974 4 P 0.83763894085623 0.62822847512545 0.00000000000000 30.974 *5 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 6 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.098334430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.865338750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.857974400000000 Atomic positions (fractional): *1 P 0.33763894085623 0.87177152487455 0.50000000000000 30.974 > 1 2 P 0.66236105914377 0.12822847512545 0.50000000000000 30.974 > 2 3 P 0.16236105914377 0.37177152487455 0.00000000000000 30.974 > 3 4 P 0.83763894085623 0.62822847512545 0.00000000000000 30.974 > 4 *5 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 > 5 6 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.295003290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.730677500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.431897599999999 Atomic positions (fractional): *1 P 0.11254631361874 0.43588576243728 0.12500000000000 30.974 > 1 2 P 0.44587964695208 0.43588576243728 0.12500000000000 30.974 > 1 3 P 0.77921298028541 0.43588576243728 0.12500000000000 30.974 > 1 4 P 0.11254631361874 0.93588576243728 0.12500000000000 30.974 > 1 5 P 0.44587964695208 0.93588576243728 0.12500000000000 30.974 > 1 6 P 0.77921298028541 0.93588576243728 0.12500000000000 30.974 > 1 7 P 0.11254631361874 0.43588576243728 0.37500000000000 30.974 > 1 8 P 0.44587964695208 0.43588576243728 0.37500000000000 30.974 > 1 9 P 0.77921298028541 0.43588576243728 0.37500000000000 30.974 > 1 10 P 0.11254631361874 0.93588576243728 0.37500000000000 30.974 > 1 11 P 0.44587964695208 0.93588576243728 0.37500000000000 30.974 > 1 12 P 0.77921298028541 0.93588576243728 0.37500000000000 30.974 > 1 13 P 0.11254631361874 0.43588576243728 0.62500000000000 30.974 > 1 14 P 0.44587964695208 0.43588576243728 0.62500000000000 30.974 > 1 15 P 0.77921298028541 0.43588576243728 0.62500000000000 30.974 > 1 16 P 0.11254631361874 0.93588576243728 0.62500000000000 30.974 > 1 17 P 0.44587964695208 0.93588576243728 0.62500000000000 30.974 > 1 18 P 0.77921298028541 0.93588576243728 0.62500000000000 30.974 > 1 19 P 0.11254631361874 0.43588576243728 0.87500000000000 30.974 > 1 20 P 0.44587964695208 0.43588576243728 0.87500000000000 30.974 > 1 21 P 0.77921298028541 0.43588576243728 0.87500000000000 30.974 > 1 22 P 0.11254631361874 0.93588576243728 0.87500000000000 30.974 > 1 23 P 0.44587964695208 0.93588576243728 0.87500000000000 30.974 > 1 24 P 0.77921298028541 0.93588576243728 0.87500000000000 30.974 > 1 25 P 0.22078701971459 0.06411423756272 0.12500000000000 30.974 > 2 26 P 0.55412035304792 0.06411423756272 0.12500000000000 30.974 > 2 27 P 0.88745368638126 0.06411423756272 0.12500000000000 30.974 > 2 28 P 0.22078701971459 0.56411423756272 0.12500000000000 30.974 > 2 29 P 0.55412035304792 0.56411423756272 0.12500000000000 30.974 > 2 30 P 0.88745368638126 0.56411423756272 0.12500000000000 30.974 > 2 31 P 0.22078701971459 0.06411423756272 0.37500000000000 30.974 > 2 32 P 0.55412035304792 0.06411423756272 0.37500000000000 30.974 > 2 33 P 0.88745368638126 0.06411423756272 0.37500000000000 30.974 > 2 34 P 0.22078701971459 0.56411423756272 0.37500000000000 30.974 > 2 35 P 0.55412035304792 0.56411423756272 0.37500000000000 30.974 > 2 36 P 0.88745368638126 0.56411423756272 0.37500000000000 30.974 > 2 37 P 0.22078701971459 0.06411423756272 0.62500000000000 30.974 > 2 38 P 0.55412035304792 0.06411423756272 0.62500000000000 30.974 > 2 39 P 0.88745368638126 0.06411423756272 0.62500000000000 30.974 > 2 40 P 0.22078701971459 0.56411423756272 0.62500000000000 30.974 > 2 41 P 0.55412035304792 0.56411423756272 0.62500000000000 30.974 > 2 42 P 0.88745368638126 0.56411423756272 0.62500000000000 30.974 > 2 43 P 0.22078701971459 0.06411423756272 0.87500000000000 30.974 > 2 44 P 0.55412035304792 0.06411423756272 0.87500000000000 30.974 > 2 45 P 0.88745368638126 0.06411423756272 0.87500000000000 30.974 > 2 46 P 0.22078701971459 0.56411423756272 0.87500000000000 30.974 > 2 47 P 0.55412035304792 0.56411423756272 0.87500000000000 30.974 > 2 48 P 0.88745368638126 0.56411423756272 0.87500000000000 30.974 > 2 49 P 0.05412035304792 0.18588576243728 0.00000000000000 30.974 > 3 50 P 0.38745368638126 0.18588576243728 0.00000000000000 30.974 > 3 51 P 0.72078701971459 0.18588576243728 0.00000000000000 30.974 > 3 52 P 0.05412035304792 0.68588576243728 0.00000000000000 30.974 > 3 53 P 0.38745368638126 0.68588576243728 0.00000000000000 30.974 > 3 54 P 0.72078701971459 0.68588576243728 0.00000000000000 30.974 > 3 55 P 0.05412035304792 0.18588576243728 0.25000000000000 30.974 > 3 56 P 0.38745368638126 0.18588576243728 0.25000000000000 30.974 > 3 57 P 0.72078701971459 0.18588576243728 0.25000000000000 30.974 > 3 58 P 0.05412035304792 0.68588576243728 0.25000000000000 30.974 > 3 59 P 0.38745368638126 0.68588576243728 0.25000000000000 30.974 > 3 60 P 0.72078701971459 0.68588576243728 0.25000000000000 30.974 > 3 61 P 0.05412035304792 0.18588576243728 0.50000000000000 30.974 > 3 62 P 0.38745368638126 0.18588576243728 0.50000000000000 30.974 > 3 63 P 0.72078701971459 0.18588576243728 0.50000000000000 30.974 > 3 64 P 0.05412035304792 0.68588576243728 0.50000000000000 30.974 > 3 65 P 0.38745368638126 0.68588576243728 0.50000000000000 30.974 > 3 66 P 0.72078701971459 0.68588576243728 0.50000000000000 30.974 > 3 67 P 0.05412035304792 0.18588576243728 0.75000000000000 30.974 > 3 68 P 0.38745368638126 0.18588576243728 0.75000000000000 30.974 > 3 69 P 0.72078701971459 0.18588576243728 0.75000000000000 30.974 > 3 70 P 0.05412035304792 0.68588576243728 0.75000000000000 30.974 > 3 71 P 0.38745368638126 0.68588576243728 0.75000000000000 30.974 > 3 72 P 0.72078701971459 0.68588576243728 0.75000000000000 30.974 > 3 73 P 0.27921298028541 0.31411423756272 0.00000000000000 30.974 > 4 74 P 0.61254631361874 0.31411423756272 0.00000000000000 30.974 > 4 75 P 0.94587964695208 0.31411423756272 0.00000000000000 30.974 > 4 76 P 0.27921298028541 0.81411423756272 0.00000000000000 30.974 > 4 77 P 0.61254631361874 0.81411423756272 0.00000000000000 30.974 > 4 78 P 0.94587964695208 0.81411423756272 0.00000000000000 30.974 > 4 79 P 0.27921298028541 0.31411423756272 0.25000000000000 30.974 > 4 80 P 0.61254631361874 0.31411423756272 0.25000000000000 30.974 > 4 81 P 0.94587964695208 0.31411423756272 0.25000000000000 30.974 > 4 82 P 0.27921298028541 0.81411423756272 0.25000000000000 30.974 > 4 83 P 0.61254631361874 0.81411423756272 0.25000000000000 30.974 > 4 84 P 0.94587964695208 0.81411423756272 0.25000000000000 30.974 > 4 85 P 0.27921298028541 0.31411423756272 0.50000000000000 30.974 > 4 86 P 0.61254631361874 0.31411423756272 0.50000000000000 30.974 > 4 87 P 0.94587964695208 0.31411423756272 0.50000000000000 30.974 > 4 88 P 0.27921298028541 0.81411423756272 0.50000000000000 30.974 > 4 89 P 0.61254631361874 0.81411423756272 0.50000000000000 30.974 > 4 90 P 0.94587964695208 0.81411423756272 0.50000000000000 30.974 > 4 91 P 0.27921298028541 0.31411423756272 0.75000000000000 30.974 > 4 92 P 0.61254631361874 0.31411423756272 0.75000000000000 30.974 > 4 93 P 0.94587964695208 0.31411423756272 0.75000000000000 30.974 > 4 94 P 0.27921298028541 0.81411423756272 0.75000000000000 30.974 > 4 95 P 0.61254631361874 0.81411423756272 0.75000000000000 30.974 > 4 96 P 0.94587964695208 0.81411423756272 0.75000000000000 30.974 > 4 *97 Ru 0.16666666666667 0.25000000000000 0.12500000000000 101.070 > 5 98 Ru 0.50000000000000 0.25000000000000 0.12500000000000 101.070 > 5 99 Ru 0.83333333333333 0.25000000000000 0.12500000000000 101.070 > 5 100 Ru 0.16666666666667 0.75000000000000 0.12500000000000 101.070 > 5 101 Ru 0.50000000000000 0.75000000000000 0.12500000000000 101.070 > 5 102 Ru 0.83333333333333 0.75000000000000 0.12500000000000 101.070 > 5 103 Ru 0.16666666666667 0.25000000000000 0.37500000000000 101.070 > 5 104 Ru 0.50000000000000 0.25000000000000 0.37500000000000 101.070 > 5 105 Ru 0.83333333333333 0.25000000000000 0.37500000000000 101.070 > 5 106 Ru 0.16666666666667 0.75000000000000 0.37500000000000 101.070 > 5 107 Ru 0.50000000000000 0.75000000000000 0.37500000000000 101.070 > 5 108 Ru 0.83333333333333 0.75000000000000 0.37500000000000 101.070 > 5 109 Ru 0.16666666666667 0.25000000000000 0.62500000000000 101.070 > 5 110 Ru 0.50000000000000 0.25000000000000 0.62500000000000 101.070 > 5 111 Ru 0.83333333333333 0.25000000000000 0.62500000000000 101.070 > 5 112 Ru 0.16666666666667 0.75000000000000 0.62500000000000 101.070 > 5 113 Ru 0.50000000000000 0.75000000000000 0.62500000000000 101.070 > 5 114 Ru 0.83333333333333 0.75000000000000 0.62500000000000 101.070 > 5 115 Ru 0.16666666666667 0.25000000000000 0.87500000000000 101.070 > 5 116 Ru 0.50000000000000 0.25000000000000 0.87500000000000 101.070 > 5 117 Ru 0.83333333333333 0.25000000000000 0.87500000000000 101.070 > 5 118 Ru 0.16666666666667 0.75000000000000 0.87500000000000 101.070 > 5 119 Ru 0.50000000000000 0.75000000000000 0.87500000000000 101.070 > 5 120 Ru 0.83333333333333 0.75000000000000 0.87500000000000 101.070 > 5 121 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 6 122 Ru 0.33333333333333 0.00000000000000 0.00000000000000 101.070 > 6 123 Ru 0.66666666666667 0.00000000000000 0.00000000000000 101.070 > 6 124 Ru 0.00000000000000 0.50000000000000 0.00000000000000 101.070 > 6 125 Ru 0.33333333333333 0.50000000000000 0.00000000000000 101.070 > 6 126 Ru 0.66666666666667 0.50000000000000 0.00000000000000 101.070 > 6 127 Ru 0.00000000000000 0.00000000000000 0.25000000000000 101.070 > 6 128 Ru 0.33333333333333 0.00000000000000 0.25000000000000 101.070 > 6 129 Ru 0.66666666666667 0.00000000000000 0.25000000000000 101.070 > 6 130 Ru 0.00000000000000 0.50000000000000 0.25000000000000 101.070 > 6 131 Ru 0.33333333333333 0.50000000000000 0.25000000000000 101.070 > 6 132 Ru 0.66666666666667 0.50000000000000 0.25000000000000 101.070 > 6 133 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 6 134 Ru 0.33333333333333 0.00000000000000 0.50000000000000 101.070 > 6 135 Ru 0.66666666666667 0.00000000000000 0.50000000000000 101.070 > 6 136 Ru 0.00000000000000 0.50000000000000 0.50000000000000 101.070 > 6 137 Ru 0.33333333333333 0.50000000000000 0.50000000000000 101.070 > 6 138 Ru 0.66666666666667 0.50000000000000 0.50000000000000 101.070 > 6 139 Ru 0.00000000000000 0.00000000000000 0.75000000000000 101.070 > 6 140 Ru 0.33333333333333 0.00000000000000 0.75000000000000 101.070 > 6 141 Ru 0.66666666666667 0.00000000000000 0.75000000000000 101.070 > 6 142 Ru 0.00000000000000 0.50000000000000 0.75000000000000 101.070 > 6 143 Ru 0.33333333333333 0.50000000000000 0.75000000000000 101.070 > 6 144 Ru 0.66666666666667 0.50000000000000 0.75000000000000 101.070 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 21.2209540 0.0000000 0.0000000 0.0000000 22.3880917 0.0000000 0.0000000 0.0000000 16.6225290 -------------------------- Born effective charges -------------------------- 1 P 3.1334546 -0.3249395 0.0000000 -0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 2 P 3.1334546 -0.3249395 0.0000000 -0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 3 P 3.1334546 0.3249395 0.0000000 0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 4 P 3.1334546 0.3249395 0.0000000 0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 5 Ru -6.2669093 -0.0696332 0.0000000 -1.2466394 -5.4483246 0.0000000 0.0000000 0.0000000 -6.7756575 6 Ru -6.2669093 0.0696332 0.0000000 1.2466394 -5.4483246 0.0000000 0.0000000 0.0000000 -6.7756575 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 4500/4500 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 568 Number of blocks in projector: 568 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: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (568, 558), data: False |-- (80, 80), data: True |-- (80, 80), data: True |-- (90, 88), data: True |-- (90, 88), data: True |-- (90, 88), data: True |-- (138, 134), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.019 Solver_block: 100 / 160 - Time: 0.587 Solver_block: 160 / 160 - Time: 0.391 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.006 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 4500/4500 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 568 Number of blocks in projector: 568 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: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (568, 558), data: False |-- (80, 80), data: True |-- (80, 80), data: True |-- (90, 88), data: True |-- (90, 88), data: True |-- (90, 88), data: True |-- (138, 134), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:49:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:49:44]------------------------- 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): [3 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.098334430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.865338750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.857974400000000 Atomic positions (fractional): 1 P 0.33763894085623 0.87177152487455 0.50000000000000 30.974 2 P 0.66236105914377 0.12822847512545 0.50000000000000 30.974 3 P 0.16236105914377 0.37177152487455 0.00000000000000 30.974 4 P 0.83763894085623 0.62822847512545 0.00000000000000 30.974 5 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 6 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.295003290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.730677500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.431897599999999 Atomic positions (fractional): 1 P 0.11254631361874 0.43588576243728 0.12500000000000 30.974 > 1 2 P 0.44587964695208 0.43588576243728 0.12500000000000 30.974 > 1 3 P 0.77921298028541 0.43588576243728 0.12500000000000 30.974 > 1 4 P 0.11254631361874 0.93588576243728 0.12500000000000 30.974 > 1 5 P 0.44587964695208 0.93588576243728 0.12500000000000 30.974 > 1 6 P 0.77921298028541 0.93588576243728 0.12500000000000 30.974 > 1 7 P 0.11254631361874 0.43588576243728 0.37500000000000 30.974 > 1 8 P 0.44587964695208 0.43588576243728 0.37500000000000 30.974 > 1 9 P 0.77921298028541 0.43588576243728 0.37500000000000 30.974 > 1 10 P 0.11254631361874 0.93588576243728 0.37500000000000 30.974 > 1 11 P 0.44587964695208 0.93588576243728 0.37500000000000 30.974 > 1 12 P 0.77921298028541 0.93588576243728 0.37500000000000 30.974 > 1 13 P 0.11254631361874 0.43588576243728 0.62500000000000 30.974 > 1 14 P 0.44587964695208 0.43588576243728 0.62500000000000 30.974 > 1 15 P 0.77921298028541 0.43588576243728 0.62500000000000 30.974 > 1 16 P 0.11254631361874 0.93588576243728 0.62500000000000 30.974 > 1 17 P 0.44587964695208 0.93588576243728 0.62500000000000 30.974 > 1 18 P 0.77921298028541 0.93588576243728 0.62500000000000 30.974 > 1 19 P 0.11254631361874 0.43588576243728 0.87500000000000 30.974 > 1 20 P 0.44587964695208 0.43588576243728 0.87500000000000 30.974 > 1 21 P 0.77921298028541 0.43588576243728 0.87500000000000 30.974 > 1 22 P 0.11254631361874 0.93588576243728 0.87500000000000 30.974 > 1 23 P 0.44587964695208 0.93588576243728 0.87500000000000 30.974 > 1 24 P 0.77921298028541 0.93588576243728 0.87500000000000 30.974 > 1 25 P 0.22078701971459 0.06411423756272 0.12500000000000 30.974 > 25 26 P 0.55412035304792 0.06411423756272 0.12500000000000 30.974 > 25 27 P 0.88745368638126 0.06411423756272 0.12500000000000 30.974 > 25 28 P 0.22078701971459 0.56411423756272 0.12500000000000 30.974 > 25 29 P 0.55412035304792 0.56411423756272 0.12500000000000 30.974 > 25 30 P 0.88745368638126 0.56411423756272 0.12500000000000 30.974 > 25 31 P 0.22078701971459 0.06411423756272 0.37500000000000 30.974 > 25 32 P 0.55412035304792 0.06411423756272 0.37500000000000 30.974 > 25 33 P 0.88745368638126 0.06411423756272 0.37500000000000 30.974 > 25 34 P 0.22078701971459 0.56411423756272 0.37500000000000 30.974 > 25 35 P 0.55412035304792 0.56411423756272 0.37500000000000 30.974 > 25 36 P 0.88745368638126 0.56411423756272 0.37500000000000 30.974 > 25 37 P 0.22078701971459 0.06411423756272 0.62500000000000 30.974 > 25 38 P 0.55412035304792 0.06411423756272 0.62500000000000 30.974 > 25 39 P 0.88745368638126 0.06411423756272 0.62500000000000 30.974 > 25 40 P 0.22078701971459 0.56411423756272 0.62500000000000 30.974 > 25 41 P 0.55412035304792 0.56411423756272 0.62500000000000 30.974 > 25 42 P 0.88745368638126 0.56411423756272 0.62500000000000 30.974 > 25 43 P 0.22078701971459 0.06411423756272 0.87500000000000 30.974 > 25 44 P 0.55412035304792 0.06411423756272 0.87500000000000 30.974 > 25 45 P 0.88745368638126 0.06411423756272 0.87500000000000 30.974 > 25 46 P 0.22078701971459 0.56411423756272 0.87500000000000 30.974 > 25 47 P 0.55412035304792 0.56411423756272 0.87500000000000 30.974 > 25 48 P 0.88745368638126 0.56411423756272 0.87500000000000 30.974 > 25 49 P 0.05412035304792 0.18588576243728 0.00000000000000 30.974 > 49 50 P 0.38745368638126 0.18588576243728 0.00000000000000 30.974 > 49 51 P 0.72078701971459 0.18588576243728 0.00000000000000 30.974 > 49 52 P 0.05412035304792 0.68588576243728 0.00000000000000 30.974 > 49 53 P 0.38745368638126 0.68588576243728 0.00000000000000 30.974 > 49 54 P 0.72078701971459 0.68588576243728 0.00000000000000 30.974 > 49 55 P 0.05412035304792 0.18588576243728 0.25000000000000 30.974 > 49 56 P 0.38745368638126 0.18588576243728 0.25000000000000 30.974 > 49 57 P 0.72078701971459 0.18588576243728 0.25000000000000 30.974 > 49 58 P 0.05412035304792 0.68588576243728 0.25000000000000 30.974 > 49 59 P 0.38745368638126 0.68588576243728 0.25000000000000 30.974 > 49 60 P 0.72078701971459 0.68588576243728 0.25000000000000 30.974 > 49 61 P 0.05412035304792 0.18588576243728 0.50000000000000 30.974 > 49 62 P 0.38745368638126 0.18588576243728 0.50000000000000 30.974 > 49 63 P 0.72078701971459 0.18588576243728 0.50000000000000 30.974 > 49 64 P 0.05412035304792 0.68588576243728 0.50000000000000 30.974 > 49 65 P 0.38745368638126 0.68588576243728 0.50000000000000 30.974 > 49 66 P 0.72078701971459 0.68588576243728 0.50000000000000 30.974 > 49 67 P 0.05412035304792 0.18588576243728 0.75000000000000 30.974 > 49 68 P 0.38745368638126 0.18588576243728 0.75000000000000 30.974 > 49 69 P 0.72078701971459 0.18588576243728 0.75000000000000 30.974 > 49 70 P 0.05412035304792 0.68588576243728 0.75000000000000 30.974 > 49 71 P 0.38745368638126 0.68588576243728 0.75000000000000 30.974 > 49 72 P 0.72078701971459 0.68588576243728 0.75000000000000 30.974 > 49 73 P 0.27921298028541 0.31411423756272 0.00000000000000 30.974 > 73 74 P 0.61254631361874 0.31411423756272 0.00000000000000 30.974 > 73 75 P 0.94587964695208 0.31411423756272 0.00000000000000 30.974 > 73 76 P 0.27921298028541 0.81411423756272 0.00000000000000 30.974 > 73 77 P 0.61254631361874 0.81411423756272 0.00000000000000 30.974 > 73 78 P 0.94587964695208 0.81411423756272 0.00000000000000 30.974 > 73 79 P 0.27921298028541 0.31411423756272 0.25000000000000 30.974 > 73 80 P 0.61254631361874 0.31411423756272 0.25000000000000 30.974 > 73 81 P 0.94587964695208 0.31411423756272 0.25000000000000 30.974 > 73 82 P 0.27921298028541 0.81411423756272 0.25000000000000 30.974 > 73 83 P 0.61254631361874 0.81411423756272 0.25000000000000 30.974 > 73 84 P 0.94587964695208 0.81411423756272 0.25000000000000 30.974 > 73 85 P 0.27921298028541 0.31411423756272 0.50000000000000 30.974 > 73 86 P 0.61254631361874 0.31411423756272 0.50000000000000 30.974 > 73 87 P 0.94587964695208 0.31411423756272 0.50000000000000 30.974 > 73 88 P 0.27921298028541 0.81411423756272 0.50000000000000 30.974 > 73 89 P 0.61254631361874 0.81411423756272 0.50000000000000 30.974 > 73 90 P 0.94587964695208 0.81411423756272 0.50000000000000 30.974 > 73 91 P 0.27921298028541 0.31411423756272 0.75000000000000 30.974 > 73 92 P 0.61254631361874 0.31411423756272 0.75000000000000 30.974 > 73 93 P 0.94587964695208 0.31411423756272 0.75000000000000 30.974 > 73 94 P 0.27921298028541 0.81411423756272 0.75000000000000 30.974 > 73 95 P 0.61254631361874 0.81411423756272 0.75000000000000 30.974 > 73 96 P 0.94587964695208 0.81411423756272 0.75000000000000 30.974 > 73 97 Ru 0.16666666666667 0.25000000000000 0.12500000000000 101.070 > 97 98 Ru 0.50000000000000 0.25000000000000 0.12500000000000 101.070 > 97 99 Ru 0.83333333333333 0.25000000000000 0.12500000000000 101.070 > 97 100 Ru 0.16666666666667 0.75000000000000 0.12500000000000 101.070 > 97 101 Ru 0.50000000000000 0.75000000000000 0.12500000000000 101.070 > 97 102 Ru 0.83333333333333 0.75000000000000 0.12500000000000 101.070 > 97 103 Ru 0.16666666666667 0.25000000000000 0.37500000000000 101.070 > 97 104 Ru 0.50000000000000 0.25000000000000 0.37500000000000 101.070 > 97 105 Ru 0.83333333333333 0.25000000000000 0.37500000000000 101.070 > 97 106 Ru 0.16666666666667 0.75000000000000 0.37500000000000 101.070 > 97 107 Ru 0.50000000000000 0.75000000000000 0.37500000000000 101.070 > 97 108 Ru 0.83333333333333 0.75000000000000 0.37500000000000 101.070 > 97 109 Ru 0.16666666666667 0.25000000000000 0.62500000000000 101.070 > 97 110 Ru 0.50000000000000 0.25000000000000 0.62500000000000 101.070 > 97 111 Ru 0.83333333333333 0.25000000000000 0.62500000000000 101.070 > 97 112 Ru 0.16666666666667 0.75000000000000 0.62500000000000 101.070 > 97 113 Ru 0.50000000000000 0.75000000000000 0.62500000000000 101.070 > 97 114 Ru 0.83333333333333 0.75000000000000 0.62500000000000 101.070 > 97 115 Ru 0.16666666666667 0.25000000000000 0.87500000000000 101.070 > 97 116 Ru 0.50000000000000 0.25000000000000 0.87500000000000 101.070 > 97 117 Ru 0.83333333333333 0.25000000000000 0.87500000000000 101.070 > 97 118 Ru 0.16666666666667 0.75000000000000 0.87500000000000 101.070 > 97 119 Ru 0.50000000000000 0.75000000000000 0.87500000000000 101.070 > 97 120 Ru 0.83333333333333 0.75000000000000 0.87500000000000 101.070 > 97 121 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 121 122 Ru 0.33333333333333 0.00000000000000 0.00000000000000 101.070 > 121 123 Ru 0.66666666666667 0.00000000000000 0.00000000000000 101.070 > 121 124 Ru 0.00000000000000 0.50000000000000 0.00000000000000 101.070 > 121 125 Ru 0.33333333333333 0.50000000000000 0.00000000000000 101.070 > 121 126 Ru 0.66666666666667 0.50000000000000 0.00000000000000 101.070 > 121 127 Ru 0.00000000000000 0.00000000000000 0.25000000000000 101.070 > 121 128 Ru 0.33333333333333 0.00000000000000 0.25000000000000 101.070 > 121 129 Ru 0.66666666666667 0.00000000000000 0.25000000000000 101.070 > 121 130 Ru 0.00000000000000 0.50000000000000 0.25000000000000 101.070 > 121 131 Ru 0.33333333333333 0.50000000000000 0.25000000000000 101.070 > 121 132 Ru 0.66666666666667 0.50000000000000 0.25000000000000 101.070 > 121 133 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 121 134 Ru 0.33333333333333 0.00000000000000 0.50000000000000 101.070 > 121 135 Ru 0.66666666666667 0.00000000000000 0.50000000000000 101.070 > 121 136 Ru 0.00000000000000 0.50000000000000 0.50000000000000 101.070 > 121 137 Ru 0.33333333333333 0.50000000000000 0.50000000000000 101.070 > 121 138 Ru 0.66666666666667 0.50000000000000 0.50000000000000 101.070 > 121 139 Ru 0.00000000000000 0.00000000000000 0.75000000000000 101.070 > 121 140 Ru 0.33333333333333 0.00000000000000 0.75000000000000 101.070 > 121 141 Ru 0.66666666666667 0.00000000000000 0.75000000000000 101.070 > 121 142 Ru 0.00000000000000 0.50000000000000 0.75000000000000 101.070 > 121 143 Ru 0.33333333333333 0.50000000000000 0.75000000000000 101.070 > 121 144 Ru 0.66666666666667 0.50000000000000 0.75000000000000 101.070 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 21.2209540 0.0000000 0.0000000 0.0000000 22.3880917 0.0000000 0.0000000 0.0000000 16.6225290 -------------------------- Born effective charges -------------------------- 1 P 3.1334546 -0.3249395 0.0000000 -0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 2 P 3.1334546 -0.3249395 0.0000000 -0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 3 P 3.1334546 0.3249395 0.0000000 0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 4 P 3.1334546 0.3249395 0.0000000 0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 5 Ru -6.2669093 -0.0696332 0.0000000 -1.2466394 -5.4483246 0.0000000 0.0000000 0.0000000 -6.7756575 6 Ru -6.2669093 0.0696332 0.0000000 1.2466394 -5.4483246 0.0000000 0.0000000 0.0000000 -6.7756575 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:49:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:49:53]------------------------- 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): [3 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.098334430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.865338750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.857974400000000 Atomic positions (fractional): 1 P 0.33763894085623 0.87177152487455 0.50000000000000 30.974 2 P 0.66236105914377 0.12822847512545 0.50000000000000 30.974 3 P 0.16236105914377 0.37177152487455 0.00000000000000 30.974 4 P 0.83763894085623 0.62822847512545 0.00000000000000 30.974 5 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 6 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.295003290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.730677500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.431897599999999 Atomic positions (fractional): 1 P 0.11254631361874 0.43588576243728 0.12500000000000 30.974 > 1 2 P 0.44587964695208 0.43588576243728 0.12500000000000 30.974 > 1 3 P 0.77921298028541 0.43588576243728 0.12500000000000 30.974 > 1 4 P 0.11254631361874 0.93588576243728 0.12500000000000 30.974 > 1 5 P 0.44587964695208 0.93588576243728 0.12500000000000 30.974 > 1 6 P 0.77921298028541 0.93588576243728 0.12500000000000 30.974 > 1 7 P 0.11254631361874 0.43588576243728 0.37500000000000 30.974 > 1 8 P 0.44587964695208 0.43588576243728 0.37500000000000 30.974 > 1 9 P 0.77921298028541 0.43588576243728 0.37500000000000 30.974 > 1 10 P 0.11254631361874 0.93588576243728 0.37500000000000 30.974 > 1 11 P 0.44587964695208 0.93588576243728 0.37500000000000 30.974 > 1 12 P 0.77921298028541 0.93588576243728 0.37500000000000 30.974 > 1 13 P 0.11254631361874 0.43588576243728 0.62500000000000 30.974 > 1 14 P 0.44587964695208 0.43588576243728 0.62500000000000 30.974 > 1 15 P 0.77921298028541 0.43588576243728 0.62500000000000 30.974 > 1 16 P 0.11254631361874 0.93588576243728 0.62500000000000 30.974 > 1 17 P 0.44587964695208 0.93588576243728 0.62500000000000 30.974 > 1 18 P 0.77921298028541 0.93588576243728 0.62500000000000 30.974 > 1 19 P 0.11254631361874 0.43588576243728 0.87500000000000 30.974 > 1 20 P 0.44587964695208 0.43588576243728 0.87500000000000 30.974 > 1 21 P 0.77921298028541 0.43588576243728 0.87500000000000 30.974 > 1 22 P 0.11254631361874 0.93588576243728 0.87500000000000 30.974 > 1 23 P 0.44587964695208 0.93588576243728 0.87500000000000 30.974 > 1 24 P 0.77921298028541 0.93588576243728 0.87500000000000 30.974 > 1 25 P 0.22078701971459 0.06411423756272 0.12500000000000 30.974 > 25 26 P 0.55412035304792 0.06411423756272 0.12500000000000 30.974 > 25 27 P 0.88745368638126 0.06411423756272 0.12500000000000 30.974 > 25 28 P 0.22078701971459 0.56411423756272 0.12500000000000 30.974 > 25 29 P 0.55412035304792 0.56411423756272 0.12500000000000 30.974 > 25 30 P 0.88745368638126 0.56411423756272 0.12500000000000 30.974 > 25 31 P 0.22078701971459 0.06411423756272 0.37500000000000 30.974 > 25 32 P 0.55412035304792 0.06411423756272 0.37500000000000 30.974 > 25 33 P 0.88745368638126 0.06411423756272 0.37500000000000 30.974 > 25 34 P 0.22078701971459 0.56411423756272 0.37500000000000 30.974 > 25 35 P 0.55412035304792 0.56411423756272 0.37500000000000 30.974 > 25 36 P 0.88745368638126 0.56411423756272 0.37500000000000 30.974 > 25 37 P 0.22078701971459 0.06411423756272 0.62500000000000 30.974 > 25 38 P 0.55412035304792 0.06411423756272 0.62500000000000 30.974 > 25 39 P 0.88745368638126 0.06411423756272 0.62500000000000 30.974 > 25 40 P 0.22078701971459 0.56411423756272 0.62500000000000 30.974 > 25 41 P 0.55412035304792 0.56411423756272 0.62500000000000 30.974 > 25 42 P 0.88745368638126 0.56411423756272 0.62500000000000 30.974 > 25 43 P 0.22078701971459 0.06411423756272 0.87500000000000 30.974 > 25 44 P 0.55412035304792 0.06411423756272 0.87500000000000 30.974 > 25 45 P 0.88745368638126 0.06411423756272 0.87500000000000 30.974 > 25 46 P 0.22078701971459 0.56411423756272 0.87500000000000 30.974 > 25 47 P 0.55412035304792 0.56411423756272 0.87500000000000 30.974 > 25 48 P 0.88745368638126 0.56411423756272 0.87500000000000 30.974 > 25 49 P 0.05412035304792 0.18588576243728 0.00000000000000 30.974 > 49 50 P 0.38745368638126 0.18588576243728 0.00000000000000 30.974 > 49 51 P 0.72078701971459 0.18588576243728 0.00000000000000 30.974 > 49 52 P 0.05412035304792 0.68588576243728 0.00000000000000 30.974 > 49 53 P 0.38745368638126 0.68588576243728 0.00000000000000 30.974 > 49 54 P 0.72078701971459 0.68588576243728 0.00000000000000 30.974 > 49 55 P 0.05412035304792 0.18588576243728 0.25000000000000 30.974 > 49 56 P 0.38745368638126 0.18588576243728 0.25000000000000 30.974 > 49 57 P 0.72078701971459 0.18588576243728 0.25000000000000 30.974 > 49 58 P 0.05412035304792 0.68588576243728 0.25000000000000 30.974 > 49 59 P 0.38745368638126 0.68588576243728 0.25000000000000 30.974 > 49 60 P 0.72078701971459 0.68588576243728 0.25000000000000 30.974 > 49 61 P 0.05412035304792 0.18588576243728 0.50000000000000 30.974 > 49 62 P 0.38745368638126 0.18588576243728 0.50000000000000 30.974 > 49 63 P 0.72078701971459 0.18588576243728 0.50000000000000 30.974 > 49 64 P 0.05412035304792 0.68588576243728 0.50000000000000 30.974 > 49 65 P 0.38745368638126 0.68588576243728 0.50000000000000 30.974 > 49 66 P 0.72078701971459 0.68588576243728 0.50000000000000 30.974 > 49 67 P 0.05412035304792 0.18588576243728 0.75000000000000 30.974 > 49 68 P 0.38745368638126 0.18588576243728 0.75000000000000 30.974 > 49 69 P 0.72078701971459 0.18588576243728 0.75000000000000 30.974 > 49 70 P 0.05412035304792 0.68588576243728 0.75000000000000 30.974 > 49 71 P 0.38745368638126 0.68588576243728 0.75000000000000 30.974 > 49 72 P 0.72078701971459 0.68588576243728 0.75000000000000 30.974 > 49 73 P 0.27921298028541 0.31411423756272 0.00000000000000 30.974 > 73 74 P 0.61254631361874 0.31411423756272 0.00000000000000 30.974 > 73 75 P 0.94587964695208 0.31411423756272 0.00000000000000 30.974 > 73 76 P 0.27921298028541 0.81411423756272 0.00000000000000 30.974 > 73 77 P 0.61254631361874 0.81411423756272 0.00000000000000 30.974 > 73 78 P 0.94587964695208 0.81411423756272 0.00000000000000 30.974 > 73 79 P 0.27921298028541 0.31411423756272 0.25000000000000 30.974 > 73 80 P 0.61254631361874 0.31411423756272 0.25000000000000 30.974 > 73 81 P 0.94587964695208 0.31411423756272 0.25000000000000 30.974 > 73 82 P 0.27921298028541 0.81411423756272 0.25000000000000 30.974 > 73 83 P 0.61254631361874 0.81411423756272 0.25000000000000 30.974 > 73 84 P 0.94587964695208 0.81411423756272 0.25000000000000 30.974 > 73 85 P 0.27921298028541 0.31411423756272 0.50000000000000 30.974 > 73 86 P 0.61254631361874 0.31411423756272 0.50000000000000 30.974 > 73 87 P 0.94587964695208 0.31411423756272 0.50000000000000 30.974 > 73 88 P 0.27921298028541 0.81411423756272 0.50000000000000 30.974 > 73 89 P 0.61254631361874 0.81411423756272 0.50000000000000 30.974 > 73 90 P 0.94587964695208 0.81411423756272 0.50000000000000 30.974 > 73 91 P 0.27921298028541 0.31411423756272 0.75000000000000 30.974 > 73 92 P 0.61254631361874 0.31411423756272 0.75000000000000 30.974 > 73 93 P 0.94587964695208 0.31411423756272 0.75000000000000 30.974 > 73 94 P 0.27921298028541 0.81411423756272 0.75000000000000 30.974 > 73 95 P 0.61254631361874 0.81411423756272 0.75000000000000 30.974 > 73 96 P 0.94587964695208 0.81411423756272 0.75000000000000 30.974 > 73 97 Ru 0.16666666666667 0.25000000000000 0.12500000000000 101.070 > 97 98 Ru 0.50000000000000 0.25000000000000 0.12500000000000 101.070 > 97 99 Ru 0.83333333333333 0.25000000000000 0.12500000000000 101.070 > 97 100 Ru 0.16666666666667 0.75000000000000 0.12500000000000 101.070 > 97 101 Ru 0.50000000000000 0.75000000000000 0.12500000000000 101.070 > 97 102 Ru 0.83333333333333 0.75000000000000 0.12500000000000 101.070 > 97 103 Ru 0.16666666666667 0.25000000000000 0.37500000000000 101.070 > 97 104 Ru 0.50000000000000 0.25000000000000 0.37500000000000 101.070 > 97 105 Ru 0.83333333333333 0.25000000000000 0.37500000000000 101.070 > 97 106 Ru 0.16666666666667 0.75000000000000 0.37500000000000 101.070 > 97 107 Ru 0.50000000000000 0.75000000000000 0.37500000000000 101.070 > 97 108 Ru 0.83333333333333 0.75000000000000 0.37500000000000 101.070 > 97 109 Ru 0.16666666666667 0.25000000000000 0.62500000000000 101.070 > 97 110 Ru 0.50000000000000 0.25000000000000 0.62500000000000 101.070 > 97 111 Ru 0.83333333333333 0.25000000000000 0.62500000000000 101.070 > 97 112 Ru 0.16666666666667 0.75000000000000 0.62500000000000 101.070 > 97 113 Ru 0.50000000000000 0.75000000000000 0.62500000000000 101.070 > 97 114 Ru 0.83333333333333 0.75000000000000 0.62500000000000 101.070 > 97 115 Ru 0.16666666666667 0.25000000000000 0.87500000000000 101.070 > 97 116 Ru 0.50000000000000 0.25000000000000 0.87500000000000 101.070 > 97 117 Ru 0.83333333333333 0.25000000000000 0.87500000000000 101.070 > 97 118 Ru 0.16666666666667 0.75000000000000 0.87500000000000 101.070 > 97 119 Ru 0.50000000000000 0.75000000000000 0.87500000000000 101.070 > 97 120 Ru 0.83333333333333 0.75000000000000 0.87500000000000 101.070 > 97 121 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 121 122 Ru 0.33333333333333 0.00000000000000 0.00000000000000 101.070 > 121 123 Ru 0.66666666666667 0.00000000000000 0.00000000000000 101.070 > 121 124 Ru 0.00000000000000 0.50000000000000 0.00000000000000 101.070 > 121 125 Ru 0.33333333333333 0.50000000000000 0.00000000000000 101.070 > 121 126 Ru 0.66666666666667 0.50000000000000 0.00000000000000 101.070 > 121 127 Ru 0.00000000000000 0.00000000000000 0.25000000000000 101.070 > 121 128 Ru 0.33333333333333 0.00000000000000 0.25000000000000 101.070 > 121 129 Ru 0.66666666666667 0.00000000000000 0.25000000000000 101.070 > 121 130 Ru 0.00000000000000 0.50000000000000 0.25000000000000 101.070 > 121 131 Ru 0.33333333333333 0.50000000000000 0.25000000000000 101.070 > 121 132 Ru 0.66666666666667 0.50000000000000 0.25000000000000 101.070 > 121 133 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 121 134 Ru 0.33333333333333 0.00000000000000 0.50000000000000 101.070 > 121 135 Ru 0.66666666666667 0.00000000000000 0.50000000000000 101.070 > 121 136 Ru 0.00000000000000 0.50000000000000 0.50000000000000 101.070 > 121 137 Ru 0.33333333333333 0.50000000000000 0.50000000000000 101.070 > 121 138 Ru 0.66666666666667 0.50000000000000 0.50000000000000 101.070 > 121 139 Ru 0.00000000000000 0.00000000000000 0.75000000000000 101.070 > 121 140 Ru 0.33333333333333 0.00000000000000 0.75000000000000 101.070 > 121 141 Ru 0.66666666666667 0.00000000000000 0.75000000000000 101.070 > 121 142 Ru 0.00000000000000 0.50000000000000 0.75000000000000 101.070 > 121 143 Ru 0.33333333333333 0.50000000000000 0.75000000000000 101.070 > 121 144 Ru 0.66666666666667 0.50000000000000 0.75000000000000 101.070 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 21.2209540 0.0000000 0.0000000 0.0000000 22.3880917 0.0000000 0.0000000 0.0000000 16.6225290 -------------------------- Born effective charges -------------------------- 1 P 3.1334546 -0.3249395 0.0000000 -0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 2 P 3.1334546 -0.3249395 0.0000000 -0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 3 P 3.1334546 0.3249395 0.0000000 0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 4 P 3.1334546 0.3249395 0.0000000 0.2460335 2.7241623 0.0000000 0.0000000 0.0000000 3.3878287 5 Ru -6.2669093 -0.0696332 0.0000000 -1.2466394 -5.4483246 0.0000000 0.0000000 0.0000000 -6.7756575 6 Ru -6.2669093 0.0696332 0.0000000 1.2466394 -5.4483246 0.0000000 0.0000000 0.0000000 -6.7756575 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 17 ] 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: 0.94, Number of G-points: 311, Lambda: 0.44 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/270) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 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 5.706 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.255 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 12.746 ( 0.000 0.000 0.000) 0.000 13.389 ( 0.000 0.000 0.000) 0.000 14.364 ( 0.000 0.000 0.000) 0.000 15.285 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/270) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 51.502 0.000 0.000) 51.502 1.077 ( 54.095 0.000 0.000) 54.095 1.564 ( 78.116 0.000 0.000) 78.116 5.688 ( -2.107 0.000 0.000) 2.107 6.343 ( 6.763 0.000 0.000) 6.763 6.700 ( -9.132 0.000 0.000) 9.132 6.986 ( 0.996 0.000 0.000) 0.996 7.742 ( -2.263 0.000 0.000) 2.263 8.129 ( -0.236 0.000 0.000) 0.236 8.259 ( 0.280 0.000 0.000) 0.280 8.437 ( -1.530 0.000 0.000) 1.530 9.064 ( -7.508 0.000 0.000) 7.508 11.537 ( 3.024 0.000 0.000) 3.024 12.696 ( -4.317 0.000 0.000) 4.317 13.067 ( 7.166 0.000 0.000) 7.166 13.426 ( 3.710 0.000 0.000) 3.710 14.321 ( -4.303 0.000 0.000) 4.303 15.220 ( -6.425 0.000 0.000) 6.425 ======================= Grid point 2 (3/270) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 49.441 0.000 0.000) 49.441 2.107 ( 50.516 0.000 0.000) 50.516 3.033 ( 70.895 0.000 0.000) 70.895 5.607 ( -6.729 0.000 0.000) 6.729 6.434 ( -17.753 0.000 0.000) 17.753 6.510 ( 9.207 0.000 0.000) 9.207 7.023 ( 3.043 0.000 0.000) 3.043 7.680 ( -3.961 0.000 0.000) 3.961 8.125 ( -0.082 0.000 0.000) 0.082 8.262 ( -0.065 0.000 0.000) 0.065 8.386 ( -3.655 0.000 0.000) 3.655 8.867 ( -11.890 0.000 0.000) 11.890 11.624 ( 5.707 0.000 0.000) 5.707 12.592 ( -6.169 0.000 0.000) 6.169 13.236 ( 9.495 0.000 0.000) 9.495 13.534 ( 7.325 0.000 0.000) 7.325 14.205 ( -7.241 0.000 0.000) 7.241 15.043 ( -11.351 0.000 0.000) 11.351 ======================= Grid point 3 (4/270) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 46.342 0.000 0.000) 46.342 3.046 ( 45.011 0.000 0.000) 45.011 4.310 ( 57.932 0.000 0.000) 57.932 5.407 ( -13.962 0.000 0.000) 13.962 6.020 ( -23.497 0.000 0.000) 23.497 6.657 ( 4.380 0.000 0.000) 4.380 7.107 ( 5.412 0.000 0.000) 5.412 7.591 ( -5.102 0.000 0.000) 5.102 8.130 ( 0.597 0.000 0.000) 0.597 8.252 ( -0.941 0.000 0.000) 0.941 8.297 ( -5.129 0.000 0.000) 5.129 8.621 ( -12.596 0.000 0.000) 12.596 11.758 ( 7.864 0.000 0.000) 7.864 12.456 ( -7.667 0.000 0.000) 7.667 13.422 ( 9.070 0.000 0.000) 9.070 13.711 ( 10.664 0.000 0.000) 10.664 14.049 ( -8.286 0.000 0.000) 8.286 14.790 ( -14.040 0.000 0.000) 14.040 ======================= Grid point 4 (5/270) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 42.252 0.000 0.000) 42.252 3.863 ( 38.127 0.000 0.000) 38.127 5.053 ( -22.196 0.000 0.000) 22.196 5.082 ( 2.465 0.000 0.000) 2.465 5.725 ( 11.386 0.000 0.000) 11.386 6.622 ( -9.344 0.000 0.000) 9.344 7.228 ( 6.628 0.000 0.000) 6.628 7.482 ( -5.942 0.000 0.000) 5.942 8.150 ( 1.504 0.000 0.000) 1.504 8.215 ( -2.154 0.000 0.000) 2.154 8.225 ( -1.792 0.000 0.000) 1.792 8.393 ( -10.214 0.000 0.000) 10.214 11.927 ( 9.232 0.000 0.000) 9.232 12.294 ( -8.838 0.000 0.000) 8.838 13.587 ( 7.865 0.000 0.000) 7.865 13.888 ( -8.005 0.000 0.000) 8.005 13.946 ( 13.110 0.000 0.000) 13.110 14.505 ( -14.786 0.000 0.000) 14.786 ======================= Grid point 5 (6/270) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.536 ( -30.389 0.000 0.000) 30.389 4.536 ( 30.389 0.000 0.000) 30.389 4.597 ( -35.958 0.000 0.000) 35.958 4.597 ( 35.958 0.000 0.000) 35.958 6.261 ( -26.994 0.000 0.000) 26.994 6.261 ( 26.994 0.000 0.000) 26.994 7.359 ( -6.574 0.000 0.000) 6.574 7.359 ( 6.574 0.000 0.000) 6.574 8.186 ( -2.039 0.000 0.000) 2.039 8.186 ( 2.039 0.000 0.000) 2.039 8.240 ( -4.844 0.000 0.000) 4.844 8.240 ( 4.844 0.000 0.000) 4.844 12.113 ( -9.506 0.000 0.000) 9.506 12.113 ( 9.506 0.000 0.000) 9.506 13.736 ( -7.546 0.000 0.000) 7.546 13.736 ( 7.546 0.000 0.000) 7.546 14.218 ( -14.368 0.000 0.000) 14.368 14.218 ( 14.368 0.000 0.000) 14.368 ======================= Grid point 11 (7/270) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 37.903 0.000) 37.903 1.033 ( 0.000 53.709 0.000) 53.709 1.670 ( 0.000 85.625 0.000) 85.625 5.525 ( 0.000 -18.252 0.000) 18.252 6.192 ( 0.000 -11.966 0.000) 11.966 6.740 ( 0.000 -1.560 0.000) 1.560 7.000 ( 0.000 2.510 0.000) 2.510 7.858 ( 0.000 8.837 0.000) 8.837 8.024 ( 0.000 -8.142 0.000) 8.142 8.340 ( 0.000 5.682 0.000) 5.682 8.728 ( 0.000 -3.779 0.000) 3.779 8.873 ( 0.000 -5.200 0.000) 5.200 11.276 ( 0.000 6.882 0.000) 6.882 12.604 ( 0.000 -4.119 0.000) 4.119 12.827 ( 0.000 6.113 0.000) 6.113 13.477 ( 0.000 9.181 0.000) 9.181 14.342 ( 0.000 -2.653 0.000) 2.653 15.228 ( 0.000 -5.785 0.000) 5.785 ======================= Grid point 12 (8/270) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 45.001 20.737 0.000) 49.549 1.421 ( 34.457 36.484 0.000) 50.184 2.277 ( 52.231 61.286 0.000) 80.524 5.520 ( -0.724 -16.936 0.000) 16.951 6.208 ( 2.001 -13.331 0.000) 13.480 6.711 ( -3.729 0.420 0.000) 3.753 7.006 ( 0.749 2.307 0.000) 2.426 7.829 ( -2.884 8.135 0.000) 8.631 8.026 ( 0.228 -7.743 0.000) 7.746 8.339 ( -0.179 5.424 0.000) 5.427 8.481 ( -9.030 1.464 0.000) 9.148 8.965 ( -2.855 -8.396 0.000) 8.868 11.410 ( 7.284 -4.143 0.000) 8.379 12.750 ( -0.931 0.358 0.000) 0.998 12.913 ( 13.983 -4.661 0.000) 14.739 13.503 ( 2.797 8.163 0.000) 8.629 14.312 ( -3.239 -1.714 0.000) 3.664 15.162 ( -6.572 -5.981 0.000) 8.886 ======================= Grid point 13 (9/270) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 42.734 19.391 0.000) 46.928 2.219 ( 47.635 11.603 0.000) 49.028 3.427 ( 60.939 37.872 0.000) 71.749 5.478 ( -4.266 -13.185 0.000) 13.858 6.183 ( -7.918 -17.492 0.000) 19.201 6.658 ( 0.989 6.827 0.000) 6.898 7.037 ( 2.572 1.640 0.000) 3.050 7.750 ( -5.021 6.422 0.000) 8.152 8.035 ( 0.792 -6.747 0.000) 6.793 8.329 ( -0.951 4.574 0.000) 4.672 8.354 ( -5.415 -3.308 0.000) 6.346 8.817 ( -10.633 -5.050 0.000) 11.771 11.539 ( 6.691 -5.483 0.000) 8.650 12.659 ( -6.789 4.510 0.000) 8.150 13.174 ( 11.960 -4.739 0.000) 12.865 13.588 ( 5.802 5.822 0.000) 8.219 14.219 ( -5.928 0.760 0.000) 5.977 14.981 ( -11.507 -6.398 0.000) 13.166 ======================= Grid point 14 (10/270) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 42.549 9.867 0.000) 43.679 3.117 ( 43.402 7.421 0.000) 44.032 4.566 ( 52.901 25.476 0.000) 58.716 5.330 ( -11.238 -7.965 0.000) 13.774 5.887 ( -19.740 -12.711 0.000) 23.478 6.731 ( 3.724 6.561 0.000) 7.544 7.112 ( 5.079 0.774 0.000) 5.138 7.637 ( -6.286 4.317 0.000) 7.626 8.060 ( 1.816 -5.322 0.000) 5.623 8.244 ( -5.702 -5.264 0.000) 7.761 8.299 ( -2.192 3.081 0.000) 3.781 8.585 ( -12.435 -3.825 0.000) 13.010 11.687 ( 8.492 -5.511 0.000) 10.123 12.499 ( -9.294 3.027 0.000) 9.774 13.392 ( 10.278 -2.992 0.000) 10.705 13.723 ( 7.502 2.189 0.000) 7.815 14.094 ( -6.289 3.672 0.000) 7.282 14.728 ( -13.845 -6.527 0.000) 15.306 ======================= Grid point 15 (11/270) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 39.756 3.733 0.000) 39.931 3.906 ( 36.701 4.414 0.000) 36.966 5.026 ( -19.916 -2.861 0.000) 20.121 5.147 ( -12.837 4.166 0.000) 13.496 5.766 ( 26.283 6.602 0.000) 27.099 6.709 ( -7.989 8.503 0.000) 11.668 7.230 ( 6.745 0.440 0.000) 6.760 7.507 ( -6.922 2.365 0.000) 7.315 8.108 ( 2.993 -3.466 0.000) 4.579 8.156 ( -2.220 -6.016 0.000) 6.412 8.244 ( -3.307 1.052 0.000) 3.470 8.352 ( -10.748 -4.224 0.000) 11.549 11.872 ( 10.299 -4.705 0.000) 11.323 12.301 ( -10.742 0.136 0.000) 10.742 13.578 ( 8.729 -1.339 0.000) 8.831 13.829 ( 0.060 -2.129 0.000) 2.130 14.029 ( 3.004 4.959 0.000) 5.798 14.454 ( -13.741 -5.383 0.000) 14.758 ======================= Grid point 16 (12/270) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.549 ( -28.664 1.223 0.000) 28.690 4.549 ( 28.664 1.223 0.000) 28.690 4.593 ( -34.861 -0.271 0.000) 34.862 4.593 ( 34.861 -0.271 0.000) 34.862 6.372 ( -26.248 11.160 0.000) 28.522 6.372 ( 26.248 11.160 0.000) 28.522 7.368 ( -7.160 0.993 0.000) 7.228 7.368 ( 7.160 0.993 0.000) 7.228 8.174 ( -3.645 -1.250 0.000) 3.853 8.174 ( 3.645 -1.250 0.000) 3.853 8.187 ( -5.430 -5.462 0.000) 7.702 8.187 ( 5.430 -5.462 0.000) 7.702 12.084 ( -11.137 -2.738 0.000) 11.469 12.084 ( 11.137 -2.738 0.000) 11.469 13.735 ( -7.183 -0.219 0.000) 7.187 13.735 ( 7.183 -0.219 0.000) 7.187 14.200 ( -11.784 -1.834 0.000) 11.926 14.200 ( 11.784 -1.834 0.000) 11.926 ======================= Grid point 22 (13/270) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 39.033 0.000) 39.033 2.022 ( 0.000 50.449 0.000) 50.449 3.194 ( 0.000 73.769 0.000) 73.769 5.060 ( 0.000 -29.721 0.000) 29.721 5.873 ( 0.000 -20.880 0.000) 20.880 6.688 ( 0.000 -4.275 0.000) 4.275 7.072 ( 0.000 5.064 0.000) 5.064 7.859 ( 0.000 -9.123 0.000) 9.123 8.056 ( 0.000 11.099 0.000) 11.099 8.434 ( 0.000 3.950 0.000) 3.950 8.632 ( 0.000 -6.040 0.000) 6.040 8.744 ( 0.000 -8.005 0.000) 8.005 11.460 ( 0.000 12.124 0.000) 12.124 12.519 ( 0.000 -5.056 0.000) 5.056 12.958 ( 0.000 7.885 0.000) 7.885 13.722 ( 0.000 16.001 0.000) 16.001 14.246 ( 0.000 -7.944 0.000) 7.944 15.081 ( 0.000 -9.249 0.000) 9.249 ======================= Grid point 23 (14/270) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 31.827 30.924 0.000) 44.377 2.208 ( 18.355 43.988 0.000) 47.664 3.519 ( 30.907 64.751 0.000) 71.749 5.087 ( 2.410 -27.851 0.000) 27.955 5.871 ( -0.633 -21.271 0.000) 21.281 6.696 ( 0.927 -2.386 0.000) 2.560 7.075 ( 0.330 4.878 0.000) 4.889 7.852 ( -0.756 -8.632 0.000) 8.665 8.029 ( -2.486 10.359 0.000) 10.653 8.427 ( -0.749 3.619 0.000) 3.695 8.456 ( -10.786 -3.422 0.000) 11.316 8.789 ( -1.114 -9.812 0.000) 9.875 11.466 ( 1.117 8.665 0.000) 8.737 12.638 ( 7.428 -8.399 0.000) 11.213 12.990 ( 4.209 8.101 0.000) 9.129 13.724 ( 0.419 14.557 0.000) 14.563 14.235 ( -1.142 -6.863 0.000) 6.957 15.010 ( -7.088 -9.530 0.000) 11.877 ======================= Grid point 24 (15/270) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 40.687 20.768 0.000) 45.681 2.694 ( 29.615 30.827 0.000) 42.748 4.290 ( 44.854 48.642 0.000) 66.165 5.133 ( 1.530 -22.486 0.000) 22.538 5.809 ( -6.945 -21.358 0.000) 22.459 6.744 ( 4.498 2.220 0.000) 5.016 7.092 ( 1.624 4.199 0.000) 4.502 7.815 ( -3.654 -4.481 0.000) 5.782 7.982 ( -1.500 5.510 0.000) 5.711 8.270 ( -8.387 -5.154 0.000) 9.844 8.400 ( -2.141 2.637 0.000) 3.396 8.686 ( -8.617 -8.553 0.000) 12.141 11.515 ( 3.935 3.653 0.000) 5.370 12.669 ( -4.210 -4.737 0.000) 6.337 13.142 ( 10.018 2.786 0.000) 10.398 13.750 ( 2.327 10.804 0.000) 11.052 14.201 ( -2.315 -3.434 0.000) 4.142 14.815 ( -12.303 -10.425 0.000) 16.126 ======================= Grid point 25 (16/270) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 33.349 18.708 0.000) 38.238 3.321 ( 38.867 13.839 0.000) 41.257 5.114 ( -4.222 -14.525 0.000) 15.126 5.184 ( 43.049 37.018 0.000) 56.777 5.582 ( -14.528 -18.770 0.000) 23.735 6.861 ( 6.206 6.345 0.000) 8.875 7.146 ( 4.072 3.001 0.000) 5.058 7.705 ( -7.082 0.821 0.000) 7.130 7.986 ( 1.802 -0.758 0.000) 1.955 8.115 ( -7.494 -7.780 0.000) 10.802 8.341 ( -3.908 1.129 0.000) 4.068 8.479 ( -11.934 -7.277 0.000) 13.978 11.623 ( 7.151 -0.093 0.000) 7.151 12.516 ( -10.551 -2.238 0.000) 10.785 13.340 ( 9.960 -1.158 0.000) 10.027 13.809 ( 3.205 6.562 0.000) 7.303 14.148 ( -2.946 1.125 0.000) 3.154 14.551 ( -13.886 -11.592 0.000) 18.089 ======================= Grid point 26 (17/270) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 32.925 8.934 0.000) 34.115 4.026 ( 32.477 8.099 0.000) 33.472 4.944 ( -13.518 -5.812 0.000) 14.714 5.137 ( -24.552 -5.462 0.000) 25.152 6.042 ( 37.528 21.568 0.000) 43.284 6.910 ( -3.624 11.858 0.000) 12.399 7.252 ( 6.510 1.933 0.000) 6.791 7.553 ( -8.139 1.854 0.000) 8.348 8.001 ( -2.813 -9.927 0.000) 10.318 8.046 ( 4.141 -2.515 0.000) 4.845 8.239 ( -11.901 -7.511 0.000) 14.073 8.249 ( -5.277 -0.603 0.000) 5.311 11.796 ( 10.408 -2.420 0.000) 10.685 12.280 ( -12.967 -2.551 0.000) 13.216 13.535 ( 9.925 -2.617 0.000) 10.264 13.839 ( -1.575 2.720 0.000) 3.143 14.103 ( -0.653 2.577 0.000) 2.659 14.303 ( -10.546 -10.264 0.000) 14.716 ======================= Grid point 27 (18/270) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.579 ( -23.590 1.851 0.000) 23.663 4.579 ( 23.590 1.851 0.000) 23.663 4.596 ( -30.033 0.787 0.000) 30.043 4.596 ( 30.033 0.787 0.000) 30.043 6.650 ( -23.064 17.129 0.000) 28.729 6.650 ( 23.064 17.129 0.000) 28.729 7.394 ( -7.861 1.671 0.000) 8.037 7.394 ( 7.861 1.671 0.000) 8.037 8.043 ( -7.010 -9.364 0.000) 11.698 8.043 ( 7.010 -9.364 0.000) 11.698 8.142 ( -5.441 -2.057 0.000) 5.817 8.142 ( 5.441 -2.057 0.000) 5.817 12.025 ( -12.687 -3.115 0.000) 13.064 12.025 ( 12.687 -3.115 0.000) 13.064 13.725 ( -8.918 -1.002 0.000) 8.974 13.725 ( 8.918 -1.002 0.000) 8.974 14.150 ( -5.222 -3.230 0.000) 6.140 14.150 ( 5.222 -3.230 0.000) 6.140 ======================= Grid point 33 (19/270) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 40.140 0.000) 40.140 2.937 ( 0.000 46.008 0.000) 46.008 4.363 ( 0.000 43.007 0.000) 43.007 4.431 ( 0.000 -36.028 0.000) 36.028 5.484 ( 0.000 -13.918 0.000) 13.918 6.558 ( 0.000 -10.326 0.000) 10.326 7.189 ( 0.000 7.101 0.000) 7.101 7.682 ( 0.000 -9.395 0.000) 9.395 8.253 ( 0.000 9.260 0.000) 9.260 8.483 ( 0.000 1.176 0.000) 1.176 8.518 ( 0.000 -5.454 0.000) 5.454 8.590 ( 0.000 -7.622 0.000) 7.622 11.717 ( 0.000 14.485 0.000) 14.485 12.401 ( 0.000 -7.605 0.000) 7.605 13.139 ( 0.000 11.517 0.000) 11.517 14.032 ( 0.000 -14.499 0.000) 14.499 14.053 ( 0.000 18.107 0.000) 18.107 14.890 ( 0.000 -10.793 0.000) 10.793 ======================= Grid point 34 (20/270) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 22.455 35.477 0.000) 41.987 3.037 ( 10.144 42.866 0.000) 44.050 4.496 ( 6.261 -33.857 0.000) 34.431 4.550 ( 18.110 35.071 0.000) 39.471 5.499 ( 1.338 -10.140 0.000) 10.227 6.599 ( 4.314 -8.587 0.000) 9.610 7.188 ( 0.011 6.980 0.000) 6.980 7.679 ( -0.350 -9.367 0.000) 9.373 8.221 ( -3.108 9.276 0.000) 9.783 8.384 ( -9.721 -3.273 0.000) 10.258 8.470 ( -1.457 0.765 0.000) 1.646 8.603 ( -1.880 -9.565 0.000) 9.748 11.690 ( -1.913 14.047 0.000) 14.177 12.462 ( 4.257 -10.407 0.000) 11.244 13.175 ( 3.680 11.580 0.000) 12.151 14.011 ( -1.981 4.930 0.000) 5.313 14.057 ( 0.554 -1.743 0.000) 1.829 14.818 ( -7.292 -10.624 0.000) 12.886 ======================= Grid point 35 (21/270) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 32.385 26.759 0.000) 42.010 3.323 ( 18.448 34.705 0.000) 39.304 4.651 ( 8.599 -27.826 0.000) 29.125 4.990 ( 22.560 6.220 0.000) 23.402 5.546 ( 5.461 10.807 0.000) 12.108 6.730 ( 8.966 -4.452 0.000) 10.011 7.194 ( 0.788 6.504 0.000) 6.552 7.668 ( -0.857 -8.942 0.000) 8.983 8.140 ( -4.808 8.843 0.000) 10.066 8.185 ( -10.231 -2.940 0.000) 10.645 8.423 ( -3.377 -0.287 0.000) 3.389 8.505 ( -7.727 -10.246 0.000) 12.833 11.668 ( 0.003 11.826 0.000) 11.826 12.498 ( -1.473 -12.245 0.000) 12.334 13.271 ( 5.600 10.065 0.000) 11.518 13.970 ( -1.736 9.951 0.000) 10.102 14.073 ( 1.037 -8.260 0.000) 8.325 14.616 ( -12.848 -10.104 0.000) 16.345 ======================= Grid point 36 (22/270) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 32.081 18.492 0.000) 37.029 3.734 ( 22.731 24.338 0.000) 33.302 4.793 ( 4.890 -18.960 0.000) 19.580 5.179 ( -3.947 -22.921 0.000) 23.258 5.893 ( 28.995 35.363 0.000) 45.730 6.938 ( 11.537 0.640 0.000) 11.555 7.227 ( 2.743 5.440 0.000) 6.092 7.638 ( -2.586 -6.683 0.000) 7.166 7.985 ( -10.197 -4.717 0.000) 11.235 8.053 ( -3.393 6.330 0.000) 7.182 8.315 ( -11.263 -9.763 0.000) 14.906 8.337 ( -5.333 -1.562 0.000) 5.557 11.698 ( 3.280 7.915 0.000) 8.568 12.400 ( -8.143 -9.785 0.000) 12.730 13.383 ( 5.785 5.955 0.000) 8.302 13.952 ( -0.435 7.958 0.000) 7.970 14.091 ( 0.601 -8.656 0.000) 8.677 14.339 ( -14.370 -8.695 0.000) 16.796 ======================= Grid point 37 (23/270) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.189 ( 23.124 13.323 0.000) 26.687 4.205 ( 25.658 10.497 0.000) 27.722 4.807 ( -4.222 -8.572 0.000) 9.556 4.975 ( -15.065 -10.903 0.000) 18.597 6.496 ( 29.700 24.249 0.000) 38.342 7.121 ( 4.205 9.004 0.000) 9.938 7.306 ( 5.279 3.786 0.000) 6.497 7.555 ( -5.747 -1.900 0.000) 6.052 7.809 ( -5.821 -9.075 0.000) 10.781 8.031 ( 1.447 1.225 0.000) 1.896 8.075 ( -12.784 -9.578 0.000) 15.974 8.220 ( -6.352 -2.457 0.000) 6.810 11.801 ( 7.266 3.186 0.000) 7.934 12.201 ( -11.383 -5.766 0.000) 12.760 13.510 ( 7.645 0.841 0.000) 7.691 13.896 ( -7.748 1.372 0.000) 7.868 14.087 ( -1.011 -9.538 0.000) 9.591 14.130 ( -4.344 -0.789 0.000) 4.415 ======================= Grid point 38 (24/270) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( -15.563 1.606 0.000) 15.646 4.613 ( 15.563 1.606 0.000) 15.646 4.621 ( -20.486 1.674 0.000) 20.554 4.621 ( 20.486 1.674 0.000) 20.554 6.984 ( -18.108 17.182 0.000) 24.962 6.984 ( 18.108 17.182 0.000) 24.962 7.427 ( -6.791 1.664 0.000) 6.992 7.427 ( 6.791 1.664 0.000) 6.992 7.846 ( -9.033 -11.141 0.000) 14.343 7.846 ( 9.033 -11.141 0.000) 14.343 8.102 ( -5.284 -1.997 0.000) 5.649 8.102 ( 5.284 -1.997 0.000) 5.649 11.980 ( -10.638 -1.483 0.000) 10.741 11.980 ( 10.638 -1.483 0.000) 10.741 13.691 ( -10.704 -2.493 0.000) 10.990 13.691 ( 10.704 -2.493 0.000) 10.990 14.093 ( -1.205 -2.467 0.000) 2.746 14.093 ( 1.205 -2.467 0.000) 2.746 ======================= Grid point 44 (25/270) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 0.000 40.447 0.000) 40.447 3.714 ( 0.000 -39.281 0.000) 39.281 3.759 ( 0.000 40.428 0.000) 40.428 4.429 ( 0.000 -27.221 0.000) 27.221 5.733 ( 0.000 31.459 0.000) 31.459 6.261 ( 0.000 -21.813 0.000) 21.813 7.337 ( 0.000 8.468 0.000) 8.468 7.506 ( 0.000 -9.200 0.000) 9.200 8.397 ( 0.000 5.901 0.000) 5.901 8.448 ( 0.000 -1.365 0.000) 1.365 8.474 ( 0.000 -2.224 0.000) 2.224 8.475 ( 0.000 -4.095 0.000) 4.095 11.989 ( 0.000 13.785 0.000) 13.785 12.226 ( 0.000 -10.990 0.000) 10.990 13.398 ( 0.000 15.761 0.000) 15.761 13.720 ( 0.000 -17.544 0.000) 17.544 14.384 ( 0.000 16.423 0.000) 16.423 14.665 ( 0.000 -13.224 0.000) 13.224 ======================= Grid point 45 (26/270) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 15.824 37.228 0.000) 40.451 3.816 ( 5.863 38.994 0.000) 39.432 3.823 ( 10.648 -36.738 0.000) 38.250 4.482 ( 5.093 -29.057 0.000) 29.500 5.829 ( 9.541 31.572 0.000) 32.982 6.335 ( 7.359 -20.204 0.000) 21.502 7.335 ( -0.183 8.404 0.000) 8.406 7.502 ( -0.282 -9.177 0.000) 9.181 8.362 ( -7.324 1.428 0.000) 7.462 8.369 ( -2.857 6.191 0.000) 6.819 8.443 ( -4.201 -6.836 0.000) 8.024 8.453 ( -2.222 -2.638 0.000) 3.449 11.970 ( -1.635 14.936 0.000) 15.026 12.239 ( 0.753 -13.118 0.000) 13.139 13.431 ( 3.145 15.316 0.000) 15.636 13.742 ( 2.094 -16.804 0.000) 16.934 14.338 ( -4.489 15.283 0.000) 15.928 14.601 ( -6.364 -12.484 0.000) 14.012 ======================= Grid point 46 (27/270) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( 24.104 29.792 0.000) 38.322 3.983 ( 10.769 34.417 0.000) 36.063 4.097 ( 16.170 -30.134 0.000) 34.199 4.606 ( 6.758 -30.573 0.000) 31.311 6.094 ( 17.045 30.285 0.000) 34.752 6.540 ( 13.230 -16.424 0.000) 21.089 7.334 ( 0.194 8.104 0.000) 8.107 7.497 ( -0.254 -8.958 0.000) 8.962 8.188 ( -9.972 3.651 0.000) 10.619 8.289 ( -5.099 6.668 0.000) 8.394 8.315 ( -8.412 -9.106 0.000) 12.397 8.387 ( -4.463 -3.554 0.000) 5.705 11.934 ( -1.871 15.540 0.000) 15.653 12.232 ( -1.772 -15.356 0.000) 15.458 13.505 ( 3.816 14.286 0.000) 14.787 13.794 ( 2.922 -15.446 0.000) 15.720 14.224 ( -6.612 11.739 0.000) 13.473 14.429 ( -10.603 -10.017 0.000) 14.587 ======================= Grid point 47 (28/270) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 23.760 20.962 0.000) 31.685 4.220 ( 12.812 26.408 0.000) 29.351 4.410 ( 14.504 -21.115 0.000) 25.617 4.717 ( 3.812 -25.646 0.000) 25.928 6.478 ( 21.546 25.522 0.000) 33.401 6.838 ( 16.612 -12.089 0.000) 20.545 7.348 ( 1.410 7.212 0.000) 7.349 7.494 ( -0.065 -7.947 0.000) 7.947 7.978 ( -11.486 4.338 0.000) 12.278 8.123 ( -11.023 -9.868 0.000) 14.795 8.179 ( -5.791 6.366 0.000) 8.607 8.281 ( -6.115 -4.278 0.000) 7.463 11.905 ( -0.888 13.168 0.000) 13.198 12.168 ( -4.532 -13.869 0.000) 14.591 13.562 ( 1.736 12.553 0.000) 12.673 13.835 ( 0.382 -15.430 0.000) 15.435 14.103 ( -5.171 7.141 0.000) 8.817 14.221 ( -9.298 -5.456 0.000) 10.780 ======================= Grid point 48 (29/270) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( 16.693 11.321 0.000) 20.170 4.462 ( 11.368 14.974 0.000) 18.800 4.623 ( 6.352 -10.582 0.000) 12.342 4.739 ( -1.746 -13.825 0.000) 13.935 6.910 ( 21.644 18.666 0.000) 28.581 7.164 ( 15.519 -6.429 0.000) 16.798 7.391 ( 2.898 5.051 0.000) 5.823 7.488 ( -0.851 -4.779 0.000) 4.854 7.738 ( -12.501 3.334 0.000) 12.938 7.885 ( -13.129 -10.030 0.000) 16.522 8.084 ( -3.235 3.824 0.000) 5.009 8.159 ( -5.887 -3.821 0.000) 7.018 11.909 ( 1.495 7.633 0.000) 7.778 12.066 ( -5.556 -8.260 0.000) 9.954 13.585 ( 1.444 7.218 0.000) 7.361 13.771 ( -6.525 -11.348 0.000) 13.090 14.047 ( -0.301 2.998 0.000) 3.013 14.103 ( -3.150 -2.378 0.000) 3.947 ======================= Grid point 49 (30/270) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( -5.443 0.628 0.000) 5.479 4.635 ( 5.443 0.628 0.000) 5.479 4.648 ( -7.292 0.891 0.000) 7.346 4.648 ( 7.292 0.891 0.000) 7.346 7.269 ( -11.287 11.546 0.000) 16.146 7.269 ( 11.287 11.546 0.000) 16.146 7.451 ( -2.803 0.723 0.000) 2.895 7.451 ( 2.803 0.723 0.000) 2.895 7.640 ( -8.581 -9.353 0.000) 12.693 7.640 ( 8.581 -9.353 0.000) 12.693 8.073 ( -2.280 -0.853 0.000) 2.434 8.073 ( 2.280 -0.853 0.000) 2.434 11.966 ( -4.253 -0.189 0.000) 4.257 11.966 ( 4.253 -0.189 0.000) 4.257 13.646 ( -5.038 -1.653 0.000) 5.302 13.646 ( 5.038 -1.653 0.000) 5.302 14.063 ( -1.430 -0.690 0.000) 1.587 14.063 ( 1.430 -0.690 0.000) 1.587 ======================= Grid point 99 (31/270) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 0.000 37.810) 37.810 1.122 ( 0.000 0.000 53.603) 53.603 1.538 ( 0.000 0.000 73.574) 73.574 5.847 ( 0.000 0.000 13.316) 13.316 6.315 ( 0.000 0.000 4.010) 4.010 6.728 ( 0.000 0.000 -2.345) 2.345 7.180 ( 0.000 0.000 18.991) 18.991 7.867 ( 0.000 0.000 9.157) 9.157 8.238 ( 0.000 0.000 9.924) 9.924 8.452 ( 0.000 0.000 0.231) 0.231 8.779 ( 0.000 0.000 1.460) 1.460 11.215 ( 0.000 0.000 0.607) 0.607 11.502 ( 0.000 0.000 -0.505) 0.505 11.950 ( 0.000 0.000 0.818) 0.818 12.747 ( 0.000 0.000 0.110) 0.110 13.375 ( 0.000 0.000 -1.364) 1.364 14.327 ( 0.000 0.000 -3.605) 3.605 15.231 ( 0.000 0.000 -5.141) 5.141 ======================= Grid point 100 (32/270) ======================= q-point: ( 0.10 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 31.117 0.000 29.745) 43.047 1.280 ( 40.208 0.000 22.444) 46.048 2.340 ( 57.012 0.000 54.844) 79.109 5.831 ( -1.963 0.000 13.451) 13.593 6.374 ( 5.660 0.000 3.043) 6.426 6.653 ( -7.940 0.000 -2.714) 8.391 7.189 ( 1.072 0.000 18.951) 18.981 7.847 ( -1.930 0.000 9.419) 9.615 8.235 ( -0.380 0.000 9.737) 9.745 8.440 ( -1.299 0.000 0.507) 1.395 8.673 ( -8.903 0.000 9.337) 12.902 9.738 ( -54.349 0.000 50.878) 74.447 11.532 ( 3.062 0.000 -0.468) 3.098 12.601 ( 4.687 0.000 -11.307) 12.240 12.868 ( 16.112 0.000 -8.277) 18.113 13.412 ( 3.726 0.000 -1.308) 3.949 14.285 ( -4.082 0.000 -3.391) 5.307 15.169 ( -6.224 0.000 -4.946) 7.950 ======================= Grid point 101 (33/270) ======================= q-point: ( 0.20 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 48.518 0.000 5.557) 48.835 2.141 ( 45.515 0.000 12.042) 47.081 3.496 ( 58.523 0.000 38.103) 69.834 5.751 ( -6.716 0.000 13.578) 15.148 6.412 ( -16.516 0.000 -1.624) 16.596 6.511 ( 7.322 0.000 0.504) 7.339 7.231 ( 3.440 0.000 19.037) 19.345 7.794 ( -3.418 0.000 10.181) 10.739 8.224 ( -0.759 0.000 8.640) 8.673 8.401 ( -2.617 0.000 2.036) 3.316 8.513 ( -6.550 0.000 13.335) 14.857 9.091 ( -21.006 0.000 25.491) 33.031 11.619 ( 5.744 0.000 -0.395) 5.758 12.556 ( -5.198 0.000 -3.731) 6.398 13.151 ( 12.521 0.000 -6.840) 14.267 13.519 ( 7.114 0.000 -1.394) 7.249 14.175 ( -6.901 0.000 -2.845) 7.464 14.997 ( -11.022 0.000 -4.428) 11.878 ======================= Grid point 102 (34/270) ======================= q-point: ( 0.30 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 44.250 0.000 6.978) 44.796 3.055 ( 46.507 0.000 1.598) 46.535 4.568 ( 48.756 0.000 23.191) 53.991 5.547 ( -14.455 0.000 12.977) 19.425 6.024 ( -21.746 0.000 0.685) 21.757 6.624 ( 3.178 0.000 -2.062) 3.788 7.323 ( 5.607 0.000 19.289) 20.087 7.716 ( -4.393 0.000 11.305) 12.129 8.199 ( -1.980 0.000 4.648) 5.052 8.352 ( -1.706 0.000 7.126) 7.327 8.406 ( -4.903 0.000 9.583) 10.764 8.757 ( -14.109 0.000 16.640) 21.816 11.754 ( 7.824 0.000 -0.394) 7.834 12.432 ( -7.231 0.000 -2.415) 7.623 13.376 ( 10.442 0.000 -4.097) 11.217 13.689 ( 10.259 0.000 -1.967) 10.445 14.026 ( -7.985 0.000 -2.217) 8.287 14.751 ( -13.708 0.000 -3.781) 14.220 ======================= Grid point 103 (35/270) ======================= q-point: ( 0.40 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( 40.629 0.000 3.708) 40.798 3.906 ( 39.852 0.000 3.351) 39.993 5.144 ( -5.690 0.000 5.774) 8.106 5.178 ( -23.101 0.000 11.330) 25.730 5.805 ( 14.667 0.000 8.159) 16.784 6.591 ( -7.752 0.000 -1.892) 7.980 7.434 ( 5.343 0.000 18.647) 19.397 7.625 ( -4.811 0.000 13.020) 13.881 8.161 ( -0.822 0.000 1.080) 1.357 8.304 ( -5.754 0.000 4.480) 7.292 8.351 ( 1.547 0.000 12.655) 12.749 8.532 ( -8.766 0.000 15.886) 18.144 11.921 ( 9.058 0.000 -0.601) 9.078 12.277 ( -8.498 0.000 -1.665) 8.659 13.561 ( 8.497 0.000 -2.440) 8.840 13.870 ( -7.883 0.000 -1.787) 8.083 13.918 ( 12.909 0.000 -2.617) 13.172 14.471 ( -14.568 0.000 -3.242) 14.925 ======================= Grid point 104 (36/270) ======================= q-point: (-0.50 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.528 ( -1.891 0.000 -0.194) 1.901 4.528 ( 1.891 0.000 -0.194) 1.901 4.720 ( -1.115 0.000 10.268) 10.328 4.720 ( 1.115 0.000 10.268) 10.328 6.288 ( -23.013 0.000 3.140) 23.226 6.288 ( 23.013 0.000 3.140) 23.226 7.531 ( -4.765 0.000 15.877) 16.577 7.531 ( 4.765 0.000 15.877) 16.577 8.196 ( -4.336 0.000 1.477) 4.581 8.196 ( 4.336 0.000 1.477) 4.581 8.408 ( -4.314 0.000 15.198) 15.798 8.408 ( 4.314 0.000 15.198) 15.798 12.102 ( -9.221 0.000 -1.052) 9.281 12.102 ( 9.221 0.000 -1.052) 9.281 13.718 ( -7.709 0.000 -1.778) 7.912 13.718 ( 7.709 0.000 -1.778) 7.912 14.187 ( -14.260 0.000 -2.924) 14.557 14.187 ( 14.260 0.000 -2.924) 14.557 ======================= Grid point 110 (37/270) ======================= q-point: ( 0.00 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 35.774 38.938) 52.877 1.527 ( 0.000 30.226 43.967) 53.355 1.976 ( 0.000 61.571 37.339) 72.009 5.663 ( 0.000 -18.284 12.949) 22.405 6.214 ( 0.000 -10.785 3.634) 11.381 6.731 ( 0.000 -0.150 -0.692) 0.708 7.202 ( 0.000 2.384 18.807) 18.957 7.955 ( 0.000 8.491 8.832) 12.251 8.225 ( 0.000 -4.235 11.861) 12.594 8.388 ( 0.000 -3.211 0.882) 3.330 8.743 ( 0.000 -3.656 1.598) 3.990 9.926 ( 0.000 -64.335 59.094) 87.356 11.281 ( 0.000 6.779 0.508) 6.798 12.512 ( 0.000 8.757 -8.058) 11.900 12.763 ( 0.000 4.208 -3.006) 5.171 13.459 ( 0.000 8.868 -1.612) 9.013 14.306 ( 0.000 -2.432 -3.403) 4.183 15.172 ( 0.000 -6.062 -5.397) 8.117 ======================= Grid point 111 (38/270) ======================= q-point: ( 0.10 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 18.109 27.441 27.450) 42.830 1.868 ( 27.301 38.054 25.256) 53.211 2.680 ( 52.046 38.481 38.768) 75.449 5.662 ( -0.450 -16.888 13.190) 21.433 6.240 ( 1.794 -13.033 3.303) 13.564 6.686 ( -4.097 2.160 -1.262) 4.801 7.208 ( 0.811 2.131 18.753) 18.891 7.929 ( -2.578 7.803 9.107) 12.267 8.219 ( -0.563 -3.740 12.587) 13.143 8.373 ( -1.578 -3.897 0.524) 4.237 8.656 ( -7.222 -2.048 7.136) 10.357 9.457 ( -28.234 -22.176 43.963) 56.759 11.411 ( 7.113 -3.892 0.117) 8.109 12.727 ( -2.661 7.733 -5.256) 9.721 12.788 ( 17.895 -4.955 -6.558) 19.693 13.487 ( 2.940 7.941 -1.460) 8.593 14.276 ( -3.111 -1.510 -3.363) 4.824 15.108 ( -6.341 -6.224 -5.173) 10.282 ======================= Grid point 112 (39/270) ======================= q-point: ( 0.20 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 42.135 12.987 6.323) 44.543 2.530 ( 38.109 26.150 16.832) 49.188 3.752 ( 54.900 27.054 29.853) 68.096 5.624 ( -4.069 -12.892 13.613) 19.185 6.201 ( -8.457 -16.108 1.972) 18.299 6.629 ( 0.244 6.470 -1.930) 6.756 7.244 ( 3.079 1.486 18.853) 19.160 7.858 ( -4.559 5.977 9.760) 12.319 8.206 ( -0.782 -2.551 12.481) 12.763 8.325 ( -3.160 -5.874 1.003) 6.745 8.524 ( -5.650 0.237 9.911) 11.411 9.026 ( -17.402 -6.417 23.588) 30.007 11.539 ( 6.688 -5.174 0.006) 8.456 12.630 ( -6.576 5.364 -2.952) 8.985 13.101 ( 13.760 -3.978 -6.090) 15.564 13.574 ( 5.769 5.834 -1.359) 8.317 14.188 ( -5.614 0.771 -2.917) 6.374 14.933 ( -11.130 -6.562 -4.580) 13.708 ======================= Grid point 113 (40/270) ======================= q-point: ( 0.30 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 43.809 4.992 0.726) 44.098 3.305 ( 39.861 16.889 11.873) 44.890 4.760 ( 45.486 19.939 18.291) 52.925 5.477 ( -11.317 -7.236 13.418) 18.986 5.913 ( -18.370 -11.253 2.913) 21.739 6.675 ( 2.365 4.970 -3.955) 6.777 7.331 ( 5.533 1.008 19.261) 20.065 7.757 ( -5.612 3.686 10.687) 12.621 8.175 ( -2.895 -2.537 4.928) 6.253 8.273 ( -1.234 -6.588 8.455) 10.789 8.425 ( -4.841 0.685 7.702) 9.123 8.728 ( -13.243 -3.017 16.991) 21.752 11.686 ( 8.430 -5.210 -0.042) 9.910 12.476 ( -8.957 3.273 -2.244) 9.797 13.346 ( 11.383 -2.993 -4.122) 12.470 13.705 ( 7.322 2.496 -1.590) 7.897 14.069 ( -6.086 3.568 -2.389) 7.449 14.688 ( -13.474 -6.598 -3.848) 15.488 ======================= Grid point 114 (41/270) ======================= q-point: ( 0.40 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 39.718 0.766 0.053) 39.726 4.061 ( 36.445 10.512 10.096) 39.252 5.097 ( -19.507 -2.811 4.920) 20.314 5.248 ( -17.217 3.505 11.200) 20.837 5.845 ( 24.861 5.741 7.993) 26.738 6.651 ( -6.495 6.073 -4.119) 9.800 7.442 ( 5.366 1.004 18.790) 19.567 7.645 ( -5.644 1.780 12.387) 13.728 8.119 ( -1.283 -4.615 0.390) 4.806 8.259 ( -2.789 -4.110 7.145) 8.702 8.342 ( -1.540 -1.076 10.684) 10.848 8.512 ( -8.540 -1.895 16.834) 18.972 11.869 ( 10.091 -4.425 -0.297) 11.023 12.285 ( -10.371 0.320 -1.523) 10.488 13.550 ( 9.432 -1.503 -2.593) 9.897 13.812 ( 0.209 -1.902 -1.683) 2.548 14.003 ( 2.693 5.022 -2.453) 6.204 14.420 ( -13.498 -5.387 -3.252) 14.892 ======================= Grid point 115 (42/270) ======================= q-point: (-0.50 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( -26.509 -0.136 -0.350) 26.512 4.521 ( 26.509 -0.136 -0.350) 26.512 4.756 ( -23.883 3.144 12.508) 27.143 4.756 ( 23.883 3.144 12.508) 27.143 6.373 ( -22.145 8.681 0.822) 23.800 6.373 ( 22.145 8.681 0.822) 23.800 7.540 ( -4.976 0.933 15.641) 16.440 7.540 ( 4.976 0.933 15.641) 16.440 8.157 ( -4.903 -4.173 1.186) 6.547 8.157 ( 4.903 -4.173 1.186) 6.547 8.387 ( -4.570 -1.890 16.114) 16.856 8.387 ( 4.570 -1.890 16.114) 16.856 12.076 ( -10.805 -2.503 -0.827) 11.122 12.076 ( 10.805 -2.503 -0.827) 11.122 13.716 ( -7.435 -0.221 -1.762) 7.644 13.716 ( 7.435 -0.221 -1.762) 7.644 14.170 ( -11.629 -1.759 -2.876) 12.108 14.170 ( 11.629 -1.759 -2.876) 12.108 ======================= Grid point 121 (43/270) ======================= q-point: ( 0.00 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.000 27.430 45.215) 52.885 2.295 ( 0.000 43.637 24.554) 50.071 3.326 ( 0.000 70.312 13.591) 71.613 5.206 ( 0.000 -28.784 13.613) 31.840 5.917 ( 0.000 -19.871 4.572) 20.391 6.704 ( 0.000 -3.117 1.743) 3.572 7.272 ( 0.000 4.935 18.469) 19.117 8.055 ( 0.000 -10.929 14.070) 17.816 8.145 ( 0.000 10.474 7.917) 13.129 8.394 ( 0.000 1.673 -0.319) 1.703 8.652 ( 0.000 -5.439 2.360) 5.929 9.198 ( 0.000 -22.193 36.064) 42.345 11.462 ( 0.000 11.972 0.261) 11.975 12.517 ( 0.000 -3.987 -0.107) 3.988 12.898 ( 0.000 8.733 -5.425) 10.280 13.696 ( 0.000 15.487 -2.359) 15.666 14.216 ( 0.000 -7.636 -2.881) 8.162 15.018 ( 0.000 -9.593 -6.004) 11.316 ======================= Grid point 122 (44/270) ======================= q-point: ( 0.10 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 12.570 33.465 25.874) 44.129 2.533 ( 20.447 34.962 27.589) 49.006 3.681 ( 32.641 59.145 16.543) 69.551 5.236 ( 2.723 -26.999 13.874) 30.477 5.913 ( -0.943 -20.644 4.187) 21.086 6.702 ( 0.076 -1.028 1.086) 1.497 7.273 ( 0.274 4.692 18.361) 18.953 8.037 ( -2.296 -6.460 13.094) 14.780 8.134 ( -0.615 6.044 9.589) 11.352 8.351 ( -4.407 -0.255 -0.780) 4.483 8.600 ( -4.230 -3.361 5.506) 7.714 9.089 ( -9.549 -15.832 29.142) 34.512 11.469 ( 1.161 8.658 0.311) 8.742 12.635 ( 7.492 -8.120 -0.153) 11.050 12.920 ( 3.536 9.766 -6.401) 12.200 13.702 ( 0.742 14.109 -2.036) 14.275 14.206 ( -1.096 -6.536 -2.841) 7.210 14.950 ( -6.792 -9.845 -5.718) 13.257 ======================= Grid point 123 (45/270) ======================= q-point: ( 0.20 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 31.005 27.230 7.400) 41.923 3.028 ( 29.078 26.274 23.288) 45.588 4.454 ( 43.210 43.102 16.346) 63.183 5.290 ( 2.014 -21.627 14.586) 26.164 5.842 ( -7.316 -21.021 3.273) 22.497 6.724 ( 2.493 3.269 -1.027) 4.238 7.294 ( 2.202 3.867 18.390) 18.920 7.955 ( -5.880 0.679 10.768) 12.288 8.136 ( 0.768 -1.237 13.143) 13.223 8.232 ( -7.182 -4.241 -0.981) 8.398 8.517 ( -4.202 -0.828 7.115) 8.305 8.875 ( -11.644 -8.869 20.484) 25.176 11.519 ( 3.978 3.755 0.391) 5.485 12.658 ( -4.747 -4.070 -1.098) 6.349 13.078 ( 10.909 3.226 -5.833) 12.784 13.734 ( 2.577 10.635 -1.495) 11.045 14.173 ( -2.175 -3.213 -2.644) 4.695 14.763 ( -11.807 -10.639 -4.945) 16.644 ======================= Grid point 124 (46/270) ======================= q-point: ( 0.30 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 36.207 17.398 0.526) 40.174 3.639 ( 32.412 18.029 18.693) 41.533 5.230 ( 11.204 7.393 9.732) 16.580 5.330 ( 21.861 12.291 14.967) 29.206 5.623 ( -12.329 -18.775 4.500) 22.908 6.788 ( 3.165 6.213 -5.039) 8.603 7.368 ( 5.323 3.059 19.037) 20.002 7.821 ( -7.443 1.869 9.861) 12.495 8.086 ( -7.235 -7.375 -1.073) 10.387 8.160 ( 1.518 -3.539 13.775) 14.303 8.423 ( -5.700 -0.969 6.843) 8.959 8.650 ( -10.808 -4.922 17.946) 21.520 11.627 ( 7.121 0.076 0.413) 7.133 12.501 ( -10.462 -1.684 -1.467) 10.698 13.294 ( 10.814 -1.257 -4.271) 11.695 13.795 ( 3.225 6.656 -1.290) 7.508 14.123 ( -2.807 1.222 -2.351) 3.860 14.509 ( -13.397 -11.656 -3.982) 18.199 ======================= Grid point 125 (47/270) ======================= q-point: ( 0.40 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 34.288 8.966 -0.394) 35.443 4.265 ( 30.492 10.728 16.182) 36.148 5.036 ( -18.998 -3.849 5.678) 20.199 5.233 ( -19.148 -5.656 11.967) 23.277 6.075 ( 32.907 18.135 3.743) 37.760 6.802 ( -3.281 9.256 -7.682) 12.467 7.479 ( 5.050 3.045 18.927) 19.824 7.677 ( -6.890 1.131 10.643) 12.729 7.982 ( -1.955 -9.564 -0.525) 9.776 8.168 ( -2.874 -5.394 6.877) 9.201 8.313 ( -2.987 -1.639 13.423) 13.849 8.468 ( -7.528 -2.515 17.939) 19.616 11.798 ( 10.222 -2.174 0.212) 10.452 12.270 ( -12.630 -2.152 -0.980) 12.849 13.503 ( 10.617 -2.791 -2.901) 11.354 13.824 ( -1.716 2.761 -1.411) 3.544 14.079 ( -0.697 2.794 -2.216) 3.633 14.270 ( -10.177 -10.165 -3.187) 14.733 ======================= Grid point 126 (48/270) ======================= q-point: (-0.50 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.540 ( -28.884 2.304 0.296) 28.977 4.540 ( 28.884 2.304 0.296) 28.977 4.814 ( -23.941 2.554 16.082) 28.954 4.814 ( 23.941 2.554 16.082) 28.954 6.594 ( -18.883 13.838 -4.142) 23.774 6.594 ( 18.883 13.838 -4.142) 23.774 7.563 ( -4.518 1.357 14.469) 15.219 7.563 ( 4.518 1.357 14.469) 15.219 8.040 ( -6.954 -7.900 1.864) 10.688 8.040 ( 6.954 -7.900 1.864) 10.688 8.349 ( -4.713 -1.913 17.712) 18.428 8.349 ( 4.713 -1.913 17.712) 18.428 12.022 ( -12.356 -2.793 -0.298) 12.672 12.022 ( 12.356 -2.793 -0.298) 12.672 13.704 ( -9.345 -1.187 -1.907) 9.612 13.704 ( 9.345 -1.187 -1.907) 9.612 14.123 ( -4.946 -2.912 -2.543) 6.278 14.123 ( 4.946 -2.912 -2.543) 6.278 ======================= Grid point 132 (49/270) ======================= q-point: ( 0.00 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 0.000 32.920 34.366) 47.589 3.118 ( 0.000 42.606 16.900) 45.835 4.463 ( 0.000 42.945 10.008) 44.096 4.605 ( 0.000 -34.001 16.128) 37.633 5.540 ( 0.000 -13.949 5.488) 14.990 6.591 ( 0.000 -9.537 3.492) 10.156 7.384 ( 0.000 6.769 17.933) 19.168 7.856 ( 0.000 -9.914 14.103) 17.239 8.314 ( 0.000 6.234 4.466) 7.668 8.408 ( 0.000 -0.456 -1.116) 1.206 8.568 ( 0.000 -2.013 6.216) 6.534 8.898 ( 0.000 -11.392 23.279) 25.917 11.716 ( 0.000 14.382 0.012) 14.382 12.405 ( 0.000 -7.677 0.450) 7.690 13.093 ( 0.000 12.117 -4.450) 12.908 14.005 ( 0.000 -14.475 -2.564) 14.701 14.015 ( 0.000 17.448 -3.437) 17.783 14.824 ( 0.000 -10.751 -6.289) 12.456 ======================= Grid point 133 (50/270) ======================= q-point: ( 0.10 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 13.511 33.572 25.581) 44.317 3.232 ( 11.385 38.158 18.358) 43.848 4.650 ( 14.107 13.585 11.807) 22.869 4.677 ( 10.608 -11.571 14.955) 21.681 5.549 ( 0.789 -10.089 4.907) 11.246 6.627 ( 3.623 -7.664 2.982) 8.986 7.382 ( -0.062 6.720 17.848) 19.071 7.858 ( 0.070 -9.722 14.544) 17.494 8.282 ( -3.163 5.644 4.294) 7.765 8.331 ( -7.224 -1.114 -0.825) 7.356 8.551 ( -1.774 -1.181 7.151) 7.462 8.845 ( -5.143 -10.265 21.277) 24.177 11.692 ( -1.780 13.944 0.186) 14.059 12.462 ( 3.980 -10.392 0.064) 11.128 13.126 ( 3.370 12.295 -4.785) 13.617 13.984 ( -1.737 7.242 -2.637) 7.901 14.026 ( 0.765 -4.697 -2.919) 5.583 14.755 ( -6.926 -10.537 -5.937) 13.937 ======================= Grid point 134 (51/270) ======================= q-point: ( 0.20 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 24.104 31.189 11.056) 40.939 3.547 ( 20.056 28.847 19.876) 40.366 4.823 ( 8.904 -26.716 15.873) 32.326 5.089 ( 20.348 2.776 9.790) 22.751 5.587 ( 5.596 12.470 4.175) 14.291 6.732 ( 6.893 -3.296 0.924) 7.696 7.390 ( 1.240 6.286 17.877) 18.991 7.850 ( -1.165 -8.369 14.848) 17.084 8.155 ( -10.049 -2.970 -0.949) 10.522 8.202 ( -4.654 3.927 4.188) 7.391 8.496 ( -3.902 -1.039 8.566) 9.470 8.713 ( -7.801 -7.631 18.859) 21.789 11.672 ( 0.108 11.755 0.406) 11.762 12.494 ( -1.596 -12.053 -0.359) 12.163 13.217 ( 5.600 10.625 -5.132) 13.061 13.951 ( -1.224 10.154 -1.785) 10.382 14.044 ( 1.073 -9.064 -2.789) 9.544 14.563 ( -12.174 -9.845 -4.930) 16.414 ======================= Grid point 135 (52/270) ======================= q-point: ( 0.30 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 27.443 24.340 2.886) 36.795 3.991 ( 24.370 19.216 19.538) 36.673 4.974 ( 5.188 -18.025 16.632) 25.069 5.223 ( -5.327 -22.813 4.185) 23.798 5.932 ( 26.902 32.815 4.470) 42.667 6.876 ( 7.027 1.869 -3.777) 8.194 7.447 ( 4.819 5.139 18.679) 19.963 7.794 ( -4.822 -4.443 12.188) 13.840 7.951 ( -10.363 -5.289 -1.913) 11.791 8.122 ( -3.257 -2.044 5.189) 6.459 8.397 ( -6.013 -1.021 12.106) 13.556 8.558 ( -7.667 -4.497 18.136) 20.197 11.704 ( 3.331 7.911 0.555) 8.602 12.395 ( -8.086 -9.362 -0.474) 12.380 13.335 ( 6.367 5.990 -4.492) 9.829 13.939 ( -0.382 8.038 -1.221) 8.139 14.062 ( 0.599 -9.480 -2.780) 9.897 14.302 ( -13.473 -7.906 -3.433) 15.994 ======================= Grid point 136 (53/270) ======================= q-point: ( 0.40 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( 25.464 14.816 1.125) 29.482 4.464 ( 22.816 10.326 18.430) 31.094 4.946 ( -11.346 -5.860 7.975) 15.056 5.054 ( -8.017 -12.449 12.329) 19.268 6.467 ( 25.358 21.336 -1.685) 33.183 6.970 ( 1.353 7.412 -9.161) 11.861 7.561 ( 4.578 5.647 18.720) 20.082 7.674 ( -6.533 -1.479 8.677) 10.962 7.785 ( -3.832 -10.177 -1.144) 10.934 8.046 ( -5.951 -7.604 4.927) 10.840 8.298 ( -2.441 0.352 18.882) 19.042 8.421 ( -6.232 -2.547 18.097) 19.308 11.807 ( 7.192 3.296 0.537) 7.930 12.200 ( -11.162 -5.361 -0.199) 12.384 13.476 ( 8.278 0.663 -3.262) 8.922 13.875 ( -8.342 0.226 -2.064) 8.597 14.061 ( -0.342 -8.532 -2.377) 8.863 14.111 ( -4.023 -0.313 -1.730) 4.390 ======================= Grid point 137 (54/270) ======================= q-point: (-0.50 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.603 ( -21.203 4.034 1.887) 21.665 4.603 ( 21.203 4.034 1.887) 21.665 4.845 ( -15.158 0.610 17.897) 23.462 4.845 ( 15.158 0.610 17.897) 23.462 6.863 ( -13.509 13.647 -8.690) 21.077 6.863 ( 13.509 13.647 -8.690) 21.077 7.582 ( -1.744 0.202 9.872) 10.027 7.582 ( 1.744 0.202 9.872) 10.027 7.880 ( -9.581 -8.136 6.360) 14.087 7.880 ( 9.581 -8.136 6.360) 14.087 8.319 ( -3.784 -1.197 19.311) 19.715 8.319 ( 3.784 -1.197 19.311) 19.715 11.982 ( -10.427 -1.222 0.250) 10.501 11.982 ( 10.427 -1.222 0.250) 10.501 13.665 ( -10.949 -2.859 -2.461) 11.580 13.665 ( 10.949 -2.859 -2.461) 11.580 14.074 ( -1.242 -1.982 -1.758) 2.925 14.074 ( 1.242 -1.982 -1.758) 2.925 ======================= Grid point 143 (55/270) ======================= q-point: ( 0.00 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 0.000 35.732 25.775) 44.058 3.856 ( 0.000 13.360 12.566) 18.341 3.972 ( 0.000 -11.023 20.370) 23.162 4.542 ( 0.000 -26.219 10.849) 28.375 5.785 ( 0.000 31.337 5.210) 31.767 6.307 ( 0.000 -21.339 4.641) 21.837 7.523 ( 0.000 7.838 16.748) 18.491 7.680 ( 0.000 -8.737 15.105) 17.450 8.363 ( 0.000 0.462 -0.821) 0.942 8.382 ( 0.000 -1.685 -1.256) 2.102 8.610 ( 0.000 5.321 13.119) 14.157 8.729 ( 0.000 -7.152 17.070) 18.508 11.988 ( 0.000 13.817 -0.057) 13.817 12.227 ( 0.000 -11.153 0.144) 11.154 13.362 ( 0.000 16.206 -3.559) 16.592 13.691 ( 0.000 -17.830 -2.872) 18.059 14.334 ( 0.000 15.766 -4.657) 16.439 14.604 ( 0.000 -12.757 -5.739) 13.989 ======================= Grid point 144 (56/270) ======================= q-point: ( 0.10 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 12.289 34.584 22.300) 42.946 3.927 ( 6.860 23.256 11.884) 27.003 4.053 ( 8.407 -21.097 19.847) 30.161 4.590 ( 4.526 -28.122 10.375) 30.315 5.880 ( 9.420 31.312 5.198) 33.109 6.377 ( 6.901 -19.563 4.339) 21.193 7.522 ( -0.023 7.964 16.886) 18.670 7.682 ( 0.193 -8.851 15.541) 17.885 8.304 ( -6.022 0.606 -1.349) 6.201 8.334 ( -4.629 -1.421 -1.538) 5.081 8.583 ( -2.643 4.426 13.570) 14.516 8.689 ( -3.802 -6.605 16.972) 18.604 11.970 ( -1.558 14.875 0.029) 14.957 12.238 ( 0.660 -13.134 0.006) 13.151 13.393 ( 2.932 15.827 -3.767) 16.531 13.712 ( 2.014 -17.177 -2.948) 17.544 14.293 ( -4.022 14.642 -4.210) 15.757 14.545 ( -5.908 -11.984 -5.304) 14.376 ======================= Grid point 145 (57/270) ======================= q-point: ( 0.20 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( 20.002 31.247 14.833) 39.956 4.110 ( 11.522 28.071 12.523) 32.826 4.288 ( 14.657 -27.174 17.303) 35.393 4.697 ( 5.650 -29.060 8.913) 30.917 6.134 ( 15.904 29.379 4.330) 33.687 6.563 ( 11.522 -15.423 2.719) 19.442 7.527 ( 0.690 7.989 17.339) 19.103 7.687 ( 0.244 -8.690 16.421) 18.580 8.142 ( -10.037 2.033 -2.098) 10.454 8.208 ( -8.014 -3.306 -2.856) 9.127 8.512 ( -4.466 3.125 14.942) 15.906 8.594 ( -5.565 -5.171 16.949) 18.574 11.936 ( -1.753 15.400 0.207) 15.500 12.231 ( -1.722 -15.203 -0.058) 15.300 13.462 ( 3.566 14.837 -4.227) 15.834 13.761 ( 2.711 -16.040 -3.218) 16.583 14.191 ( -5.826 11.247 -3.002) 13.017 14.386 ( -9.711 -9.434 -4.019) 14.123 ======================= Grid point 146 (58/270) ======================= q-point: ( 0.30 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( 20.371 26.174 7.660) 34.040 4.368 ( 14.462 20.342 14.892) 29.064 4.584 ( 14.303 -22.753 15.216) 30.884 4.785 ( 2.819 -22.715 7.458) 24.074 6.478 ( 18.421 23.755 0.892) 30.074 6.805 ( 12.544 -10.385 -1.552) 16.359 7.558 ( 2.624 6.422 17.813) 19.116 7.684 ( -0.917 -6.634 15.483) 16.870 7.927 ( -11.528 3.121 -2.781) 12.262 8.036 ( -8.925 -6.640 -2.442) 11.389 8.414 ( -5.217 2.756 17.453) 18.423 8.480 ( -5.877 -3.832 17.431) 18.789 11.909 ( -0.760 13.048 0.439) 13.078 12.170 ( -4.386 -13.640 0.125) 14.329 13.517 ( 1.904 12.788 -4.308) 13.628 13.797 ( 0.011 -15.909 -3.776) 16.351 14.085 ( -4.446 6.967 -1.580) 8.414 14.198 ( -8.308 -4.976 -2.152) 9.920 ======================= Grid point 147 (59/270) ======================= q-point: ( 0.40 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.451 ( 14.453 17.135 3.482) 22.685 4.653 ( 13.371 9.319 17.419) 23.855 4.770 ( 0.004 -15.257 4.535) 15.917 4.824 ( 4.587 -8.592 17.255) 19.814 6.829 ( 16.574 15.873 -5.431) 23.583 7.024 ( 8.681 -3.487 -8.102) 12.376 7.622 ( 1.435 -2.351 9.531) 9.921 7.630 ( -4.541 -2.472 6.868) 8.597 7.717 ( -6.902 7.259 6.387) 11.880 7.884 ( -6.204 -9.215 6.478) 12.859 8.324 ( -3.357 2.182 20.046) 20.442 8.371 ( -4.909 -2.630 18.923) 19.726 11.915 ( 1.548 7.603 0.610) 7.783 12.070 ( -5.415 -8.046 0.393) 9.706 13.548 ( 1.942 7.135 -3.533) 8.195 13.733 ( -6.025 -11.419 -3.593) 13.401 14.037 ( -0.334 2.971 -0.911) 3.126 14.090 ( -3.016 -2.126 -1.202) 3.881 ======================= Grid point 148 (60/270) ======================= q-point: (-0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.672 ( -8.253 2.516 3.011) 9.139 4.672 ( 8.253 2.516 3.011) 9.139 4.842 ( -4.561 -0.568 18.403) 18.968 4.842 ( 4.561 -0.568 18.403) 18.968 7.072 ( -5.855 7.051 -11.382) 14.613 7.072 ( 5.855 7.051 -11.382) 14.613 7.556 ( -0.131 -2.346 -0.909) 2.519 7.556 ( 0.131 -2.346 -0.909) 2.519 7.772 ( -5.798 -2.609 17.187) 18.325 7.772 ( 5.798 -2.609 17.187) 18.325 8.304 ( -1.478 -0.398 20.535) 20.592 8.304 ( 1.478 -0.398 20.535) 20.592 11.972 ( -4.190 -0.088 0.593) 4.233 11.972 ( 4.190 -0.088 0.593) 4.233 13.614 ( -5.035 -1.817 -2.979) 6.126 13.614 ( 5.035 -1.817 -2.979) 6.126 14.052 ( -1.356 -0.482 -1.094) 1.807 14.052 ( 1.356 -0.482 -1.094) 1.807 ======================= Grid point 198 (61/270) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 0.000 36.042) 36.042 2.187 ( 0.000 0.000 49.423) 49.423 3.007 ( 0.000 0.000 68.663) 68.663 6.228 ( 0.000 0.000 22.874) 22.874 6.430 ( 0.000 0.000 6.798) 6.798 6.670 ( 0.000 0.000 -2.963) 2.963 7.707 ( 0.000 0.000 30.714) 30.714 8.093 ( 0.000 0.000 11.294) 11.294 8.435 ( 0.000 0.000 1.887) 1.887 8.542 ( 0.000 0.000 15.045) 15.045 8.841 ( 0.000 0.000 5.262) 5.262 11.236 ( 0.000 0.000 1.445) 1.445 11.490 ( 0.000 0.000 -0.593) 0.593 11.964 ( 0.000 0.000 0.269) 0.269 12.754 ( 0.000 0.000 0.649) 0.649 13.335 ( 0.000 0.000 -2.429) 2.429 14.220 ( 0.000 0.000 -6.648) 6.648 15.078 ( 0.000 0.000 -9.619) 9.619 ======================= Grid point 199 (62/270) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 26.392 0.000 29.399) 39.508 2.080 ( 1.399 0.000 43.764) 43.787 3.536 ( 41.662 0.000 59.116) 72.322 6.213 ( -1.896 0.000 22.762) 22.841 6.464 ( 3.292 0.000 5.535) 6.440 6.599 ( -7.300 0.000 -2.466) 7.705 7.711 ( 0.553 0.000 30.061) 30.066 8.079 ( -1.405 0.000 11.428) 11.514 8.417 ( -1.817 0.000 2.614) 3.184 8.549 ( 0.748 0.000 14.958) 14.977 8.798 ( -4.128 0.000 6.385) 7.603 10.517 ( -45.889 0.000 25.783) 52.636 11.521 ( 3.142 0.000 -0.553) 3.191 12.335 ( 15.119 0.000 -11.666) 19.096 12.807 ( 6.893 0.000 -0.275) 6.899 13.373 ( 3.834 0.000 -2.346) 4.495 14.185 ( -3.479 0.000 -6.280) 7.179 15.021 ( -5.640 0.000 -9.246) 10.831 ======================= Grid point 200 (63/270) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 30.028 0.000 21.765) 37.086 2.474 ( 36.983 0.000 19.455) 41.788 4.398 ( 43.532 0.000 46.735) 63.868 6.127 ( -7.722 0.000 21.367) 22.720 6.385 ( -14.329 0.000 -0.695) 14.346 6.543 ( 4.263 0.000 3.118) 5.281 7.742 ( 2.981 0.000 28.688) 28.842 8.040 ( -2.459 0.000 11.798) 12.052 8.362 ( -3.846 0.000 3.631) 5.289 8.574 ( 1.830 0.000 15.717) 15.823 8.695 ( -5.995 0.000 8.114) 10.089 9.761 ( -30.528 0.000 33.102) 45.030 11.610 ( 5.796 0.000 -0.497) 5.818 12.435 ( -1.576 0.000 -7.869) 8.025 13.023 ( 13.145 0.000 -4.528) 13.903 13.480 ( 6.820 0.000 -2.365) 7.218 14.090 ( -5.958 0.000 -5.328) 7.993 14.865 ( -10.064 0.000 -8.258) 13.018 ======================= Grid point 201 (64/270) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 41.837 0.000 6.615) 42.357 3.227 ( 38.816 0.000 12.069) 40.649 5.157 ( 30.536 0.000 31.128) 43.605 5.885 ( -17.318 0.000 17.548) 24.655 6.069 ( -15.273 0.000 4.624) 15.957 6.611 ( 2.070 0.000 2.021) 2.892 7.830 ( 5.614 0.000 27.958) 28.517 7.987 ( -2.725 0.000 12.692) 12.981 8.271 ( -5.063 0.000 3.655) 6.244 8.567 ( -7.074 0.000 8.883) 11.356 8.623 ( 3.274 0.000 17.875) 18.173 9.290 ( -18.497 0.000 30.763) 35.895 11.743 ( 7.653 0.000 -0.603) 7.677 12.355 ( -5.700 0.000 -5.031) 7.603 13.277 ( 12.330 0.000 -4.784) 13.225 13.637 ( 9.270 0.000 -2.992) 9.741 13.960 ( -7.096 0.000 -4.174) 8.233 14.638 ( -12.728 0.000 -7.010) 14.531 ======================= Grid point 202 (65/270) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( 40.541 0.000 1.600) 40.572 3.969 ( 36.119 0.000 6.399) 36.682 5.290 ( -17.926 0.000 7.538) 19.446 5.449 ( -26.573 0.000 12.690) 29.448 6.081 ( 17.630 0.000 18.749) 25.736 6.598 ( -4.094 0.000 4.044) 5.755 7.932 ( 3.414 0.000 28.233) 28.438 7.944 ( -1.323 0.000 15.213) 15.270 8.196 ( -1.000 0.000 2.375) 2.576 8.418 ( -8.002 0.000 8.941) 11.999 8.705 ( 5.041 0.000 20.841) 21.442 9.004 ( -11.337 0.000 27.534) 29.776 11.903 ( 8.512 0.000 -1.085) 8.580 12.225 ( -7.384 0.000 -3.326) 8.098 13.496 ( 9.831 0.000 -3.535) 10.447 13.817 ( -7.406 0.000 -3.240) 8.084 13.846 ( 12.052 0.000 -4.193) 12.761 14.375 ( -13.862 0.000 -5.914) 15.071 ======================= Grid point 203 (66/270) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( -4.599 0.000 -0.891) 4.685 4.521 ( 4.599 0.000 -0.891) 4.685 4.959 ( -8.040 0.000 11.530) 14.056 4.959 ( 8.040 0.000 11.530) 14.056 6.425 ( -13.951 0.000 10.855) 17.677 6.425 ( 13.951 0.000 10.855) 17.677 7.942 ( -0.862 0.000 20.985) 21.002 7.942 ( 0.862 0.000 20.985) 21.002 8.266 ( -6.912 0.000 6.964) 9.812 8.266 ( 6.912 0.000 6.964) 9.812 8.825 ( -7.353 0.000 24.147) 25.241 8.825 ( 7.353 0.000 24.147) 25.241 12.070 ( -8.339 0.000 -2.019) 8.580 12.070 ( 8.339 0.000 -2.019) 8.580 13.668 ( -7.956 0.000 -2.900) 8.469 13.668 ( 7.956 0.000 -2.900) 8.469 14.102 ( -13.754 0.000 -5.112) 14.673 14.102 ( 13.754 0.000 -5.112) 14.673 ======================= Grid point 209 (67/270) ======================= q-point: ( 0.00 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.000 49.093 26.149) 55.623 2.403 ( 0.000 21.425 44.386) 49.286 3.156 ( 0.000 17.944 64.190) 66.651 6.019 ( 0.000 -19.180 20.108) 27.789 6.333 ( 0.000 -10.043 7.402) 12.476 6.731 ( 0.000 4.001 1.534) 4.285 7.721 ( 0.000 1.616 29.908) 29.952 8.173 ( 0.000 7.470 10.839) 13.164 8.392 ( 0.000 -5.225 -0.005) 5.225 8.529 ( 0.000 -0.422 17.219) 17.224 8.814 ( 0.000 -2.570 6.173) 6.687 10.734 ( 0.000 -49.316 23.945) 54.822 11.298 ( 0.000 6.466 1.241) 6.583 12.344 ( 0.000 17.598 -7.478) 19.121 12.732 ( 0.000 -1.673 -0.379) 1.715 13.415 ( 0.000 8.283 -2.611) 8.685 14.205 ( 0.000 -1.807 -6.271) 6.527 15.011 ( 0.000 -6.782 -10.030) 12.108 ======================= Grid point 210 (68/270) ======================= q-point: ( 0.10 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -0.901 25.969 37.359) 45.507 2.381 ( 17.712 35.979 27.444) 48.594 3.690 ( 41.181 17.295 54.559) 70.510 6.021 ( -0.186 -17.589 20.016) 26.647 6.342 ( 0.287 -11.828 6.575) 13.536 6.682 ( -4.549 5.646 1.485) 7.401 7.721 ( 0.240 1.327 29.183) 29.214 8.152 ( -2.132 6.688 10.887) 12.954 8.378 ( -1.625 -4.695 0.421) 4.986 8.530 ( 0.299 -1.225 17.415) 17.461 8.778 ( -3.398 -1.780 7.391) 8.328 10.268 ( -33.644 -24.117 31.108) 51.781 11.416 ( 6.607 -3.205 0.461) 7.358 12.507 ( 8.700 12.770 -11.450) 19.232 12.762 ( 5.491 -4.458 0.335) 7.081 13.446 ( 3.179 7.563 -2.457) 8.564 14.179 ( -2.707 -1.026 -6.022) 6.682 14.954 ( -5.674 -6.853 -9.605) 13.092 ======================= Grid point 211 (69/270) ======================= q-point: ( 0.20 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 25.075 12.738 22.418) 35.967 2.888 ( 31.271 31.437 18.142) 47.909 4.533 ( 42.293 14.670 42.971) 62.051 5.979 ( -5.194 -13.143 17.958) 22.852 6.291 ( -7.261 -12.466 8.595) 16.793 6.599 ( -2.176 6.473 -0.823) 6.878 7.744 ( 2.490 0.501 27.454) 27.571 8.092 ( -3.780 4.579 11.154) 12.636 8.321 ( -4.176 -4.451 2.051) 6.439 8.544 ( 0.909 -2.814 16.802) 17.060 8.698 ( -4.275 0.522 10.221) 11.091 9.670 ( -25.808 -9.116 33.179) 43.012 11.541 ( 6.636 -4.339 0.190) 7.931 12.525 ( -4.251 7.309 -7.391) 11.231 12.981 ( 13.775 -3.876 -4.422) 14.978 13.535 ( 5.695 5.822 -2.349) 8.477 14.103 ( -4.797 0.930 -5.244) 7.168 14.797 ( -10.042 -6.967 -8.483) 14.877 ======================= Grid point 212 (70/270) ======================= q-point: ( 0.30 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 37.988 4.520 8.618) 39.215 3.554 ( 35.731 23.946 12.146) 44.695 5.252 ( 25.979 9.944 26.542) 38.448 5.806 ( -9.995 -6.466 15.936) 19.891 6.059 ( -14.266 -4.275 13.476) 20.085 6.602 ( 1.199 0.863 -2.535) 2.934 7.823 ( 5.183 -0.377 25.488) 26.012 8.014 ( -3.766 2.179 12.881) 13.596 8.221 ( -5.560 -5.237 2.889) 8.166 8.526 ( -4.173 -3.633 11.548) 12.805 8.651 ( 0.814 2.454 17.964) 18.149 9.257 ( -16.789 -3.418 30.633) 35.099 11.686 ( 8.208 -4.380 0.017) 9.303 12.404 ( -7.608 3.849 -4.888) 9.828 13.246 ( 12.930 -3.155 -4.878) 14.175 13.661 ( 6.808 2.990 -2.710) 7.914 14.000 ( -5.417 3.445 -4.261) 7.705 14.574 ( -12.389 -6.753 -7.092) 15.792 ======================= Grid point 213 (71/270) ======================= q-point: ( 0.40 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 38.034 -0.196 3.060) 38.157 4.254 ( 34.285 18.153 7.824) 39.576 5.210 ( -21.758 -5.095 6.174) 23.183 5.560 ( -23.091 7.423 16.317) 29.232 6.108 ( 19.914 3.161 17.622) 26.778 6.597 ( -2.854 0.510 0.385) 2.925 7.903 ( 1.515 -2.045 18.149) 18.326 7.968 ( -1.053 1.279 22.431) 22.492 8.144 ( -0.135 -5.383 2.243) 5.833 8.400 ( -7.808 -1.881 10.283) 13.048 8.710 ( 4.503 0.770 22.237) 22.702 8.992 ( -10.704 -1.231 27.841) 29.853 11.860 ( 9.453 -3.641 -0.539) 10.144 12.238 ( -9.146 0.794 -3.122) 9.697 13.481 ( 10.884 -1.874 -3.713) 11.651 13.762 ( 0.547 -1.359 -3.057) 3.389 13.935 ( 1.885 5.114 -4.042) 6.786 14.324 ( -12.739 -5.380 -5.919) 15.042 ======================= Grid point 214 (72/270) ======================= q-point: (-0.50 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( -25.003 0.843 0.081) 25.018 4.523 ( 25.003 0.843 0.081) 25.018 5.043 ( -23.863 7.786 13.684) 28.589 5.043 ( 23.863 7.786 13.684) 28.589 6.451 ( -12.718 2.864 7.789) 15.186 6.451 ( 12.718 2.864 7.789) 15.186 7.927 ( -2.143 -1.929 18.058) 18.287 7.927 ( 2.143 -1.929 18.058) 18.287 8.240 ( -7.849 -2.373 9.209) 12.331 8.240 ( 7.849 -2.373 9.209) 12.331 8.822 ( -6.973 -0.208 25.021) 25.975 8.822 ( 6.973 -0.208 25.021) 25.975 12.051 ( -9.776 -1.857 -1.626) 10.083 12.051 ( 9.776 -1.857 -1.626) 10.083 13.667 ( -7.891 -0.228 -2.859) 8.396 13.667 ( 7.891 -0.228 -2.859) 8.396 14.087 ( -11.012 -1.562 -5.047) 12.214 14.087 ( 11.012 -1.562 -5.047) 12.214 ======================= Grid point 220 (73/270) ======================= q-point: ( 0.00 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 0.000 28.585 36.386) 46.271 2.931 ( 0.000 32.583 35.055) 47.859 3.831 ( 0.000 51.731 37.692) 64.006 5.575 ( 0.000 -26.587 20.761) 33.732 6.060 ( 0.000 -18.193 9.009) 20.301 6.774 ( 0.000 -0.000 5.497) 5.497 7.772 ( 0.000 3.721 28.131) 28.376 8.250 ( 0.000 -8.651 2.643) 9.045 8.322 ( 0.000 6.723 7.785) 10.286 8.532 ( 0.000 0.281 15.387) 15.390 8.769 ( 0.000 -1.091 10.248) 10.306 9.944 ( 0.000 -32.958 32.494) 46.283 11.472 ( 0.000 11.522 0.744) 11.546 12.517 ( 0.000 0.128 -0.066) 0.144 12.757 ( 0.000 6.741 -7.536) 10.111 13.634 ( 0.000 14.180 -3.521) 14.611 14.130 ( 0.000 -6.838 -5.360) 8.688 14.841 ( 0.000 -10.402 -10.951) 15.104 ======================= Grid point 221 (74/270) ======================= q-point: ( 0.10 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -5.153 30.299 34.928) 46.525 3.127 ( 14.247 35.596 26.474) 46.593 4.242 ( 33.948 40.294 37.703) 64.789 5.610 ( 3.266 -24.921 20.937) 32.712 6.041 ( -2.389 -19.223 7.979) 20.950 6.760 ( -1.230 2.024 5.062) 5.589 7.767 ( -0.378 3.489 27.348) 27.572 8.227 ( -2.698 -6.122 2.703) 7.216 8.304 ( -1.907 3.920 6.767) 8.050 8.506 ( -2.214 -1.873 16.332) 16.588 8.756 ( -1.158 0.464 11.927) 11.992 9.774 ( -14.996 -24.526 32.821) 43.631 11.480 ( 1.241 8.627 0.787) 8.751 12.638 ( 8.087 -6.866 0.448) 10.618 12.748 ( 0.978 11.125 -9.808) 14.863 13.647 ( 1.428 13.052 -3.119) 13.495 14.122 ( -0.883 -5.772 -5.215) 7.829 14.782 ( -5.933 -10.559 -10.404) 15.966 ======================= Grid point 222 (75/270) ======================= q-point: ( 0.20 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 16.368 27.096 20.968) 37.970 3.503 ( 23.571 30.872 21.424) 44.359 4.962 ( 36.727 29.563 31.906) 56.928 5.674 ( 1.778 -18.782 20.302) 27.714 5.954 ( -6.181 -21.328 8.366) 23.729 6.730 ( -1.862 6.116 2.103) 6.730 7.771 ( 1.258 2.466 24.965) 25.119 8.141 ( -5.772 -3.423 3.320) 7.487 8.235 ( -5.383 -0.714 6.323) 8.334 8.471 ( -1.127 -5.009 16.519) 17.298 8.730 ( -1.395 3.021 15.827) 16.173 9.452 ( -16.235 -12.752 31.785) 37.901 11.531 ( 4.059 4.039 0.850) 5.789 12.614 ( -6.367 -0.638 -3.711) 7.397 12.934 ( 12.928 1.566 -6.924) 14.749 13.692 ( 3.051 10.266 -2.497) 10.997 14.096 ( -1.731 -2.730 -4.771) 5.764 14.618 ( -10.385 -11.052 -8.951) 17.611 ======================= Grid point 223 (76/270) ======================= q-point: ( 0.30 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 30.139 18.384 9.160) 36.473 4.025 ( 28.988 24.150 17.531) 41.604 5.462 ( -3.528 4.667 10.433) 11.962 5.741 ( 20.672 6.516 22.165) 31.001 5.842 ( -5.431 -17.672 20.155) 27.350 6.688 ( -2.159 7.424 -4.466) 8.929 7.825 ( 3.812 0.727 20.382) 20.748 8.024 ( -5.012 -4.118 5.482) 8.493 8.103 ( -7.566 -4.045 8.785) 12.279 8.442 ( -2.580 -5.104 13.978) 15.103 8.712 ( -0.006 3.903 21.139) 21.496 9.168 ( -12.530 -5.701 30.101) 33.099 11.640 ( 7.002 0.547 0.819) 7.071 12.451 ( -9.913 0.075 -3.556) 10.532 13.184 ( 12.489 -2.133 -5.708) 13.896 13.757 ( 3.152 6.858 -2.382) 7.914 14.055 ( -2.326 1.400 -4.135) 4.946 14.393 ( -12.011 -11.651 -7.166) 18.203 ======================= Grid point 224 (77/270) ======================= q-point: ( 0.40 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.953 ( 32.826 10.001 3.766) 34.522 4.607 ( 28.887 17.950 15.057) 37.193 5.130 ( -22.364 -3.594 4.740) 23.141 5.630 ( -16.640 -1.645 23.911) 29.178 6.226 ( 21.568 10.017 11.331) 26.342 6.650 ( -2.427 5.507 -6.279) 8.697 7.848 ( -1.604 -4.116 8.932) 9.964 7.955 ( -7.008 -6.172 9.817) 13.549 8.035 ( 6.547 -1.934 16.732) 18.071 8.352 ( -6.589 -3.025 13.698) 15.498 8.740 ( 2.838 2.352 25.110) 25.379 8.961 ( -8.692 -1.942 28.662) 30.014 11.804 ( 9.646 -1.484 0.375) 9.767 12.238 ( -11.491 -1.012 -2.190) 11.741 13.426 ( 12.095 -3.395 -4.302) 13.278 13.782 ( -2.046 2.800 -2.670) 4.376 14.017 ( -0.803 3.303 -3.726) 5.044 14.177 ( -9.105 -9.751 -5.699) 14.508 ======================= Grid point 225 (78/270) ======================= q-point: (-0.50 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.569 ( -28.900 4.046 1.961) 29.248 4.569 ( 28.900 4.046 1.961) 29.248 5.203 ( -25.512 7.874 19.731) 33.199 5.203 ( 25.512 7.874 19.731) 33.199 6.539 ( -10.190 6.533 0.123) 12.105 6.539 ( 10.190 6.533 0.123) 12.105 7.852 ( -2.883 -6.343 9.556) 11.826 7.852 ( 2.883 -6.343 9.556) 11.826 8.197 ( -8.756 -1.660 15.912) 18.238 8.197 ( 8.756 -1.660 15.912) 18.238 8.822 ( -5.554 0.350 27.132) 27.696 8.822 ( 5.554 0.350 27.132) 27.696 12.012 ( -11.319 -1.890 -0.688) 11.496 12.012 ( 11.319 -1.890 -0.688) 11.496 13.651 ( -10.247 -1.790 -3.193) 10.881 13.651 ( 10.247 -1.790 -3.193) 10.881 14.050 ( -4.067 -1.980 -4.417) 6.322 14.050 ( 4.067 -1.980 -4.417) 6.322 ======================= Grid point 231 (79/270) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 0.000 24.768 39.434) 46.567 3.585 ( 0.000 35.371 27.078) 44.546 4.796 ( 0.000 40.335 23.104) 46.484 5.040 ( 0.000 -29.351 24.391) 38.163 5.707 ( 0.000 -13.777 10.482) 17.311 6.711 ( 0.000 -7.291 8.431) 11.147 7.850 ( 0.000 4.049 24.310) 24.645 8.094 ( 0.000 -7.353 5.593) 9.238 8.389 ( 0.000 0.809 4.189) 4.267 8.522 ( 0.000 -1.606 13.900) 13.993 8.814 ( 0.000 5.905 16.913) 17.914 9.458 ( 0.000 -19.591 28.963) 34.967 11.719 ( 0.000 14.091 0.266) 14.093 12.424 ( 0.000 -8.122 1.435) 8.248 12.958 ( 0.000 13.287 -8.532) 15.790 13.924 ( 0.000 15.693 -5.161) 16.520 13.926 ( 0.000 -14.688 -5.112) 15.552 14.643 ( 0.000 -10.271 -10.981) 15.036 ======================= Grid point 232 (80/270) ======================= q-point: ( 0.10 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( -1.655 31.698 31.266) 44.554 3.731 ( 12.099 30.195 27.455) 42.566 5.006 ( 17.797 25.293 23.836) 39.047 5.106 ( 7.445 -24.569 24.364) 35.393 5.698 ( -0.804 -9.094 9.373) 13.084 6.737 ( 2.441 -5.260 8.023) 9.899 7.844 ( -0.556 4.194 23.690) 24.064 8.086 ( -1.257 -6.832 3.862) 7.948 8.355 ( -3.233 0.113 4.393) 5.456 8.461 ( -5.637 -2.423 15.531) 16.699 8.816 ( -0.045 5.539 17.899) 18.737 9.384 ( -6.901 -16.760 28.911) 34.123 11.699 ( -1.427 13.667 0.551) 13.752 12.468 ( 3.062 -10.550 0.655) 11.005 12.983 ( 2.724 13.711 -8.920) 16.582 13.910 ( -0.718 9.405 -4.281) 10.358 13.940 ( 0.879 -8.828 -5.321) 10.345 14.584 ( -5.831 -9.906 -10.281) 15.422 ======================= Grid point 233 (81/270) ======================= q-point: ( 0.20 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 11.322 32.700 19.297) 39.621 4.032 ( 18.450 25.542 24.644) 40.001 5.244 ( 9.868 -23.808 23.299) 34.742 5.386 ( 9.296 -12.198 17.723) 23.438 5.740 ( 10.536 21.551 12.041) 26.841 6.794 ( 2.881 -0.376 5.605) 6.313 7.835 ( -0.045 4.040 20.945) 21.331 8.020 ( -5.813 -6.024 -0.599) 8.393 8.254 ( -7.865 0.114 7.489) 10.861 8.360 ( -2.811 -6.223 17.961) 19.215 8.808 ( -0.748 4.952 20.491) 21.094 9.221 ( -8.923 -11.081 28.792) 32.115 11.685 ( 0.365 11.580 0.894) 11.620 12.484 ( -2.273 -11.294 -0.628) 11.538 13.070 ( 6.044 11.344 -8.805) 15.580 13.902 ( -0.051 10.512 -2.915) 10.908 13.960 ( 1.073 -11.324 -5.379) 12.582 14.424 ( -10.170 -8.656 -8.301) 15.724 ======================= Grid point 234 (82/270) ======================= q-point: ( 0.30 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.754 ( 21.456 26.345 9.707) 35.336 4.442 ( 22.934 19.884 22.420) 37.736 5.324 ( -10.231 -15.484 7.650) 20.074 5.435 ( 7.988 -21.827 23.929) 33.359 6.113 ( 21.331 24.809 13.912) 35.554 6.825 ( -0.207 5.254 -0.869) 5.329 7.844 ( 0.173 0.763 11.779) 11.805 7.874 ( -8.115 -7.852 -2.277) 11.519 8.086 ( -7.207 0.042 17.416) 18.848 8.334 ( -1.051 -6.316 16.981) 18.148 8.791 ( -0.677 4.268 24.163) 24.547 9.055 ( -7.743 -5.877 29.055) 30.638 11.721 ( 3.431 7.914 1.084) 8.693 12.378 ( -8.022 -7.863 -1.216) 11.299 13.210 ( 8.069 5.501 -7.186) 12.125 13.900 ( -0.826 7.289 -2.737) 7.830 13.979 ( 0.833 -11.127 -5.124) 12.278 14.209 ( -10.746 -5.274 -5.333) 13.105 ======================= Grid point 235 (83/270) ======================= q-point: ( 0.40 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( 24.062 16.575 5.021) 29.647 4.905 ( 23.333 13.151 22.502) 34.981 5.050 ( -17.071 -5.676 4.463) 18.535 5.505 ( -2.475 -10.023 27.397) 29.278 6.475 ( 14.906 15.099 3.408) 21.489 6.790 ( -3.014 8.066 -8.134) 11.845 7.728 ( -5.486 -8.756 -0.132) 10.333 7.786 ( -6.000 -8.545 1.259) 10.517 8.063 ( 4.564 3.022 25.586) 26.165 8.289 ( -3.816 -3.575 17.699) 18.455 8.792 ( 0.981 2.936 27.657) 27.830 8.923 ( -5.653 -1.972 29.580) 30.179 11.823 ( 6.930 3.603 0.959) 7.870 12.191 ( -10.469 -4.109 -0.661) 11.266 13.385 ( 9.818 -0.033 -5.244) 11.131 13.809 ( -9.241 -3.468 -4.467) 10.834 13.998 ( 1.217 -4.872 -3.562) 6.157 14.062 ( -3.490 0.670 -2.889) 4.580 ======================= Grid point 236 (84/270) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.666 ( -21.735 5.695 3.789) 22.786 4.666 ( 21.735 5.695 3.789) 22.786 5.312 ( -16.622 3.341 25.683) 30.774 5.312 ( 16.622 3.341 25.683) 30.774 6.694 ( -7.562 9.365 -6.950) 13.900 6.694 ( 7.562 9.365 -6.950) 13.900 7.692 ( -2.111 -9.815 2.154) 10.268 7.692 ( 2.111 -9.815 2.154) 10.268 8.184 ( -6.511 0.158 20.884) 21.876 8.184 ( 6.511 0.158 20.884) 21.876 8.834 ( -3.344 0.838 29.409) 29.611 8.834 ( 3.344 0.838 29.409) 29.611 11.989 ( -9.751 -0.473 0.314) 9.767 11.989 ( 9.751 -0.473 0.314) 9.767 13.594 ( -11.338 -3.887 -4.298) 12.733 13.594 ( 11.338 -3.887 -4.298) 12.733 14.024 ( -1.387 -0.669 -2.969) 3.345 14.024 ( 1.387 -0.669 -2.969) 3.345 ======================= Grid point 242 (85/270) ======================= q-point: ( 0.00 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( 0.000 27.276 33.775) 43.414 4.208 ( 0.000 22.338 20.927) 30.610 4.515 ( 0.000 -18.141 30.158) 35.194 4.867 ( 0.000 -24.165 20.384) 31.614 5.958 ( 0.000 31.175 11.986) 33.400 6.463 ( 0.000 -19.855 10.725) 22.567 7.915 ( 0.000 2.972 16.632) 16.895 7.981 ( 0.000 -4.514 9.541) 10.555 8.408 ( 0.000 2.231 8.039) 8.343 8.470 ( 0.000 -3.602 12.338) 12.853 8.963 ( 0.000 9.171 20.428) 22.392 9.163 ( 0.000 -12.401 24.120) 27.121 11.988 ( 0.000 13.941 0.156) 13.942 12.234 ( 0.000 -11.713 0.607) 11.729 13.250 ( 0.000 17.359 -7.373) 18.860 13.599 ( 0.000 -18.811 -6.114) 19.779 14.207 ( 0.000 13.881 -7.228) 15.650 14.444 ( 0.000 -11.177 -9.387) 14.596 ======================= Grid point 243 (86/270) ======================= q-point: ( 0.10 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 3.787 30.448 28.853) 42.118 4.275 ( 6.831 20.522 20.899) 30.076 4.573 ( 5.825 -19.974 28.621) 35.384 4.902 ( 3.206 -25.751 19.524) 32.474 6.055 ( 9.380 30.636 12.238) 34.298 6.526 ( 6.091 -17.792 10.481) 21.529 7.914 ( -0.157 3.261 15.825) 16.158 7.982 ( -0.177 -4.303 8.260) 9.316 8.356 ( -5.049 1.380 8.673) 10.130 8.408 ( -6.088 -3.286 13.082) 14.799 8.948 ( -1.438 8.098 21.172) 22.714 9.125 ( -3.516 -11.037 24.504) 27.104 11.973 ( -1.353 14.745 0.300) 14.810 12.241 ( 0.370 -13.270 0.345) 13.280 13.275 ( 2.401 17.103 -7.681) 18.902 13.618 ( 1.752 -18.376 -6.278) 19.498 14.179 ( -2.732 12.849 -6.444) 14.631 14.397 ( -4.564 -10.336 -8.548) 14.168 ======================= Grid point 244 (87/270) ======================= q-point: ( 0.20 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 9.684 33.306 18.717) 39.413 4.471 ( 12.836 15.554 20.596) 28.824 4.733 ( 9.738 -22.873 23.825) 34.433 4.981 ( 4.829 -23.306 18.671) 30.250 6.292 ( 13.633 26.883 11.419) 32.233 6.675 ( 8.232 -13.064 8.619) 17.684 7.906 ( -0.958 3.010 11.732) 12.150 7.949 ( -4.342 -1.972 2.166) 5.237 8.234 ( -7.299 -0.936 10.816) 13.082 8.261 ( -6.593 -3.669 18.932) 20.380 8.911 ( -2.105 5.995 23.195) 24.049 9.041 ( -4.668 -7.958 25.671) 27.278 11.944 ( -1.466 15.033 0.573) 15.115 12.231 ( -1.684 -14.777 0.110) 14.873 13.333 ( 3.178 16.038 -8.146) 18.267 13.659 ( 2.127 -17.631 -6.767) 19.004 14.111 ( -3.817 9.945 -4.479) 11.556 14.277 ( -7.235 -7.709 -6.206) 12.259 ======================= Grid point 245 (88/270) ======================= q-point: ( 0.30 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.289 ( 13.535 29.286 10.188) 33.833 4.754 ( 14.368 2.732 17.544) 22.841 4.902 ( 6.734 -14.270 16.964) 23.168 5.116 ( 9.669 -15.135 23.745) 29.772 6.552 ( 12.186 19.878 7.053) 24.359 6.818 ( 5.724 -7.220 3.343) 9.801 7.792 ( -10.619 -0.100 -3.379) 11.144 7.832 ( -7.855 -2.480 -0.017) 8.237 8.113 ( -2.292 3.409 22.878) 23.244 8.210 ( -0.038 -6.331 21.048) 21.980 8.871 ( -1.878 4.149 26.164) 26.557 8.954 ( -4.071 -4.759 27.672) 28.371 11.923 ( -0.468 12.711 0.886) 12.750 12.173 ( -4.082 -12.911 0.241) 13.543 13.391 ( 2.727 13.106 -7.632) 15.409 13.682 ( -0.422 -16.743 -7.251) 18.251 14.043 ( -2.841 6.392 -2.458) 7.414 14.140 ( -6.028 -3.829 -3.340) 7.884 ======================= Grid point 246 (89/270) ======================= q-point: ( 0.40 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.550 ( 12.424 18.259 5.915) 22.863 4.863 ( -2.165 -13.597 5.686) 14.896 5.127 ( 14.611 9.890 25.748) 31.213 5.309 ( 7.570 -9.861 27.387) 30.076 6.749 ( 7.629 12.413 -1.648) 14.663 6.883 ( 0.830 -0.405 -5.392) 5.471 7.594 ( -8.056 -2.866 -3.125) 9.104 7.642 ( -9.414 -6.434 -2.437) 11.660 8.134 ( 2.971 4.254 24.152) 24.703 8.216 ( -0.123 -4.201 21.253) 21.665 8.844 ( -0.680 2.479 29.275) 29.388 8.886 ( -2.752 -1.987 29.921) 30.113 11.933 ( 1.638 7.501 1.076) 7.752 12.081 ( -5.057 -7.367 0.598) 8.956 13.447 ( 3.305 6.781 -6.034) 9.660 13.629 ( -4.632 -11.552 -6.282) 13.941 14.010 ( -0.384 2.950 -1.671) 3.412 14.056 ( -2.682 -1.500 -2.072) 3.706 ======================= Grid point 247 (90/270) ======================= q-point: (-0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.756 ( -8.257 2.956 4.836) 10.015 4.756 ( 8.257 2.956 4.836) 10.015 5.340 ( -5.239 0.252 28.248) 28.731 5.340 ( 5.239 0.252 28.248) 28.731 6.855 ( -3.465 5.983 -9.590) 11.823 6.855 ( 3.465 5.983 -9.590) 11.823 7.524 ( -1.545 -6.170 -1.257) 6.484 7.524 ( 1.545 -6.170 -1.257) 6.484 8.192 ( -2.360 0.337 22.212) 22.340 8.192 ( 2.360 0.337 22.212) 22.340 8.848 ( -1.081 0.441 30.839) 30.861 8.848 ( 1.081 0.441 30.839) 30.861 11.989 ( -3.986 0.210 0.962) 4.106 11.989 ( 3.986 0.210 0.962) 4.106 13.528 ( -4.967 -2.246 -5.190) 7.527 13.528 ( 4.967 -2.246 -5.190) 7.527 14.020 ( -1.180 0.043 -1.884) 2.223 14.020 ( 1.180 0.043 -1.884) 2.223 ======================= Grid point 297 (91/270) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 0.000 0.000 33.331) 33.331 3.138 ( 0.000 0.000 42.479) 42.479 4.348 ( 0.000 0.000 61.404) 61.404 6.579 ( 0.000 0.000 7.306) 7.306 6.614 ( 0.000 0.000 -2.298) 2.298 6.754 ( 0.000 0.000 27.392) 27.392 8.272 ( 0.000 0.000 5.370) 5.370 8.381 ( 0.000 0.000 33.303) 33.303 8.446 ( 0.000 0.000 0.300) 0.300 8.910 ( 0.000 0.000 18.832) 18.832 9.019 ( 0.000 0.000 12.011) 12.011 11.277 ( 0.000 0.000 2.549) 2.549 11.482 ( 0.000 0.000 -0.049) 0.049 11.948 ( 0.000 0.000 -2.203) 2.203 12.777 ( 0.000 0.000 1.672) 1.672 13.279 ( 0.000 0.000 -2.964) 2.964 14.060 ( 0.000 0.000 -8.683) 8.683 14.843 ( 0.000 0.000 -12.973) 12.973 ======================= Grid point 298 (92/270) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 17.706 0.000 29.676) 34.557 2.960 ( -10.670 0.000 40.443) 41.827 4.717 ( 30.435 0.000 54.706) 62.602 6.558 ( -5.709 0.000 -1.272) 5.849 6.569 ( -1.746 0.000 6.117) 6.361 6.750 ( -0.237 0.000 26.686) 26.687 8.255 ( -1.701 0.000 4.996) 5.277 8.310 ( -4.347 0.000 18.962) 19.454 8.502 ( 3.073 0.000 14.496) 14.819 8.919 ( 1.008 0.000 19.193) 19.219 8.995 ( -2.340 0.000 12.916) 13.127 10.906 ( -28.394 0.000 13.849) 31.591 11.513 ( 3.166 0.000 -0.067) 3.167 12.133 ( 10.669 0.000 -8.558) 13.677 12.821 ( 4.833 0.000 1.429) 5.040 13.318 ( 3.907 0.000 -2.944) 4.892 14.033 ( -2.661 0.000 -8.262) 8.680 14.796 ( -4.726 0.000 -12.454) 13.321 ======================= Grid point 299 (93/270) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 28.106 0.000 22.047) 35.722 2.925 ( 9.174 0.000 26.910) 28.431 5.336 ( 29.246 0.000 42.370) 51.484 6.400 ( -9.512 0.000 3.124) 10.012 6.459 ( -10.663 0.000 5.901) 12.187 6.759 ( 1.390 0.000 21.710) 21.754 8.211 ( -2.602 0.000 4.348) 5.067 8.248 ( -1.499 0.000 12.722) 12.810 8.541 ( 0.765 0.000 20.839) 20.853 8.933 ( -3.901 0.000 15.026) 15.524 8.955 ( 2.911 0.000 20.099) 20.309 10.353 ( -26.100 0.000 24.199) 35.592 11.602 ( 5.710 0.000 -0.179) 5.713 12.250 ( 1.612 0.000 -9.557) 9.692 12.973 ( 10.326 0.000 -0.625) 10.345 13.423 ( 6.524 0.000 -3.093) 7.220 13.960 ( -4.630 0.000 -7.146) 8.515 14.664 ( -8.560 0.000 -11.083) 14.004 ======================= Grid point 300 (94/270) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 28.742 0.000 9.797) 30.366 3.503 ( 31.593 0.000 14.319) 34.686 5.689 ( 0.566 0.000 16.477) 16.487 6.135 ( -22.190 0.000 4.459) 22.633 6.306 ( 5.499 0.000 21.150) 21.853 6.792 ( 1.511 0.000 16.865) 16.932 8.165 ( -1.669 0.000 4.629) 4.921 8.250 ( 1.169 0.000 7.179) 7.274 8.537 ( -0.816 0.000 26.752) 26.764 8.843 ( -5.199 0.000 17.441) 18.200 9.038 ( 5.569 0.000 21.599) 22.306 9.909 ( -19.169 0.000 28.081) 33.999 11.731 ( 7.218 0.000 -0.560) 7.239 12.228 ( -3.197 0.000 -7.163) 7.844 13.201 ( 12.225 0.000 -2.424) 12.463 13.567 ( 8.193 0.000 -3.768) 9.018 13.858 ( -5.706 0.000 -5.687) 8.056 14.468 ( -11.152 0.000 -9.334) 14.543 ======================= Grid point 301 (95/270) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( 35.121 0.000 -1.368) 35.148 4.111 ( 29.062 0.000 6.919) 29.874 5.433 ( -20.074 0.000 6.212) 21.013 5.616 ( -29.409 0.000 2.744) 29.537 6.543 ( 12.994 0.000 24.827) 28.022 6.801 ( -1.039 0.000 15.556) 15.591 8.159 ( 1.207 0.000 6.122) 6.240 8.259 ( -1.102 0.000 3.811) 3.967 8.539 ( 1.906 0.000 29.558) 29.619 8.732 ( -6.036 0.000 20.269) 21.149 9.173 ( 8.105 0.000 23.853) 25.192 9.590 ( -13.776 0.000 28.141) 31.332 11.877 ( 7.544 0.000 -1.415) 7.676 12.141 ( -5.439 0.000 -4.778) 7.240 13.428 ( 10.461 0.000 -2.789) 10.826 13.739 ( -6.357 0.000 -4.255) 7.649 13.750 ( 10.625 0.000 -5.102) 11.787 14.233 ( -12.616 0.000 -7.720) 14.791 ======================= Grid point 302 (96/270) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.475 ( -3.897 0.000 -3.931) 5.535 4.475 ( 3.897 0.000 -3.931) 5.535 5.159 ( -4.871 0.000 7.821) 9.214 5.159 ( 4.871 0.000 7.821) 9.214 6.734 ( -6.267 0.000 18.427) 19.464 6.734 ( 6.267 0.000 18.427) 19.464 8.208 ( -3.342 0.000 6.240) 7.079 8.208 ( 3.342 0.000 6.240) 7.079 8.616 ( -5.417 0.000 24.608) 25.197 8.616 ( 5.417 0.000 24.608) 25.197 9.355 ( -10.490 0.000 26.337) 28.349 9.355 ( 10.490 0.000 26.337) 28.349 12.020 ( -6.845 0.000 -2.835) 7.409 12.020 ( 6.845 0.000 -2.835) 7.409 13.604 ( -7.646 0.000 -3.178) 8.280 13.604 ( 7.646 0.000 -3.178) 8.280 13.982 ( -12.704 0.000 -6.437) 14.242 13.982 ( 12.704 0.000 -6.437) 14.242 ======================= Grid point 308 (97/270) ======================= q-point: ( 0.00 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 0.000 39.669 26.888) 47.923 3.284 ( 0.000 14.876 40.340) 42.996 4.442 ( 0.000 10.535 59.740) 60.662 6.383 ( 0.000 -17.987 11.881) 21.557 6.499 ( 0.000 -8.399 8.236) 11.763 6.870 ( 0.000 6.347 14.697) 16.009 8.267 ( 0.000 -0.495 10.979) 10.990 8.390 ( 0.000 -5.630 -0.124) 5.631 8.444 ( 0.000 5.750 25.874) 26.505 8.910 ( 0.000 0.127 19.148) 19.148 9.021 ( 0.000 0.665 13.649) 13.666 11.069 ( 0.000 -31.068 10.750) 32.875 11.334 ( 0.000 5.938 2.245) 6.348 12.199 ( 0.000 16.002 -6.996) 17.464 12.743 ( 0.000 -3.535 1.466) 3.827 13.355 ( 0.000 7.830 -3.122) 8.429 14.055 ( 0.000 -0.879 -8.189) 8.236 14.768 ( 0.000 -7.656 -13.380) 15.416 ======================= Grid point 309 (98/270) ======================= q-point: ( 0.10 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 11.855 35.724 25.734) 45.596 3.104 ( -9.426 14.782 37.987) 41.837 4.812 ( 30.205 10.382 52.918) 61.810 6.355 ( -3.604 -14.556 9.625) 17.819 6.512 ( 1.735 -10.720 8.452) 13.761 6.827 ( -4.560 6.479 15.804) 17.678 8.229 ( -3.403 -1.763 10.613) 11.284 8.330 ( -3.900 -1.090 3.962) 5.666 8.496 ( 2.988 1.182 21.488) 21.727 8.909 ( -0.277 -0.969 18.640) 18.667 9.014 ( -0.434 2.326 15.465) 15.645 10.757 ( -23.838 -16.433 17.797) 33.986 11.432 ( 5.808 -2.208 1.099) 6.310 12.288 ( 5.859 12.196 -10.034) 16.844 12.782 ( 4.494 -4.109 1.620) 6.301 13.389 ( 3.364 7.275 -3.043) 8.573 14.034 ( -2.061 -0.256 -7.850) 8.120 14.721 ( -4.640 -7.599 -12.797) 15.590 ======================= Grid point 310 (99/270) ======================= q-point: ( 0.20 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 8.120 12.524 26.931) 30.790 3.278 ( 23.140 28.775 19.506) 41.761 5.416 ( 27.761 8.625 40.234) 49.637 6.230 ( -8.315 -10.732 8.576) 16.058 6.565 ( 2.179 -6.094 3.236) 7.236 6.683 ( -9.370 2.346 21.489) 23.561 8.161 ( -3.047 -3.461 7.635) 8.920 8.255 ( -3.490 -2.123 3.628) 5.464 8.538 ( 1.077 0.480 24.176) 24.205 8.888 ( -2.123 -2.627 17.056) 17.387 9.023 ( 1.781 5.103 19.935) 20.655 10.281 ( -23.043 -7.644 25.564) 35.255 11.549 ( 6.423 -3.210 0.608) 7.206 12.340 ( -0.846 7.687 -10.100) 12.721 12.933 ( 10.538 -4.089 -0.498) 11.314 13.479 ( 5.534 5.829 -3.085) 8.610 13.977 ( -3.649 1.357 -6.901) 7.924 14.592 ( -8.360 -7.394 -11.267) 15.859 ======================= Grid point 311 (100/270) ======================= q-point: ( 0.30 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 25.971 5.754 12.192) 29.262 3.805 ( 29.267 25.222 12.184) 40.511 5.671 ( -7.484 -1.708 11.391) 13.736 6.165 ( 0.393 2.943 17.737) 17.984 6.388 ( -9.366 8.026 14.332) 18.908 6.678 ( 4.051 -11.229 15.392) 19.479 8.111 ( -2.032 -4.832 4.331) 6.800 8.213 ( -0.700 -4.906 3.934) 6.327 8.541 ( -0.305 0.807 28.121) 28.134 8.825 ( -4.191 -1.682 17.608) 18.177 9.088 ( 4.722 4.843 22.884) 23.863 9.882 ( -17.475 -2.846 28.733) 33.750 11.688 ( 7.729 -3.219 0.179) 8.374 12.277 ( -4.996 4.188 -7.318) 9.800 13.167 ( 12.700 -3.549 -2.518) 13.425 13.595 ( 6.086 3.383 -3.596) 7.837 13.897 ( -4.255 3.523 -5.617) 7.878 14.403 ( -10.689 -6.848 -9.360) 15.772 ======================= Grid point 312 (101/270) ======================= q-point: ( 0.40 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( 32.956 1.144 2.334) 33.058 4.378 ( 26.806 21.245 4.481) 34.496 5.336 ( -20.344 -5.701 5.615) 21.861 5.801 ( -27.391 14.563 5.433) 31.494 6.545 ( 11.919 -0.271 23.535) 26.382 6.737 ( 1.328 -5.971 14.017) 15.293 8.097 ( 0.914 -6.152 5.083) 8.033 8.198 ( -1.626 -6.390 3.735) 7.578 8.551 ( 1.927 1.107 28.915) 29.001 8.729 ( -5.448 -0.345 20.082) 20.811 9.206 ( 7.230 3.362 25.115) 26.351 9.589 ( -12.767 -0.143 28.833) 31.534 11.847 ( 8.354 -2.518 -0.751) 8.758 12.157 ( -6.948 1.337 -4.623) 8.452 13.411 ( 11.633 -2.295 -2.894) 12.205 13.688 ( 1.089 -0.685 -4.083) 4.280 13.841 ( 0.956 5.173 -4.948) 7.222 14.182 ( -11.470 -5.319 -7.701) 14.804 ======================= Grid point 313 (102/270) ======================= q-point: (-0.50 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( -21.337 3.240 -2.403) 21.715 4.504 ( 21.337 3.240 -2.403) 21.715 5.271 ( -21.332 11.127 8.217) 25.424 5.271 ( 21.332 11.127 8.217) 25.424 6.709 ( -4.670 -2.547 16.690) 17.518 6.709 ( 4.670 -2.547 16.690) 17.518 8.144 ( -3.338 -6.560 5.700) 9.310 8.144 ( 3.338 -6.560 5.700) 9.310 8.623 ( -5.009 0.582 24.281) 24.799 8.623 ( 5.009 0.582 24.281) 24.799 9.371 ( -9.649 1.696 27.305) 29.010 9.371 ( 9.649 1.696 27.305) 29.010 12.009 ( -8.039 -0.963 -2.376) 8.438 12.009 ( 8.039 -0.963 -2.376) 8.438 13.604 ( -7.777 -0.220 -3.067) 8.363 13.604 ( 7.777 -0.220 -3.067) 8.363 13.968 ( -9.824 -1.300 -6.394) 11.794 13.968 ( 9.824 -1.300 -6.394) 11.794 ======================= Grid point 319 (103/270) ======================= q-point: ( 0.00 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( 0.000 38.988 23.052) 45.293 3.669 ( 0.000 24.724 35.423) 43.197 4.795 ( 0.000 27.983 51.395) 58.519 5.991 ( 0.000 -22.827 17.970) 29.052 6.267 ( 0.000 -15.763 10.523) 18.953 6.957 ( 0.000 2.589 12.982) 13.238 8.243 ( 0.000 -2.563 9.646) 9.981 8.255 ( 0.000 -7.820 -0.805) 7.861 8.559 ( 0.000 5.817 22.519) 23.258 8.913 ( 0.000 0.068 19.732) 19.732 9.070 ( 0.000 4.996 17.541) 18.238 10.489 ( 0.000 -28.388 20.799) 35.192 11.495 ( 0.000 10.783 1.513) 10.889 12.466 ( 0.000 12.041 -6.738) 13.798 12.650 ( 0.000 -5.623 -0.993) 5.710 13.557 ( 0.000 12.844 -3.838) 13.405 14.001 ( 0.000 -5.907 -7.118) 9.250 14.580 ( 0.000 -11.072 -14.142) 17.960 ======================= Grid point 320 (104/270) ======================= q-point: ( 0.10 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( -13.040 24.857 34.840) 44.741 3.605 ( 10.387 39.117 21.046) 45.618 5.135 ( 27.629 24.134 46.053) 58.879 6.022 ( 2.561 -20.398 17.363) 26.909 6.229 ( -3.292 -17.944 10.015) 20.812 6.938 ( -2.216 4.487 12.927) 13.862 8.188 ( -4.473 -3.099 6.421) 8.417 8.235 ( -2.974 -7.207 0.436) 7.809 8.564 ( 0.474 4.586 23.578) 24.024 8.887 ( -2.271 -1.208 19.361) 19.531 9.093 ( 2.020 5.995 19.221) 20.235 10.358 ( -12.125 -22.723 23.535) 34.889 11.503 ( 1.237 8.525 1.486) 8.742 12.521 ( 2.371 12.262 -11.333) 16.865 12.668 ( 4.035 -7.686 1.910) 8.888 13.578 ( 2.051 12.024 -3.551) 12.704 13.996 ( -0.506 -4.965 -6.921) 8.533 14.534 ( -4.604 -11.061 -13.397) 17.972 ======================= Grid point 321 (105/270) ======================= q-point: ( 0.20 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 2.004 24.369 25.414) 35.266 3.902 ( 19.271 34.206 17.779) 43.099 5.665 ( 20.532 16.884 31.566) 41.268 6.012 ( -2.662 -12.129 14.837) 19.348 6.234 ( 6.031 -22.315 16.693) 28.513 6.846 ( -7.960 9.327 10.597) 16.206 8.093 ( -4.654 -3.798 4.455) 7.479 8.144 ( -5.623 -8.545 -0.775) 10.259 8.573 ( 0.181 2.728 25.925) 26.069 8.838 ( -2.534 -2.659 18.913) 19.266 9.140 ( 2.729 7.001 22.199) 23.436 10.078 ( -15.013 -12.961 27.742) 34.102 11.554 ( 4.041 4.437 1.381) 6.158 12.481 ( -5.140 5.636 -9.172) 11.929 12.840 ( 11.582 -4.157 -1.817) 12.439 13.633 ( 3.379 9.934 -3.172) 10.962 13.981 ( -1.023 -2.335 -6.346) 6.839 14.405 ( -8.222 -11.066 -11.441) 17.915 ======================= Grid point 322 (106/270) ======================= q-point: ( 0.30 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( 19.560 18.655 12.879) 29.941 4.341 ( 24.953 29.387 13.344) 40.796 5.618 ( -16.656 -4.548 5.468) 18.111 6.226 ( 16.249 -1.504 22.525) 27.814 6.383 ( 3.468 -8.866 28.843) 30.373 6.628 ( -10.394 11.848 0.984) 15.792 8.000 ( -4.890 -6.967 0.810) 8.550 8.062 ( -2.038 -9.999 2.042) 10.407 8.568 ( -0.448 1.715 28.253) 28.308 8.786 ( -2.916 -2.354 18.664) 19.036 9.202 ( 3.718 6.729 25.093) 26.244 9.803 ( -12.642 -5.393 30.066) 33.058 11.660 ( 6.699 1.218 1.145) 6.904 12.350 ( -7.957 2.633 -6.325) 10.500 13.084 ( 12.934 -4.199 -3.634) 14.076 13.698 ( 2.867 7.043 -3.280) 8.282 13.956 ( -1.440 1.357 -5.461) 5.809 14.223 ( -9.918 -10.994 -9.048) 17.352 ======================= Grid point 323 (107/270) ======================= q-point: ( 0.40 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( 28.150 11.484 4.263) 30.699 4.826 ( 18.584 24.429 5.991) 31.273 5.255 ( -14.054 -2.986 7.082) 16.018 6.085 ( -25.545 12.836 14.934) 32.254 6.489 ( 10.801 -5.286 12.075) 17.042 6.658 ( 4.144 -0.134 12.578) 13.243 7.939 ( -0.664 -10.288 2.293) 10.562 8.029 ( -2.180 -10.870 3.483) 11.621 8.575 ( 1.630 1.303 27.469) 27.548 8.718 ( -4.054 -0.762 20.160) 20.578 9.291 ( 5.417 5.265 27.557) 28.573 9.584 ( -9.744 -0.350 30.491) 32.012 11.812 ( 8.641 -0.492 0.376) 8.664 12.179 ( -9.294 0.617 -3.617) 9.992 13.340 ( 12.982 -4.537 -3.733) 14.250 13.716 ( -2.321 2.611 -3.660) 5.060 13.930 ( -0.777 3.800 -4.652) 6.057 14.043 ( -7.505 -8.569 -7.124) 13.435 ======================= Grid point 324 (108/270) ======================= q-point: (-0.50 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.599 ( -27.020 6.650 0.463) 27.830 4.599 ( 27.020 6.650 0.463) 27.830 5.539 ( -28.292 15.841 11.517) 34.410 5.539 ( 28.292 15.841 11.517) 34.410 6.649 ( -4.931 -3.259 11.107) 12.582 6.649 ( 4.931 -3.259 11.107) 12.582 7.971 ( -3.190 -11.318 4.286) 12.516 7.971 ( 3.190 -11.318 4.286) 12.516 8.634 ( -4.119 0.641 23.582) 23.948 8.634 ( 4.119 0.641 23.582) 23.948 9.416 ( -7.445 2.973 29.488) 30.558 9.416 ( 7.445 2.973 29.488) 30.558 11.992 ( -9.525 -0.593 -1.245) 9.625 11.992 ( 9.525 -0.593 -1.245) 9.625 13.579 ( -10.722 -2.908 -3.631) 11.687 13.579 ( 10.722 -2.908 -3.631) 11.687 13.947 ( -2.653 -0.441 -5.453) 6.081 13.947 ( 2.653 -0.441 -5.453) 6.081 ======================= Grid point 330 (109/270) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.096 ( 0.000 25.796 28.133) 38.170 4.182 ( 0.000 28.521 29.939) 41.350 5.427 ( 0.000 29.750 37.101) 47.556 5.540 ( 0.000 -24.149 22.803) 33.214 5.953 ( 0.000 -11.602 12.963) 17.397 6.950 ( 0.000 -4.175 14.885) 15.460 8.118 ( 0.000 -6.166 -1.345) 6.310 8.161 ( 0.000 -5.748 3.624) 6.795 8.666 ( 0.000 5.741 24.075) 24.750 8.906 ( 0.000 -1.130 20.733) 20.764 9.210 ( 0.000 9.402 20.418) 22.479 10.018 ( 0.000 -21.306 24.450) 32.431 11.729 ( 0.000 13.623 0.806) 13.647 12.465 ( 0.000 -9.466 2.410) 9.768 12.750 ( 0.000 14.266 -11.274) 18.183 13.795 ( 0.000 -15.865 -7.661) 17.618 13.814 ( 0.000 13.622 -5.297) 14.615 14.391 ( 0.000 -8.426 -12.946) 15.446 ======================= Grid point 331 (110/270) ======================= q-point: ( 0.10 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( -9.303 27.831 30.154) 42.076 4.264 ( 8.143 29.924 23.420) 38.862 5.571 ( 6.300 -14.219 24.732) 29.215 5.653 ( 14.361 2.602 31.349) 34.580 5.927 ( -0.605 -0.304 13.501) 13.518 6.969 ( 1.595 -2.077 14.768) 14.998 8.084 ( -3.659 -6.372 -2.067) 7.634 8.124 ( -3.710 -5.001 2.312) 6.642 8.651 ( -1.321 4.698 24.625) 25.104 8.863 ( -3.699 -1.497 21.040) 21.415 9.234 ( 2.086 8.689 21.645) 23.417 9.959 ( -5.591 -18.807 25.746) 32.370 11.716 ( -0.976 13.244 1.109) 13.327 12.487 ( 1.028 -10.990 0.849) 11.070 12.773 ( 2.921 14.458 -10.785) 18.273 13.804 ( 0.881 -15.277 -7.574) 17.074 13.819 ( 0.459 12.616 -4.840) 13.520 14.350 ( -4.074 -7.819 -11.965) 14.863 ======================= Grid point 332 (111/270) ======================= q-point: ( 0.20 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( 0.005 30.078 22.427) 37.518 4.496 ( 15.341 27.579 20.090) 37.411 5.685 ( -5.508 -25.121 12.812) 28.732 5.728 ( 6.382 -15.963 19.504) 25.999 6.164 ( 20.108 22.713 28.589) 41.683 6.980 ( -1.703 3.571 12.721) 13.323 7.973 ( -7.270 -7.777 -2.915) 11.037 8.021 ( -6.450 -4.283 -0.429) 7.754 8.625 ( -1.278 2.664 25.954) 26.122 8.787 ( -3.491 -2.736 21.350) 21.806 9.280 ( 2.434 7.626 24.236) 25.524 9.825 ( -7.372 -12.947 28.453) 32.118 11.709 ( 0.624 11.353 1.433) 11.460 12.459 ( -4.092 -8.390 -2.251) 9.602 12.881 ( 7.825 9.365 -8.608) 14.934 13.819 ( 0.204 -7.648 -7.591) 10.778 13.838 ( 1.775 3.633 -3.889) 5.610 14.239 ( -7.003 -5.797 -9.257) 12.974 ======================= Grid point 333 (112/270) ======================= q-point: ( 0.30 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 12.888 26.152 12.528) 31.733 4.857 ( 21.215 23.852 17.405) 36.358 5.460 ( -14.412 -13.190 5.787) 20.376 5.933 ( 11.473 -19.030 21.633) 31.012 6.509 ( 13.176 13.607 23.804) 30.420 6.861 ( -10.574 10.726 5.125) 15.910 7.824 ( -7.267 -10.403 -2.418) 12.918 7.898 ( -5.387 -7.236 -0.747) 9.052 8.600 ( -1.045 1.627 27.161) 27.230 8.737 ( -1.828 -2.856 20.534) 20.812 9.330 ( 2.770 6.610 27.158) 28.088 9.688 ( -6.440 -6.454 30.872) 32.190 11.748 ( 3.427 7.937 1.482) 8.771 12.339 ( -7.789 -4.633 -2.851) 9.501 13.061 ( 10.198 3.167 -6.691) 12.602 13.801 ( -2.584 -6.372 -7.379) 10.086 13.880 ( 2.294 -0.360 -3.806) 4.459 14.095 ( -6.942 -1.684 -5.585) 9.067 ======================= Grid point 334 (113/270) ======================= q-point: ( 0.40 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( 20.195 17.726 5.575) 27.443 5.132 ( -18.171 -1.350 3.159) 18.493 5.319 ( 24.720 16.986 16.446) 34.206 6.095 ( -0.009 -10.451 28.291) 30.159 6.565 ( -6.010 12.810 -1.174) 14.198 6.709 ( -1.411 4.821 7.104) 8.701 7.720 ( -2.473 -12.028 -0.236) 12.282 7.809 ( -4.143 -11.921 1.943) 12.769 8.600 ( 1.367 1.504 25.641) 25.721 8.700 ( -2.263 -1.225 20.901) 21.058 9.393 ( 3.683 5.241 29.798) 30.479 9.573 ( -5.372 -0.972 32.019) 32.482 11.845 ( 6.377 4.038 1.100) 7.628 12.169 ( -9.143 -2.004 -1.585) 9.494 13.273 ( 11.232 -1.558 -5.351) 12.539 13.693 ( -8.446 -7.984 -6.614) 13.373 13.923 ( 1.949 0.020 -3.629) 4.120 13.996 ( -2.992 1.794 -3.493) 4.937 ======================= Grid point 335 (114/270) ======================= q-point: (-0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.740 ( -21.144 7.563 2.865) 22.637 4.740 ( 21.144 7.563 2.865) 22.637 5.811 ( -23.630 11.188 20.155) 33.011 5.811 ( 23.630 11.188 20.155) 33.011 6.617 ( -7.390 0.964 1.101) 7.533 6.617 ( 7.390 0.964 1.101) 7.533 7.733 ( -3.114 -13.110 2.532) 13.711 7.733 ( 3.114 -13.110 2.532) 13.711 8.647 ( -2.926 0.635 22.857) 23.052 8.647 ( 2.926 0.635 22.857) 23.052 9.475 ( -4.636 2.891 31.577) 32.046 9.475 ( 4.636 2.891 31.577) 32.046 11.993 ( -8.533 0.650 0.024) 8.558 11.993 ( 8.533 0.650 0.024) 8.558 13.495 ( -11.121 -5.395 -5.219) 13.417 13.495 ( 11.121 -5.395 -5.219) 13.417 13.956 ( -1.588 1.152 -3.496) 4.009 13.956 ( 1.588 1.152 -3.496) 4.009 ======================= Grid point 341 (115/270) ======================= q-point: ( 0.00 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.540 ( 0.000 21.485 28.409) 35.618 4.686 ( 0.000 19.139 24.748) 31.286 5.127 ( 0.000 -14.346 27.548) 31.060 5.343 ( 0.000 -22.803 24.161) 33.223 6.295 ( 0.000 30.674 21.240) 37.310 6.759 ( 0.000 -17.004 18.219) 24.922 8.039 ( 0.000 -1.810 -1.550) 2.383 8.059 ( 0.000 -3.900 -0.379) 3.918 8.776 ( 0.000 5.524 24.182) 24.805 8.863 ( 0.000 -3.474 22.469) 22.736 9.414 ( 0.000 12.010 22.423) 25.437 9.672 ( 0.000 -15.601 24.208) 28.799 11.996 ( 0.000 14.118 0.581) 14.130 12.252 ( 0.000 -12.636 1.070) 12.681 13.063 ( 0.000 18.523 -10.544) 21.314 13.438 ( 0.000 -20.410 -9.468) 22.500 14.054 ( 0.000 11.331 -7.387) 13.526 14.239 ( 0.000 -8.422 -10.012) 13.083 ======================= Grid point 342 (116/270) ======================= q-point: ( 0.10 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.494 ( -3.726 26.593 26.316) 37.598 4.736 ( 5.295 15.371 22.762) 27.972 5.152 ( 2.405 -16.165 26.049) 30.751 5.349 ( 0.880 -22.505 22.105) 31.557 6.401 ( 9.724 28.494 21.615) 37.063 6.819 ( 5.428 -14.778 18.062) 23.960 8.005 ( -3.618 -1.411 -2.541) 4.641 8.033 ( -2.862 -3.923 -1.579) 5.106 8.743 ( -3.067 4.785 24.660) 25.306 8.820 ( -3.957 -3.208 22.932) 23.491 9.417 ( 0.384 10.717 23.503) 25.834 9.649 ( -2.098 -14.052 25.203) 28.931 11.984 ( -1.088 14.579 0.741) 14.638 12.253 ( -0.129 -13.524 0.715) 13.543 13.083 ( 2.018 18.252 -10.639) 21.222 13.453 ( 1.418 -20.126 -9.595) 22.342 14.042 ( -1.082 10.517 -6.575) 12.450 14.213 ( -2.611 -7.616 -9.004) 12.079 ======================= Grid point 343 (117/270) ======================= q-point: ( 0.20 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.448 ( 0.156 31.249 19.387) 36.775 4.884 ( 9.030 3.230 18.970) 21.256 5.203 ( 2.615 -12.667 20.663) 24.377 5.414 ( 6.749 -17.579 21.250) 28.393 6.619 ( 11.015 22.057 20.382) 31.988 6.930 ( 4.767 -9.717 16.363) 19.618 7.889 ( -8.256 -0.453 -4.777) 9.550 7.937 ( -7.098 -4.317 -3.835) 9.151 8.677 ( -3.092 2.905 25.449) 25.800 8.733 ( -4.128 -2.979 23.678) 24.219 9.429 ( 0.819 8.276 26.069) 27.364 9.603 ( -2.272 -10.366 27.672) 29.637 11.960 ( -1.165 14.499 1.005) 14.581 12.235 ( -1.889 -13.951 0.206) 14.080 13.138 ( 3.502 16.689 -10.342) 19.944 13.486 ( 1.722 -19.288 -9.770) 21.690 14.016 ( -1.524 8.351 -4.690) 9.698 14.144 ( -4.079 -5.354 -6.457) 9.327 ======================= Grid point 344 (118/270) ======================= q-point: ( 0.30 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.516 ( 6.492 28.461 11.472) 31.365 5.017 ( 2.226 -20.509 10.573) 23.181 5.320 ( 11.684 13.395 19.715) 26.544 5.612 ( 12.700 -15.472 22.137) 29.845 6.786 ( 5.068 13.878 15.640) 21.515 6.959 ( -2.977 -2.245 10.505) 11.147 7.697 ( -10.219 -1.232 -4.982) 11.435 7.765 ( -9.639 -6.544 -4.253) 12.402 8.634 ( -1.136 2.108 25.332) 25.445 8.681 ( -1.164 -2.863 22.910) 23.118 9.450 ( 1.371 6.143 29.050) 29.724 9.567 ( -1.443 -6.244 30.480) 31.147 11.945 ( -0.232 12.167 1.203) 12.229 12.178 ( -3.880 -11.452 0.073) 12.091 13.217 ( 4.463 12.654 -8.877) 16.089 13.508 ( 0.159 -17.126 -9.303) 19.490 13.987 ( -1.282 5.653 -2.931) 6.496 14.065 ( -3.676 -2.544 -3.817) 5.878 ======================= Grid point 345 (119/270) ======================= q-point: ( 0.40 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.678 ( 9.318 18.398 6.031) 21.487 4.982 ( -4.665 -12.676 5.379) 14.539 5.634 ( 18.180 14.083 21.490) 31.475 5.870 ( 11.668 -11.884 25.108) 30.129 6.782 ( -6.587 7.658 4.578) 11.091 6.815 ( -8.835 4.335 0.019) 9.841 7.542 ( -4.616 -4.439 -1.616) 6.605 7.599 ( -6.441 -9.065 -0.763) 11.146 8.634 ( 0.917 1.960 23.743) 23.841 8.671 ( -0.386 -1.834 22.116) 22.195 9.482 ( 1.760 4.030 31.527) 31.832 9.542 ( -1.190 -2.357 32.407) 32.514 11.957 ( 1.601 7.282 1.203) 7.552 12.092 ( -4.594 -6.121 0.387) 7.663 13.311 ( 5.028 5.868 -6.955) 10.396 13.484 ( -2.705 -11.518 -7.646) 14.087 13.970 ( -0.304 3.002 -2.178) 3.721 14.008 ( -2.183 -0.722 -2.563) 3.443 ======================= Grid point 346 (120/270) ======================= q-point: (-0.50 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.854 ( -8.101 3.590 4.155) 9.787 4.854 ( 8.101 3.590 4.155) 9.787 5.932 ( -8.288 2.249 27.577) 28.883 5.932 ( 8.288 2.249 27.577) 28.883 6.685 ( -2.535 4.206 -6.529) 8.170 6.685 ( 2.535 4.206 -6.529) 8.170 7.519 ( -1.772 -7.550 1.114) 7.835 7.519 ( 1.772 -7.550 1.114) 7.835 8.656 ( -1.105 0.309 22.381) 22.411 8.656 ( 1.105 0.309 22.381) 22.411 9.516 ( -1.589 1.196 32.766) 32.826 9.516 ( 1.589 1.196 32.766) 32.826 12.009 ( -3.605 0.674 0.889) 3.773 12.009 ( 3.605 0.674 0.889) 3.773 13.408 ( -4.684 -2.830 -6.310) 8.352 13.408 ( 4.684 -2.830 -6.310) 8.352 13.977 ( -0.976 0.709 -2.251) 2.554 13.977 ( 0.976 0.709 -2.251) 2.554 ======================= Grid point 396 (121/270) ======================= q-point: ( 0.00 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 0.000 0.000 29.885) 29.885 3.918 ( 0.000 0.000 32.860) 32.860 5.526 ( 0.000 0.000 52.907) 52.907 6.584 ( 0.000 0.000 -0.466) 0.466 6.715 ( 0.000 0.000 5.545) 5.545 7.326 ( 0.000 0.000 27.673) 27.673 8.322 ( 0.000 0.000 0.085) 0.085 8.453 ( 0.000 0.000 0.362) 0.362 9.032 ( 0.000 0.000 29.133) 29.133 9.285 ( 0.000 0.000 17.071) 17.071 9.303 ( 0.000 0.000 14.527) 14.527 11.341 ( 0.000 0.000 3.641) 3.641 11.491 ( 0.000 0.000 0.971) 0.971 11.865 ( 0.000 0.000 -5.978) 5.978 12.822 ( 0.000 0.000 2.659) 2.659 13.218 ( 0.000 0.000 -2.821) 2.821 13.870 ( 0.000 0.000 -9.540) 9.540 14.553 ( 0.000 0.000 -14.978) 14.978 ======================= Grid point 397 (122/270) ======================= q-point: ( 0.10 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 11.955 0.000 27.427) 29.919 3.714 ( -16.133 0.000 32.353) 36.153 5.750 ( 17.910 0.000 44.157) 47.651 6.569 ( -0.864 0.000 3.646) 3.747 6.669 ( -5.066 0.000 3.620) 6.226 7.315 ( -1.304 0.000 27.243) 27.274 8.298 ( -2.222 0.000 -0.052) 2.223 8.417 ( -3.058 0.000 1.411) 3.368 9.047 ( 1.373 0.000 27.424) 27.459 9.295 ( -0.838 0.000 15.124) 15.147 9.309 ( 2.427 0.000 18.450) 18.609 11.134 ( -17.157 0.000 9.013) 19.380 11.521 ( 3.009 0.000 0.839) 3.124 11.960 ( 6.390 0.000 -8.644) 10.750 12.862 ( 4.143 0.000 2.516) 4.847 13.256 ( 3.772 0.000 -2.950) 4.789 13.852 ( -1.831 0.000 -9.159) 9.340 14.518 ( -3.566 0.000 -14.365) 14.801 ======================= Grid point 398 (123/270) ======================= q-point: ( 0.20 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 20.204 0.000 21.364) 29.405 3.461 ( -6.593 0.000 24.341) 25.218 6.002 ( 2.983 0.000 18.068) 18.312 6.490 ( -13.850 0.000 -0.948) 13.883 6.624 ( 8.832 0.000 22.360) 24.041 7.275 ( -2.542 0.000 25.665) 25.791 8.248 ( -2.344 0.000 0.305) 2.364 8.364 ( -1.756 0.000 3.262) 3.705 9.078 ( 1.608 0.000 25.555) 25.606 9.270 ( -1.783 0.000 16.530) 16.626 9.376 ( 4.439 0.000 20.564) 21.038 10.769 ( -18.846 0.000 16.575) 25.098 11.604 ( 5.299 0.000 0.415) 5.315 12.051 ( 2.603 0.000 -9.840) 10.179 12.986 ( 8.326 0.000 1.584) 8.475 13.355 ( 6.003 0.000 -3.411) 6.904 13.802 ( -3.215 0.000 -8.114) 8.728 14.416 ( -6.649 0.000 -12.746) 14.376 ======================= Grid point 399 (124/270) ======================= q-point: ( 0.30 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 12.631 0.000 9.728) 15.943 3.796 ( 23.455 0.000 13.713) 27.170 5.870 ( -13.579 0.000 4.349) 14.259 6.114 ( -24.052 0.000 -4.469) 24.463 6.862 ( 12.253 0.000 28.757) 31.259 7.225 ( -2.338 0.000 22.694) 22.814 8.226 ( 0.373 0.000 2.427) 2.455 8.352 ( 0.157 0.000 4.557) 4.560 9.102 ( 0.765 0.000 25.515) 25.526 9.224 ( -2.791 0.000 18.336) 18.547 9.488 ( 7.131 0.000 21.710) 22.851 10.421 ( -16.369 0.000 21.471) 26.999 11.721 ( 6.371 0.000 -0.391) 6.383 12.068 ( -0.649 0.000 -8.299) 8.324 13.178 ( 10.838 0.000 0.055) 10.838 13.484 ( 7.050 0.000 -4.314) 8.265 13.730 ( -4.044 0.000 -6.638) 7.773 14.261 ( -9.094 0.000 -10.649) 14.004 ======================= Grid point 400 (125/270) ======================= q-point: ( 0.40 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 25.299 0.000 -3.564) 25.549 4.233 ( 18.926 0.000 4.362) 19.423 5.547 ( -17.679 0.000 4.958) 18.361 5.596 ( -26.279 0.000 -3.218) 26.476 7.048 ( 6.591 0.000 23.096) 24.018 7.183 ( -2.068 0.000 19.947) 20.054 8.263 ( 3.064 0.000 5.178) 6.017 8.353 ( -0.453 0.000 5.269) 5.289 9.110 ( 0.287 0.000 25.348) 25.350 9.167 ( -2.770 0.000 20.717) 20.901 9.657 ( 9.967 0.000 22.601) 24.702 10.126 ( -13.828 0.000 23.429) 27.205 11.845 ( 6.117 0.000 -1.699) 6.349 12.031 ( -2.962 0.000 -5.863) 6.569 13.385 ( 9.587 0.000 -1.413) 9.690 13.639 ( 9.091 0.000 -5.653) 10.706 13.644 ( -4.716 0.000 -4.948) 6.835 14.064 ( -10.881 0.000 -8.618) 13.880 ======================= Grid point 401 (126/270) ======================= q-point: (-0.50 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( -12.250 0.000 -7.959) 14.608 4.352 ( 12.250 0.000 -7.959) 14.608 5.295 ( -1.884 0.000 5.796) 6.094 5.295 ( 1.884 0.000 5.796) 6.094 7.137 ( -3.014 0.000 19.578) 19.809 7.137 ( 3.014 0.000 19.578) 19.809 8.323 ( -2.566 0.000 5.895) 6.429 8.323 ( 2.566 0.000 5.895) 6.429 9.125 ( -1.414 0.000 23.505) 23.547 9.125 ( 1.414 0.000 23.505) 23.547 9.874 ( -11.987 0.000 23.441) 26.328 9.874 ( 11.987 0.000 23.441) 26.328 11.954 ( -4.835 0.000 -3.553) 6.000 11.954 ( 4.835 0.000 -3.553) 6.000 13.539 ( -6.254 0.000 -3.144) 7.000 13.539 ( 6.254 0.000 -3.144) 7.000 13.843 ( -11.319 0.000 -6.990) 13.303 13.843 ( 11.319 0.000 -6.990) 13.303 ======================= Grid point 407 (127/270) ======================= q-point: ( 0.00 0.11 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 0.000 31.338 25.789) 40.585 4.035 ( 0.000 12.053 32.118) 34.305 5.593 ( 0.000 7.448 51.865) 52.397 6.511 ( 0.000 -7.943 3.239) 8.578 6.656 ( 0.000 -6.276 6.660) 9.151 7.306 ( 0.000 -1.249 24.435) 24.467 8.333 ( 0.000 0.282 0.248) 0.375 8.388 ( 0.000 -6.476 -0.069) 6.477 9.052 ( 0.000 2.179 28.342) 28.425 9.290 ( 0.000 0.593 17.249) 17.259 9.333 ( 0.000 3.305 15.491) 15.839 11.231 ( 0.000 -20.457 5.728) 21.244 11.391 ( 0.000 5.233 3.270) 6.171 12.043 ( 0.000 12.487 -8.391) 15.044 12.789 ( 0.000 -3.572 2.883) 4.590 13.290 ( 0.000 7.413 -3.061) 8.020 13.876 ( 0.000 0.218 -8.986) 8.989 14.471 ( 0.000 -8.353 -15.240) 17.379 ======================= Grid point 408 (128/270) ======================= q-point: ( 0.10 0.11 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 9.840 29.694 24.136) 39.510 3.828 ( -16.163 11.731 31.599) 37.382 5.814 ( 17.206 6.949 42.534) 46.406 6.500 ( -1.036 -6.502 7.873) 10.263 6.632 ( -1.887 -5.507 4.048) 7.091 7.282 ( -2.574 -1.907 24.805) 25.011 8.294 ( -3.691 -1.200 0.074) 3.882 8.356 ( -2.737 -6.004 0.609) 6.626 9.063 ( 1.085 1.771 27.040) 27.120 9.276 ( -1.112 -0.595 16.753) 16.800 9.369 ( 3.152 4.909 17.779) 18.712 11.045 ( -14.897 -10.953 10.842) 21.434 11.463 ( 4.784 -0.989 1.881) 5.235 12.084 ( 3.078 9.966 -9.962) 14.424 12.827 ( 4.006 -3.736 2.777) 6.142 13.324 ( 3.332 6.992 -3.133) 8.355 13.862 ( -1.371 0.698 -8.672) 8.807 14.437 ( -3.351 -8.156 -14.566) 17.026 ======================= Grid point 409 (129/270) ======================= q-point: ( 0.20 0.11 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( -1.789 13.621 24.406) 28.007 3.678 ( 12.300 23.195 19.053) 32.439 6.015 ( -1.501 1.145 14.366) 14.489 6.469 ( -4.770 -1.848 8.196) 9.661 6.654 ( 7.965 1.466 17.650) 19.420 7.206 ( -4.740 -5.322 25.575) 26.549 8.211 ( -4.104 -3.970 0.058) 5.711 8.306 ( -1.819 -6.092 2.460) 6.817 9.089 ( 1.380 1.150 25.371) 25.435 9.248 ( -1.803 -1.440 17.408) 17.560 9.447 ( 4.774 6.412 20.450) 21.957 10.723 ( -16.798 -5.096 17.700) 24.928 11.566 ( 5.907 -2.044 1.106) 6.348 12.125 ( 0.694 6.598 -10.580) 12.488 12.949 ( 8.276 -3.960 1.754) 9.340 13.411 ( 5.139 5.819 -3.469) 8.503 13.824 ( -2.410 1.981 -7.777) 8.380 14.342 ( -6.268 -7.610 -12.800) 16.157 ======================= Grid point 410 (130/270) ======================= q-point: ( 0.30 0.11 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( 11.289 7.552 11.618) 17.874 4.051 ( 21.538 23.375 11.456) 33.786 5.800 ( -17.356 -5.037 3.155) 18.346 6.245 ( -17.607 10.578 -3.601) 20.854 6.877 ( 10.728 1.537 27.961) 29.988 7.133 ( -2.044 -8.831 24.048) 25.700 8.159 ( -0.678 -6.626 1.735) 6.883 8.292 ( 0.165 -6.237 4.413) 7.642 9.109 ( 0.502 0.614 25.111) 25.124 9.204 ( -2.623 -1.696 18.356) 18.620 9.559 ( 6.713 6.627 22.286) 24.200 10.410 ( -14.902 -1.304 22.248) 26.810 11.693 ( 6.865 -1.992 0.286) 7.154 12.111 ( -2.024 3.965 -8.611) 9.693 13.143 ( 11.191 -3.869 0.052) 11.841 13.515 ( 5.201 3.750 -4.197) 7.663 13.772 ( -2.800 3.784 -6.466) 7.998 14.196 ( -8.531 -6.740 -10.576) 15.167 ======================= Grid point 411 (131/270) ======================= q-point: ( 0.40 0.11 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( 24.341 4.487 -0.653) 24.760 4.445 ( 15.291 19.510 1.850) 24.857 5.430 ( -16.717 -4.456 3.395) 17.631 5.824 ( -23.682 15.757 -1.153) 28.469 7.024 ( 4.703 -3.408 21.960) 22.715 7.115 ( -0.619 -6.053 20.361) 21.251 8.188 ( 3.209 -7.585 4.772) 9.518 8.293 ( -0.629 -6.273 5.485) 8.356 9.111 ( -0.079 -0.034 24.828) 24.828 9.153 ( -2.358 -1.290 20.037) 20.216 9.713 ( 8.995 5.442 23.520) 25.762 10.140 ( -12.687 1.378 24.172) 27.334 11.829 ( 6.790 -1.308 -1.073) 6.998 12.050 ( -4.087 1.765 -5.760) 7.280 13.367 ( 10.961 -2.705 -1.366) 11.372 13.596 ( 1.841 0.157 -4.781) 5.126 13.733 ( 0.281 5.215 -5.510) 7.592 14.013 ( -9.808 -5.160 -8.568) 14.009 ======================= Grid point 412 (132/270) ======================= q-point: (-0.50 0.11 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.412 ( -19.389 6.170 -6.557) 21.377 4.412 ( 19.389 6.170 -6.557) 21.377 5.402 ( -15.474 10.960 5.182) 19.658 5.402 ( 15.474 10.960 5.182) 19.658 7.088 ( -2.213 -4.991 18.871) 19.645 7.088 ( 2.213 -4.991 18.871) 19.645 8.256 ( -3.070 -6.932 5.937) 9.629 8.256 ( 3.070 -6.932 5.937) 9.629 9.118 ( -1.054 -0.647 22.780) 22.813 9.118 ( 1.054 -0.647 22.780) 22.813 9.909 ( -10.917 3.545 24.307) 26.881 9.909 ( 10.917 3.545 24.307) 26.881 11.953 ( -5.737 -0.025 -3.120) 6.531 11.953 ( 5.737 -0.025 -3.120) 6.531 13.543 ( -6.422 -0.106 -2.864) 7.032 13.543 ( 6.422 -0.106 -2.864) 7.032 13.828 ( -8.293 -1.030 -7.046) 10.931 13.828 ( 8.293 -1.030 -7.046) 10.931 ======================= Grid point 418 (133/270) ======================= q-point: ( 0.00 0.22 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 0.000 38.114 20.498) 43.276 4.351 ( 0.000 20.504 30.153) 36.464 5.831 ( 0.000 18.253 47.847) 51.210 6.282 ( 0.000 -15.754 10.704) 19.047 6.475 ( 0.000 -12.702 9.472) 15.845 7.304 ( 0.000 0.863 19.451) 19.471 8.234 ( 0.000 -8.981 -1.182) 9.058 8.295 ( 0.000 -4.757 0.063) 4.757 9.112 ( 0.000 4.025 26.613) 26.916 9.305 ( 0.000 0.903 17.774) 17.797 9.437 ( 0.000 7.687 17.173) 18.815 10.825 ( 0.000 -21.278 12.504) 24.680 11.535 ( 0.000 9.782 2.359) 10.062 12.270 ( 0.000 11.682 -10.994) 16.042 12.686 ( 0.000 -7.153 3.293) 7.875 13.479 ( 0.000 11.801 -3.690) 12.365 13.843 ( 0.000 -5.438 -8.039) 9.706 14.273 ( 0.000 -10.721 -15.350) 18.723 ======================= Grid point 419 (134/270) ======================= q-point: ( 0.10 0.22 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( 7.840 37.528 19.304) 42.924 4.139 ( -16.861 20.764 29.892) 40.112 6.015 ( 11.640 13.099 33.776) 38.052 6.342 ( 6.913 -8.937 19.198) 22.276 6.426 ( -2.949 -15.592 8.323) 17.918 7.287 ( -2.224 2.284 19.639) 19.896 8.199 ( -3.213 -8.812 -0.796) 9.413 8.240 ( -5.258 -5.699 -0.465) 7.768 9.112 ( 0.030 3.169 25.714) 25.909 9.274 ( -2.303 0.291 17.831) 17.982 9.493 ( 4.647 8.100 18.807) 20.998 10.751 ( -7.138 -17.834 15.111) 24.440 11.542 ( 1.057 8.271 2.260) 8.639 12.280 ( 0.375 10.402 -11.948) 15.846 12.722 ( 3.852 -7.102 3.185) 8.685 13.503 ( 2.368 11.224 -3.597) 12.021 13.842 ( -0.115 -4.664 -7.875) 9.153 14.243 ( -2.971 -10.488 -14.504) 18.143 ======================= Grid point 420 (135/270) ======================= q-point: ( 0.20 0.22 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( -9.514 21.757 23.728) 33.570 4.247 ( 14.833 33.804 15.849) 40.173 6.018 ( -10.930 -2.121 7.240) 13.281 6.378 ( 1.913 -10.843 9.138) 14.308 6.655 ( 18.122 1.939 30.895) 35.870 7.182 ( -9.168 4.049 20.067) 22.431 8.105 ( -6.937 -6.944 -1.406) 9.915 8.143 ( -2.503 -10.535 1.384) 10.917 9.117 ( 0.421 1.554 24.188) 24.241 9.226 ( -2.608 -0.856 18.636) 18.837 9.595 ( 5.542 8.765 21.280) 23.672 10.572 ( -10.418 -10.490 20.174) 25.011 11.588 ( 3.729 4.859 1.862) 6.402 12.264 ( -2.183 7.496 -11.314) 13.747 12.843 ( 8.342 -6.626 1.502) 10.759 13.563 ( 3.406 9.631 -3.566) 10.820 13.838 ( -0.259 -2.528 -7.374) 7.799 14.158 ( -5.575 -9.838 -12.285) 16.697 ======================= Grid point 421 (136/270) ======================= q-point: ( 0.30 0.22 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 7.225 18.673 12.426) 23.564 4.584 ( 18.812 31.061 10.411) 37.776 5.704 ( -19.009 -5.535 2.975) 20.021 6.401 ( -2.703 1.912 -1.710) 3.726 6.916 ( -1.305 2.581 22.487) 22.672 6.983 ( -0.209 -2.729 27.962) 28.095 7.993 ( -3.355 -10.527 -0.326) 11.054 8.127 ( 0.284 -10.628 4.486) 11.539 9.121 ( -0.265 0.457 24.039) 24.045 9.172 ( -2.730 -1.590 18.483) 18.752 9.709 ( 6.190 8.679 23.538) 25.839 10.365 ( -10.326 -3.529 24.068) 26.426 11.685 ( 6.054 1.960 1.235) 6.482 12.196 ( -4.562 4.596 -8.318) 10.542 13.040 ( 11.452 -6.278 -0.769) 13.082 13.624 ( 2.403 6.994 -3.897) 8.359 13.832 ( -0.366 0.496 -6.547) 6.576 14.030 ( -7.276 -8.665 -9.486) 14.765 ======================= Grid point 422 (137/270) ======================= q-point: ( 0.40 0.22 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 20.706 13.509 2.040) 24.807 4.877 ( 2.468 23.459 -0.542) 23.595 5.398 ( -3.493 1.598 6.527) 7.574 6.156 ( -21.268 18.551 -2.629) 28.344 6.859 ( 2.724 -12.791 21.026) 24.761 7.037 ( -1.240 -2.484 19.747) 19.941 7.993 ( 2.983 -12.512 3.698) 13.383 8.125 ( -1.144 -11.047 5.968) 12.608 9.105 ( -0.865 -0.658 23.509) 23.534 9.130 ( -1.593 -0.870 19.152) 19.238 9.841 ( 7.298 7.525 25.217) 27.309 10.172 ( -9.415 1.679 25.882) 27.593 11.817 ( 7.185 0.615 0.050) 7.211 12.090 ( -6.152 2.294 -4.906) 8.196 13.277 ( 12.323 -6.077 -2.393) 13.947 13.633 ( -2.453 1.691 -4.377) 5.295 13.825 ( -0.254 3.318 -5.571) 6.489 13.894 ( -5.678 -5.077 -7.080) 10.399 ======================= Grid point 423 (138/270) ======================= q-point: (-0.50 0.22 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( -24.169 9.948 -3.540) 26.375 4.570 ( 24.169 9.948 -3.540) 26.375 5.688 ( -23.813 18.432 4.319) 30.421 5.688 ( 23.813 18.432 4.319) 30.421 6.957 ( -5.727 -8.515 16.921) 19.790 6.957 ( 5.727 -8.515 16.921) 19.790 8.072 ( -4.037 -12.153 5.933) 14.114 8.072 ( 4.037 -12.153 5.933) 14.114 9.105 ( -0.856 -0.668 21.407) 21.434 9.105 ( 0.856 -0.668 21.407) 21.434 9.996 ( -8.465 5.239 26.089) 27.924 9.996 ( 8.465 5.239 26.089) 27.924 11.959 ( -7.104 0.841 -2.004) 7.429 11.959 ( 7.104 0.841 -2.004) 7.429 13.504 ( -10.058 -4.617 -3.715) 11.674 13.504 ( 10.058 -4.617 -3.715) 11.674 13.831 ( -1.193 1.772 -5.699) 6.086 13.831 ( 1.193 1.772 -5.699) 6.086 ======================= Grid point 429 (139/270) ======================= q-point: ( 0.00 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.586 ( 0.000 29.239 20.532) 35.727 4.781 ( 0.000 23.986 27.454) 36.456 5.943 ( 0.000 -19.223 16.269) 25.184 6.164 ( 0.000 -14.817 20.097) 24.969 6.299 ( 0.000 24.830 32.673) 41.037 7.312 ( 0.000 -1.106 19.252) 19.284 8.074 ( 0.000 -7.382 -2.666) 7.848 8.158 ( 0.000 -9.065 -1.367) 9.168 9.195 ( 0.000 4.463 24.721) 25.121 9.319 ( 0.000 0.399 18.769) 18.774 9.617 ( 0.000 11.079 18.370) 21.453 10.446 ( 0.000 -18.569 17.055) 25.213 11.752 ( 0.000 12.897 1.387) 12.971 12.458 ( 0.000 -0.184 -9.010) 9.012 12.567 ( 0.000 3.535 -0.408) 3.558 13.612 ( 0.000 -18.333 -10.007) 20.887 13.710 ( 0.000 11.891 -4.806) 12.825 14.130 ( 0.000 -4.638 -12.047) 12.909 ======================= Grid point 430 (140/270) ======================= q-point: ( 0.10 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.548 ( -10.059 23.964 25.318) 36.283 4.707 ( 2.038 31.600 20.470) 37.706 5.974 ( 3.387 -17.981 15.541) 24.006 6.098 ( -8.047 -17.794 11.636) 22.733 6.475 ( 16.300 22.506 36.797) 46.111 7.331 ( 1.205 0.949 19.223) 19.284 8.031 ( -4.243 -8.218 -2.721) 9.640 8.104 ( -5.363 -8.264 -2.101) 10.073 9.176 ( -1.725 3.492 23.934) 24.249 9.281 ( -3.176 0.223 19.091) 19.354 9.669 ( 4.459 10.230 19.814) 22.741 10.418 ( -2.655 -16.798 18.663) 25.249 11.745 ( -0.553 12.603 1.643) 12.721 12.433 ( -2.491 0.053 -8.744) 9.092 12.620 ( 5.131 2.594 -1.273) 5.888 13.620 ( 0.675 -17.730 -10.053) 20.393 13.724 ( 1.462 11.037 -4.412) 11.976 14.110 ( -1.990 -3.939 -11.053) 11.901 ======================= Grid point 431 (141/270) ======================= q-point: ( 0.20 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( -9.456 26.679 21.102) 35.305 4.867 ( 12.188 29.902 16.338) 36.188 5.872 ( -14.332 -15.341 7.062) 22.150 6.079 ( 7.292 -16.356 13.327) 22.323 6.810 ( 15.577 13.350 32.077) 38.076 7.304 ( -5.824 6.607 17.318) 19.429 7.920 ( -7.008 -11.356 -1.572) 13.436 7.973 ( -6.141 -7.380 -2.706) 9.975 9.143 ( -1.304 1.254 22.392) 22.465 9.212 ( -3.719 -0.785 19.999) 20.357 9.767 ( 5.319 9.257 22.381) 24.797 10.353 ( -3.720 -11.948 22.311) 25.580 11.743 ( 0.717 11.030 1.838) 11.205 12.362 ( -4.655 0.205 -7.505) 8.834 12.758 ( 8.708 0.836 -2.834) 9.195 13.632 ( 0.376 -15.957 -10.040) 18.857 13.763 ( 2.310 8.585 -3.694) 9.627 14.055 ( -3.501 -1.892 -8.462) 9.351 ======================= Grid point 432 (142/270) ======================= q-point: ( 0.30 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.246 ( 3.024 25.093 11.820) 27.902 5.162 ( 17.373 28.215 12.425) 35.388 5.554 ( -17.423 -11.270 3.363) 21.021 6.256 ( 10.515 -13.629 9.697) 19.757 7.016 ( -0.287 6.098 18.748) 19.717 7.069 ( -13.076 10.610 19.150) 25.500 7.773 ( -5.973 -12.025 -2.262) 13.616 7.916 ( -0.827 -11.163 3.682) 11.784 9.123 ( -1.316 -0.200 22.786) 22.825 9.144 ( -2.564 -1.333 18.780) 19.001 9.873 ( 5.465 8.404 24.860) 26.805 10.277 ( -3.993 -5.603 25.684) 26.590 11.780 ( 3.120 7.955 1.582) 8.690 12.255 ( -6.210 0.279 -5.334) 8.191 12.952 ( 10.849 -1.273 -3.761) 11.553 13.622 ( -1.871 -13.679 -9.490) 16.754 13.809 ( 2.285 5.589 -3.352) 6.906 13.981 ( -3.683 1.060 -5.429) 6.645 ======================= Grid point 433 (143/270) ======================= q-point: ( 0.40 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.422 ( 14.211 18.645 3.417) 23.691 5.158 ( -19.528 2.712 -1.055) 19.744 5.584 ( 22.241 19.302 10.088) 31.129 6.447 ( 1.858 3.953 -2.762) 5.168 6.652 ( -14.314 -0.651 20.538) 25.042 6.999 ( -7.861 -1.454 16.235) 18.096 7.738 ( 2.218 -13.406 2.754) 13.865 7.891 ( -2.469 -13.270 6.284) 14.888 9.092 ( -0.845 -0.487 21.539) 21.561 9.117 ( -1.063 -0.647 19.322) 19.362 9.982 ( 5.639 7.068 26.727) 28.215 10.193 ( -4.718 0.258 27.444) 27.848 11.865 ( 5.434 4.522 0.808) 7.116 12.124 ( -6.990 0.683 -2.836) 7.575 13.173 ( 11.329 -3.887 -4.350) 12.743 13.544 ( -6.218 -10.732 -7.711) 14.605 13.850 ( 1.877 3.575 -3.401) 5.279 13.921 ( -2.342 3.008 -3.723) 5.329 ======================= Grid point 434 (144/270) ======================= q-point: (-0.50 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.764 ( -19.641 9.764 -0.875) 21.952 4.764 ( 19.641 9.764 -0.875) 21.952 6.062 ( -25.558 19.848 5.182) 32.772 6.062 ( 25.558 19.848 5.182) 32.772 6.784 ( -12.550 -9.115 13.542) 20.591 6.784 ( 12.550 -9.115 13.542) 20.591 7.816 ( -4.653 -14.023 5.940) 15.923 7.816 ( 4.653 -14.023 5.940) 15.923 9.095 ( -0.967 -0.273 20.287) 20.312 9.095 ( 0.967 -0.273 20.287) 20.312 10.092 ( -5.468 4.516 27.664) 28.559 10.092 ( 5.468 4.516 27.664) 28.559 11.987 ( -6.795 1.976 -0.665) 7.108 11.987 ( 6.795 1.976 -0.665) 7.108 13.383 ( -9.818 -7.104 -5.560) 13.333 13.383 ( 9.818 -7.104 -5.560) 13.333 13.884 ( -1.665 3.144 -3.454) 4.959 13.884 ( 1.665 3.144 -3.454) 4.959 ======================= Grid point 440 (145/270) ======================= q-point: ( 0.00 0.44 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.058 ( 0.000 20.931 22.364) 30.631 5.201 ( 0.000 15.481 24.787) 29.225 5.607 ( 0.000 -11.698 18.834) 22.172 5.791 ( 0.000 -20.729 18.534) 27.807 6.831 ( 0.000 26.145 29.883) 39.705 7.204 ( 0.000 -12.075 24.233) 27.075 7.974 ( 0.000 -2.588 -4.285) 5.006 8.001 ( 0.000 -5.782 -4.227) 7.163 9.271 ( 0.000 3.276 22.556) 22.792 9.313 ( 0.000 -1.188 20.402) 20.437 9.849 ( 0.000 13.328 19.143) 23.326 10.123 ( 0.000 -15.649 19.018) 24.629 12.011 ( 0.000 14.005 0.752) 14.025 12.269 ( 0.000 -12.939 0.219) 12.941 12.835 ( 0.000 18.288 -10.867) 21.273 13.219 ( 0.000 -21.571 -11.437) 24.415 13.910 ( 0.000 8.977 -6.457) 11.058 14.045 ( 0.000 -5.326 -8.714) 10.212 ======================= Grid point 441 (146/270) ======================= q-point: ( 0.10 0.44 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.003 ( -6.959 23.063 23.000) 33.307 5.191 ( 1.570 15.309 21.377) 26.340 5.606 ( -0.855 -14.511 17.860) 23.028 5.752 ( -2.107 -18.522 16.573) 24.943 6.932 ( 8.775 22.849 28.870) 37.849 7.259 ( 4.762 -10.275 23.948) 26.491 7.922 ( -5.263 -2.213 -5.117) 7.667 7.961 ( -4.156 -5.743 -4.522) 8.409 9.237 ( -3.186 2.758 22.101) 22.499 9.274 ( -3.560 -1.079 20.475) 20.810 9.878 ( 2.711 11.910 20.492) 23.857 10.124 ( 0.239 -14.199 20.333) 24.801 12.002 ( -0.818 14.125 0.909) 14.178 12.263 ( -0.795 -12.898 -0.159) 12.923 12.858 ( 2.347 17.683 -10.561) 20.730 13.234 ( 1.437 -21.213 -11.314) 24.084 13.914 ( 0.306 8.411 -5.875) 10.265 14.037 ( -0.761 -4.732 -7.921) 9.258 ======================= Grid point 442 (147/270) ======================= q-point: ( 0.20 0.44 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.837 ( -7.837 27.865 18.018) 34.096 5.256 ( 2.787 -2.240 17.367) 17.731 5.551 ( -1.965 -2.292 13.049) 13.393 5.797 ( 6.587 -15.319 15.672) 22.884 7.103 ( 7.100 15.952 25.374) 30.801 7.336 ( 1.332 -5.900 22.250) 23.058 7.775 ( -9.232 -1.572 -6.150) 11.204 7.841 ( -7.574 -6.313 -4.746) 10.943 9.167 ( -3.328 1.345 21.234) 21.535 9.193 ( -4.299 -1.263 20.729) 21.208 9.945 ( 3.889 9.565 23.240) 25.430 10.136 ( 0.998 -10.765 23.343) 25.725 11.983 ( -0.965 13.644 1.135) 13.725 12.233 ( -2.356 -11.742 -0.740) 11.999 12.928 ( 4.800 15.220 -9.513) 18.579 13.271 ( 2.196 -19.836 -10.782) 22.684 13.920 ( 0.303 6.924 -4.535) 8.282 14.016 ( -1.410 -3.181 -6.005) 6.941 ======================= Grid point 443 (148/270) ======================= q-point: ( 0.30 0.44 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.743 ( -1.380 26.520 10.162) 28.434 5.212 ( -6.417 -21.621 8.040) 23.944 5.655 ( 12.133 20.547 13.100) 27.221 5.985 ( 12.223 -14.932 14.180) 23.946 7.149 ( -4.657 7.837 16.090) 18.493 7.237 ( -11.784 2.678 15.964) 20.022 7.604 ( -6.509 -2.273 -3.332) 7.658 7.712 ( -4.489 -10.019 1.084) 11.033 9.118 ( -2.044 -0.110 21.315) 21.413 9.124 ( -2.089 -0.731 19.716) 19.840 10.024 ( 4.097 7.538 25.892) 27.276 10.159 ( 1.187 -6.730 26.280) 27.154 11.970 ( -0.240 11.322 1.146) 11.382 12.171 ( -3.751 -8.718 -0.810) 9.525 13.041 ( 6.449 10.541 -7.930) 14.683 13.311 ( 1.601 -16.702 -9.606) 19.334 13.923 ( 0.005 5.025 -3.196) 5.955 13.984 ( -1.704 -1.339 -4.000) 4.549 ======================= Grid point 444 (149/270) ======================= q-point: ( 0.40 0.44 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 4.723 18.013 3.432) 18.936 5.063 ( -8.106 -10.935 2.055) 13.766 5.971 ( 19.267 18.609 11.637) 29.205 6.268 ( 16.339 -13.564 12.864) 24.828 6.850 ( -21.562 10.983 4.836) 24.677 6.975 ( -15.825 -2.355 10.386) 19.075 7.553 ( 0.574 -3.423 3.909) 5.228 7.647 ( -2.919 -11.183 6.154) 13.094 9.091 ( -0.452 0.402 20.302) 20.311 9.103 ( -0.597 -0.796 19.578) 19.603 10.100 ( 3.464 5.178 27.757) 28.448 10.173 ( -0.009 -2.449 28.082) 28.189 11.979 ( 1.295 6.893 0.862) 7.067 12.093 ( -4.029 -4.229 -0.336) 5.851 13.169 ( 6.290 4.139 -6.690) 10.072 13.322 ( -0.785 -11.089 -7.960) 13.673 13.923 ( 0.047 3.119 -2.373) 3.920 13.953 ( -1.448 0.088 -2.733) 3.094 ======================= Grid point 445 (150/270) ======================= q-point: (-0.50 0.44 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.906 ( -7.645 4.315 0.483) 8.791 4.906 ( 7.645 4.315 0.483) 8.791 6.384 ( -21.268 12.097 12.674) 27.555 6.384 ( 21.268 12.097 12.674) 27.555 6.634 ( -16.862 -6.120 4.384) 18.466 6.634 ( 16.862 -6.120 4.384) 18.466 7.590 ( -2.702 -7.819 6.361) 10.435 7.590 ( 2.702 -7.819 6.361) 10.435 9.093 ( -0.451 -0.027 19.670) 19.676 9.093 ( 0.451 -0.027 19.670) 19.676 10.154 ( -1.933 1.775 28.540) 28.661 10.154 ( 1.933 1.775 28.540) 28.661 12.022 ( -3.029 1.258 0.321) 3.295 12.022 ( 3.029 1.258 0.321) 3.295 13.274 ( -4.076 -3.484 -6.680) 8.566 13.274 ( 4.076 -3.484 -6.680) 8.566 13.930 ( -0.777 1.386 -2.248) 2.753 13.930 ( 0.777 1.386 -2.248) 2.753 ======================= Grid point 495 (151/270) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 0.000 0.000 25.847) 25.847 4.476 ( 0.000 0.000 21.130) 21.130 6.525 ( 0.000 0.000 44.210) 44.210 6.602 ( 0.000 0.000 2.367) 2.367 6.801 ( 0.000 0.000 2.811) 2.811 7.872 ( 0.000 0.000 24.918) 24.918 8.300 ( 0.000 0.000 -1.764) 1.764 8.459 ( 0.000 0.000 0.056) 0.056 9.558 ( 0.000 0.000 21.815) 21.815 9.584 ( 0.000 0.000 12.314) 12.314 9.597 ( 0.000 0.000 13.102) 13.102 11.423 ( 0.000 0.000 4.227) 4.227 11.522 ( 0.000 0.000 1.950) 1.950 11.699 ( 0.000 0.000 -10.074) 10.074 12.883 ( 0.000 0.000 3.149) 3.149 13.168 ( 0.000 0.000 -1.827) 1.827 13.674 ( 0.000 0.000 -9.383) 9.383 14.237 ( 0.000 0.000 -15.522) 15.522 ======================= Grid point 496 (152/270) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( 7.594 0.000 23.903) 25.081 4.276 ( -17.830 0.000 22.004) 28.321 6.358 ( -8.636 0.000 12.060) 14.834 6.715 ( -8.919 0.000 0.933) 8.968 6.882 ( 17.860 0.000 29.651) 34.615 7.847 ( -2.669 0.000 23.925) 24.074 8.279 ( -1.738 0.000 -1.272) 2.154 8.442 ( -1.207 0.000 1.165) 1.677 9.518 ( -1.301 0.000 17.636) 17.683 9.585 ( 0.046 0.000 12.645) 12.645 9.680 ( 5.477 0.000 17.713) 18.540 11.290 ( -11.015 0.000 6.121) 12.601 11.548 ( 2.587 0.000 1.681) 3.086 11.766 ( 4.627 0.000 -10.169) 11.172 12.921 ( 3.841 0.000 3.109) 4.942 13.202 ( 3.288 0.000 -2.174) 3.941 13.663 ( -1.118 0.000 -9.067) 9.136 14.214 ( -2.283 0.000 -14.886) 15.060 ======================= Grid point 497 (153/270) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( 13.019 0.000 18.581) 22.688 3.905 ( -16.972 0.000 18.499) 25.105 6.175 ( -10.667 0.000 3.494) 11.225 6.443 ( -18.800 0.000 -3.368) 19.099 7.208 ( 13.806 0.000 29.178) 32.279 7.769 ( -4.962 0.000 21.643) 22.204 8.256 ( 0.163 0.000 1.169) 1.180 8.432 ( 0.471 0.000 3.675) 3.705 9.520 ( 1.349 0.000 17.327) 17.380 9.583 ( -0.385 0.000 13.520) 13.525 9.790 ( 5.645 0.000 19.004) 19.825 11.048 ( -13.030 0.000 10.699) 16.860 11.618 ( 4.442 0.000 0.893) 4.531 11.844 ( 3.134 0.000 -10.247) 10.715 13.031 ( 7.209 0.000 2.651) 7.681 13.287 ( 5.095 0.000 -3.066) 5.946 13.632 ( -1.947 0.000 -8.189) 8.418 14.147 ( -4.524 0.000 -13.196) 13.950 ======================= Grid point 498 (154/270) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( -2.249 0.000 7.990) 8.300 4.050 ( 14.252 0.000 10.558) 17.736 5.930 ( -14.223 0.000 1.882) 14.346 5.999 ( -25.357 0.000 -6.094) 26.079 7.396 ( 5.695 0.000 22.078) 22.800 7.667 ( -5.190 0.000 19.340) 20.024 8.302 ( 4.329 0.000 5.760) 7.205 8.455 ( 1.455 0.000 5.573) 5.760 9.554 ( 1.617 0.000 18.367) 18.438 9.570 ( -0.830 0.000 14.940) 14.963 9.911 ( 7.169 0.000 18.864) 20.180 10.792 ( -12.926 0.000 14.611) 19.508 11.713 ( 5.021 0.000 -0.388) 5.036 11.890 ( 1.518 0.000 -8.940) 9.068 13.195 ( 9.161 0.000 1.396) 9.267 13.394 ( 5.755 0.000 -4.268) 7.165 13.589 ( -2.433 0.000 -6.913) 7.329 14.037 ( -6.713 0.000 -10.943) 12.838 ======================= Grid point 499 (155/270) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.827 ( 14.032 0.000 -4.437) 14.716 4.269 ( 5.299 0.000 -1.166) 5.426 5.532 ( -18.664 0.000 -2.165) 18.789 5.635 ( -14.970 0.000 3.503) 15.374 7.464 ( 2.184 0.000 17.061) 17.200 7.574 ( -4.101 0.000 17.312) 17.792 8.397 ( 4.569 0.000 8.101) 9.301 8.476 ( 0.443 0.000 6.677) 6.692 9.557 ( -0.282 0.000 16.907) 16.910 9.570 ( -0.045 0.000 19.265) 19.265 10.081 ( 10.133 0.000 18.202) 20.832 10.542 ( -12.566 0.000 16.839) 21.011 11.806 ( 4.231 0.000 -2.151) 4.747 11.901 ( -0.386 0.000 -6.735) 6.746 13.365 ( 7.313 0.000 -0.833) 7.360 13.523 ( 7.869 0.000 -5.383) 9.534 13.537 ( -2.876 0.000 -5.385) 6.105 13.885 ( -8.700 0.000 -8.575) 12.216 ======================= Grid point 500 (156/270) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( -15.592 0.000 -10.544) 18.823 4.157 ( 15.592 0.000 -10.544) 18.823 5.405 ( -5.707 0.000 4.865) 7.499 5.405 ( 5.707 0.000 4.865) 7.499 7.508 ( -2.648 0.000 16.108) 16.324 7.508 ( 2.648 0.000 16.108) 16.324 8.463 ( -1.949 0.000 7.675) 7.919 8.463 ( 1.949 0.000 7.675) 7.919 9.561 ( -0.566 0.000 18.696) 18.705 9.561 ( 0.566 0.000 18.696) 18.705 10.301 ( -11.952 0.000 17.746) 21.396 10.301 ( 11.952 0.000 17.746) 21.396 11.873 ( -2.481 0.000 -4.332) 4.993 11.873 ( 2.481 0.000 -4.332) 4.993 13.472 ( -4.020 0.000 -3.513) 5.339 13.472 ( 4.020 0.000 -3.513) 5.339 13.701 ( -9.745 0.000 -6.504) 11.716 13.701 ( 9.745 0.000 -6.504) 11.716 ======================= Grid point 506 (157/270) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( 0.000 25.412 23.207) 34.414 4.588 ( 0.000 11.457 21.267) 24.157 6.561 ( 0.000 3.741 39.974) 40.149 6.579 ( 0.000 -2.951 3.861) 4.859 6.777 ( 0.000 -2.335 7.295) 7.660 7.784 ( 0.000 -7.094 20.237) 21.444 8.340 ( 0.000 2.264 1.735) 2.852 8.385 ( 0.000 -7.328 -0.294) 7.334 9.563 ( 0.000 1.032 20.733) 20.758 9.606 ( 0.000 0.880 13.187) 13.216 9.630 ( 0.000 4.335 13.206) 13.900 11.318 ( 0.000 -14.874 2.688) 15.115 11.465 ( 0.000 4.438 3.842) 5.870 11.854 ( 0.000 9.993 -9.716) 13.938 12.857 ( 0.000 -3.034 3.618) 4.722 13.233 ( 0.000 6.767 -2.396) 7.179 13.692 ( 0.000 1.396 -8.792) 8.902 14.151 ( 0.000 -8.653 -15.578) 17.820 ======================= Grid point 507 (158/270) ======================= q-point: ( 0.10 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 6.673 24.641 21.615) 33.450 4.384 ( -18.092 11.084 22.087) 30.627 6.364 ( -9.050 0.373 10.350) 13.754 6.690 ( -7.207 -3.238 1.719) 8.086 6.905 ( 17.967 2.579 32.074) 36.854 7.761 ( -2.537 -7.020 20.063) 21.407 8.294 ( -4.042 -0.257 0.892) 4.147 8.374 ( -0.805 -6.397 1.470) 6.613 9.526 ( -1.790 0.834 16.884) 16.999 9.598 ( 0.209 1.306 14.892) 14.951 9.720 ( 6.077 4.284 16.167) 17.794 11.219 ( -8.592 -8.612 6.185) 13.647 11.508 ( 3.509 0.421 2.437) 4.293 11.874 ( 1.707 8.185 -10.320) 13.281 12.893 ( 3.638 -3.259 3.511) 6.015 13.264 ( 2.986 6.498 -2.650) 7.626 13.684 ( -0.781 1.739 -8.538) 8.748 14.132 ( -1.961 -8.332 -14.896) 17.180 ======================= Grid point 508 (159/270) ======================= q-point: ( 0.20 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( -3.701 16.132 19.376) 25.482 4.046 ( -1.828 17.156 16.252) 23.703 6.158 ( -13.138 -1.572 3.127) 13.597 6.474 ( -14.117 2.127 -2.393) 14.475 7.230 ( 13.198 2.377 28.953) 31.908 7.687 ( -4.620 -7.299 20.400) 22.154 8.217 ( -2.703 -4.475 1.289) 5.384 8.372 ( 0.867 -6.055 4.369) 7.517 9.512 ( 0.107 -0.527 15.417) 15.427 9.600 ( -0.179 1.237 16.591) 16.638 9.845 ( 6.612 5.752 17.797) 19.838 11.020 ( -11.188 -3.369 11.212) 16.194 11.592 ( 4.984 -1.015 1.281) 5.245 11.907 ( 1.488 5.564 -10.464) 11.944 12.998 ( 6.982 -3.785 2.896) 8.453 13.340 ( 4.431 5.699 -3.321) 7.946 13.663 ( -1.310 2.694 -7.805) 8.360 14.073 ( -4.002 -7.495 -13.102) 15.616 ======================= Grid point 509 (160/270) ======================= q-point: ( 0.30 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( -2.812 9.292 9.175) 13.358 4.264 ( 12.813 20.818 8.894) 26.012 5.830 ( -19.635 -5.162 -0.086) 20.303 6.159 ( -17.495 10.859 -3.837) 20.946 7.388 ( 3.400 -1.412 20.299) 20.630 7.597 ( -4.463 -6.233 20.361) 21.757 8.223 ( 3.359 -7.992 5.149) 10.083 8.403 ( 1.838 -5.410 6.491) 8.647 9.519 ( 0.379 -1.924 15.068) 15.195 9.589 ( -0.941 0.348 18.388) 18.415 9.983 ( 7.663 7.019 18.517) 21.233 10.795 ( -11.534 0.106 15.170) 19.058 11.697 ( 5.543 -0.946 0.043) 5.623 11.928 ( 0.507 3.647 -9.021) 9.744 13.161 ( 9.413 -4.143 1.494) 10.393 13.426 ( 4.183 4.206 -4.248) 7.296 13.635 ( -1.399 4.098 -6.705) 7.982 13.974 ( -6.098 -6.370 -10.771) 13.920 ======================= Grid point 510 (161/270) ======================= q-point: ( 0.40 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( 13.631 7.796 -2.764) 15.944 4.438 ( 1.401 16.388 -2.865) 16.696 5.482 ( -11.485 -1.206 2.061) 11.731 5.806 ( -17.897 13.634 -0.174) 22.499 7.418 ( 0.909 -5.498 15.967) 16.911 7.512 ( -4.026 -5.629 17.409) 18.734 8.316 ( 5.152 -8.124 7.826) 12.401 8.426 ( 0.139 -5.342 7.483) 9.195 9.525 ( 0.389 -2.314 16.189) 16.358 9.566 ( -1.323 -1.026 19.065) 19.139 10.151 ( 9.483 6.742 18.688) 22.014 10.570 ( -11.344 2.767 17.468) 21.011 11.801 ( 4.818 -0.250 -1.694) 5.114 11.922 ( -1.162 2.132 -6.576) 7.010 13.350 ( 9.204 -3.248 -0.415) 9.769 13.494 ( 2.309 1.404 -5.005) 5.688 13.617 ( 0.155 5.157 -5.742) 7.719 13.836 ( -7.817 -4.854 -8.476) 12.510 ======================= Grid point 511 (162/270) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( -18.243 8.564 -9.579) 22.314 4.242 ( 18.243 8.564 -9.579) 22.314 5.499 ( -11.426 9.749 4.336) 15.633 5.499 ( 11.426 9.749 4.336) 15.633 7.448 ( -2.350 -6.211 15.580) 16.936 7.448 ( 2.350 -6.211 15.580) 16.936 8.399 ( -2.942 -6.623 7.916) 10.732 8.399 ( 2.942 -6.623 7.916) 10.732 9.540 ( -1.179 -1.936 18.056) 18.197 9.540 ( 1.179 -1.936 18.056) 18.197 10.352 ( -10.814 5.042 18.450) 21.972 10.352 ( 10.814 5.042 18.450) 21.972 11.880 ( -3.152 0.820 -3.969) 5.134 11.880 ( 3.152 0.820 -3.969) 5.134 13.484 ( -3.746 0.231 -2.965) 4.783 13.484 ( 3.746 0.231 -2.965) 4.783 13.684 ( -6.758 -0.858 -6.773) 9.606 13.684 ( 6.758 -0.858 -6.773) 9.606 ======================= Grid point 517 (163/270) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 0.000 34.550 18.865) 39.365 4.886 ( 0.000 19.220 21.374) 28.745 6.468 ( 0.000 -9.206 8.148) 12.294 6.598 ( 0.000 -4.326 11.285) 12.086 6.788 ( 0.000 8.266 36.009) 36.946 7.673 ( 0.000 -3.760 13.932) 14.430 8.208 ( 0.000 -10.473 -1.293) 10.553 8.331 ( 0.000 -3.776 5.170) 6.402 9.597 ( 0.000 2.373 20.172) 20.311 9.629 ( 0.000 1.558 13.496) 13.586 9.751 ( 0.000 8.447 12.914) 15.432 11.022 ( 0.000 -15.936 6.792) 17.323 11.589 ( 0.000 8.560 2.832) 9.016 12.035 ( 0.000 9.316 -11.573) 14.857 12.764 ( 0.000 -6.672 4.008) 7.784 13.408 ( 0.000 10.929 -3.172) 11.380 13.674 ( 0.000 -6.474 -8.344) 10.561 13.961 ( 0.000 -8.089 -14.547) 16.645 ======================= Grid point 518 (164/270) ======================= q-point: ( 0.10 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( 5.496 33.932 17.626) 38.630 4.677 ( -18.486 19.492 22.114) 34.795 6.353 ( -8.173 -2.205 7.830) 11.531 6.562 ( -5.343 -10.891 4.999) 13.121 6.996 ( 16.960 7.647 35.758) 40.308 7.655 ( -2.327 -2.985 13.572) 14.090 8.183 ( -2.429 -10.018 -0.834) 10.342 8.272 ( -5.099 -5.267 5.551) 9.196 9.548 ( -3.034 1.418 15.566) 15.922 9.629 ( -0.120 1.669 17.218) 17.299 9.843 ( 7.147 8.422 14.749) 18.427 10.994 ( -2.886 -13.761 8.618) 16.491 11.594 ( 0.716 7.751 2.690) 8.236 12.034 ( -0.072 8.696 -11.708) 14.584 12.794 ( 3.154 -6.918 3.726) 8.467 13.432 ( 2.344 10.500 -3.249) 11.238 13.676 ( 0.167 -5.830 -8.240) 10.095 13.949 ( -1.250 -7.651 -13.720) 15.759 ======================= Grid point 519 (165/270) ======================= q-point: ( 0.20 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( -18.012 19.788 18.862) 32.738 4.554 ( 10.003 32.465 13.947) 36.722 6.116 ( -16.617 -3.356 2.990) 17.214 6.461 ( -4.392 -4.910 1.628) 6.786 7.297 ( 10.465 4.626 27.311) 29.611 7.569 ( -5.420 -3.277 16.387) 17.569 8.087 ( -6.703 -8.756 0.047) 11.027 8.220 ( 0.818 -9.522 7.249) 11.995 9.507 ( -1.195 0.017 14.346) 14.396 9.616 ( -1.311 0.281 18.198) 18.247 9.993 ( 7.879 9.253 16.951) 20.857 10.910 ( -5.509 -7.996 12.785) 16.054 11.628 ( 2.976 5.228 2.001) 6.340 12.031 ( -0.335 7.334 -11.080) 13.292 12.888 ( 6.377 -7.422 2.667) 10.143 13.489 ( 3.124 9.092 -3.526) 10.240 13.680 ( 0.334 -4.051 -7.900) 8.884 13.911 ( -2.732 -6.312 -11.516) 13.413 ======================= Grid point 520 (166/270) ======================= q-point: ( 0.30 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.055 ( -4.742 18.707 9.943) 21.710 4.767 ( 10.204 30.495 6.986) 32.907 5.743 ( -19.309 -4.671 1.021) 19.892 6.347 ( -8.605 7.445 -2.588) 11.669 7.308 ( -5.563 -6.618 14.199) 16.624 7.515 ( -2.883 -0.867 22.718) 22.917 8.021 ( 1.489 -12.756 3.741) 13.376 8.261 ( 2.320 -8.999 8.937) 12.893 9.492 ( -0.523 -0.992 14.206) 14.250 9.579 ( -2.276 -1.315 18.587) 18.772 10.148 ( 7.949 9.642 18.667) 22.463 10.784 ( -7.170 -1.549 16.598) 18.147 11.708 ( 4.929 2.705 0.895) 5.693 12.017 ( -1.201 5.620 -8.869) 10.569 13.042 ( 9.196 -7.746 0.729) 12.046 13.540 ( 1.705 5.815 -4.169) 7.355 13.689 ( 0.530 -1.324 -7.246) 7.385 13.843 ( -4.100 -3.631 -8.514) 10.123 ======================= Grid point 521 (167/270) ======================= q-point: ( 0.40 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.124 ( 11.378 15.629 -0.489) 19.339 4.810 ( -10.403 20.209 -5.825) 23.464 5.525 ( 2.252 6.452 5.960) 9.068 6.101 ( -16.094 16.589 -2.063) 23.205 7.239 ( -0.493 -12.573 14.827) 19.447 7.404 ( -6.932 -5.577 15.551) 17.917 8.111 ( 6.105 -12.857 7.915) 16.285 8.280 ( -0.895 -9.722 9.099) 13.345 9.486 ( 0.082 -1.680 15.291) 15.383 9.535 ( -2.062 -2.029 18.104) 18.334 10.306 ( 8.242 8.938 19.658) 23.114 10.634 ( -8.092 3.483 18.863) 20.819 11.811 ( 5.325 1.709 -0.702) 5.636 11.979 ( -2.771 3.744 -5.835) 7.466 13.237 ( 10.218 -7.723 -1.708) 12.922 13.536 ( -2.761 -1.289 -5.114) 5.952 13.701 ( 0.725 2.166 -6.150) 6.561 13.763 ( -3.454 1.651 -5.568) 6.757 ======================= Grid point 522 (168/270) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( -20.572 13.034 -7.309) 25.426 4.455 ( 20.572 13.034 -7.309) 25.426 5.760 ( -17.165 17.170 3.070) 24.472 5.760 ( 17.165 17.170 3.070) 24.472 7.284 ( -4.709 -10.629 14.143) 18.308 7.284 ( 4.709 -10.629 14.143) 18.308 8.223 ( -4.705 -11.546 8.677) 15.190 8.223 ( 4.705 -11.546 8.677) 15.190 9.500 ( -1.380 -2.015 16.869) 17.045 9.500 ( 1.380 -2.015 16.869) 17.045 10.471 ( -8.435 6.906 19.776) 22.582 10.471 ( 8.435 6.906 19.776) 22.582 11.908 ( -4.392 2.232 -2.968) 5.752 11.908 ( 4.392 2.232 -2.968) 5.752 13.424 ( -8.260 -6.766 -4.122) 11.446 13.424 ( 8.260 -6.766 -4.122) 11.446 13.719 ( -1.256 4.512 -5.035) 6.877 13.719 ( 1.256 4.512 -5.035) 6.877 ======================= Grid point 528 (169/270) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.971 ( 0.000 30.171 17.202) 34.730 5.285 ( 0.000 22.148 20.951) 30.487 6.231 ( 0.000 -15.331 12.515) 19.790 6.416 ( 0.000 -13.436 9.570) 16.496 7.071 ( 0.000 19.563 36.162) 41.115 7.648 ( 0.000 0.822 9.985) 10.018 8.015 ( 0.000 -9.353 -2.786) 9.760 8.192 ( 0.000 -10.708 7.526) 13.088 9.645 ( 0.000 2.429 18.728) 18.885 9.661 ( 0.000 1.611 14.185) 14.276 9.942 ( 0.000 11.549 12.830) 17.262 10.724 ( 0.000 -15.335 10.120) 18.373 11.784 ( 0.000 11.724 1.535) 11.824 12.209 ( 0.000 8.334 -12.675) 15.169 12.624 ( 0.000 -6.617 3.600) 7.533 13.392 ( 0.000 -20.425 -11.060) 23.227 13.618 ( 0.000 10.581 -4.064) 11.335 13.906 ( 0.000 -0.318 -9.625) 9.630 ======================= Grid point 529 (170/270) ======================= q-point: ( 0.10 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.983 ( -2.649 25.793 17.388) 31.219 5.129 ( -9.614 27.864 19.829) 35.525 6.240 ( 1.176 -12.389 11.025) 16.626 6.295 ( -11.544 -14.310 8.000) 20.051 7.210 ( 11.660 14.788 33.089) 38.073 7.653 ( -0.759 2.244 7.937) 8.283 7.989 ( -1.820 -9.823 -1.195) 10.062 8.127 ( -6.525 -10.126 8.029) 14.476 9.582 ( -4.263 2.148 15.045) 15.784 9.654 ( -1.383 0.809 17.190) 17.265 10.026 ( 7.017 10.645 14.520) 19.323 10.728 ( 0.340 -13.944 11.525) 18.094 11.780 ( -0.234 11.546 1.698) 11.673 12.200 ( -0.929 7.883 -12.099) 14.470 12.654 ( 3.070 -6.414 2.891) 7.676 13.401 ( 0.824 -19.721 -10.884) 22.540 13.638 ( 1.972 10.048 -3.899) 10.957 13.903 ( -0.283 0.142 -8.964) 8.970 ======================= Grid point 530 (171/270) ======================= q-point: ( 0.20 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.709 ( -16.789 23.810 16.992) 33.727 5.177 ( 8.373 31.463 13.779) 35.354 5.986 ( -18.727 -11.938 4.133) 22.589 6.295 ( 4.001 -10.898 8.376) 14.316 7.403 ( 3.076 6.482 20.794) 21.997 7.583 ( -3.610 3.832 9.980) 11.284 7.912 ( -10.338 -9.052 -0.404) 13.747 8.027 ( 1.519 -10.326 12.241) 16.086 9.513 ( -2.469 0.768 14.350) 14.581 9.608 ( -3.109 -1.127 17.460) 17.770 10.177 ( 7.956 9.920 17.076) 21.291 10.735 ( 0.280 -9.932 14.850) 17.867 11.782 ( 0.589 10.444 1.768) 10.609 12.173 ( -1.861 6.543 -10.098) 12.176 12.747 ( 6.429 -5.879 0.990) 8.768 13.419 ( 0.856 -17.835 -10.370) 20.649 13.688 ( 2.825 8.727 -3.537) 9.831 13.893 ( -0.801 1.396 -7.235) 7.412 ======================= Grid point 531 (172/270) ======================= q-point: ( 0.30 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( -6.870 23.672 9.234) 26.322 5.352 ( 4.226 28.789 4.684) 29.473 5.623 ( -12.674 -8.022 4.869) 15.769 6.385 ( 4.343 -3.941 4.100) 7.156 7.227 ( -14.665 -0.506 5.093) 15.532 7.545 ( -9.318 2.892 19.716) 21.997 7.765 ( 1.377 -12.896 3.422) 13.413 8.080 ( 1.893 -9.809 12.236) 15.796 9.479 ( -1.246 -0.323 14.283) 14.341 9.544 ( -3.052 -2.185 17.429) 17.828 10.330 ( 7.531 9.296 19.193) 22.617 10.730 ( -1.125 -4.211 18.143) 18.659 11.810 ( 2.401 7.919 1.245) 8.368 12.125 ( -3.057 4.746 -7.040) 9.024 12.902 ( 9.180 -5.621 -1.340) 10.847 13.424 ( -0.637 -15.157 -9.481) 17.890 13.741 ( 2.516 7.148 -3.172) 8.215 13.872 ( -1.289 3.029 -5.134) 6.099 ======================= Grid point 532 (173/270) ======================= q-point: ( 0.40 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.462 ( 6.587 19.148 0.498) 20.256 5.082 ( -20.873 6.336 -6.122) 22.657 5.766 ( 16.727 18.950 8.039) 26.524 6.392 ( -6.568 12.353 -1.674) 14.090 6.996 ( -5.026 -11.112 11.824) 16.987 7.293 ( -13.409 -6.481 11.503) 18.818 7.864 ( 6.247 -11.795 9.708) 16.505 8.073 ( -2.731 -11.748 11.141) 16.419 9.462 ( -0.344 -0.792 15.050) 15.075 9.497 ( -1.796 -1.846 16.699) 16.896 10.471 ( 6.810 8.116 20.504) 23.080 10.685 ( -3.519 1.474 20.170) 20.527 11.875 ( 4.098 5.050 0.105) 6.504 12.053 ( -4.221 3.429 -4.025) 6.765 13.092 ( 9.724 -6.486 -3.559) 12.218 13.381 ( -3.951 -11.915 -7.945) 14.856 13.784 ( 1.885 5.785 -2.939) 6.757 13.845 ( -1.397 4.306 -3.602) 5.785 ======================= Grid point 533 (174/270) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.700 ( -16.852 11.856 -5.137) 21.236 4.700 ( 16.852 11.856 -5.137) 21.236 6.121 ( -18.136 20.087 1.999) 27.137 6.121 ( 18.136 20.087 1.999) 27.137 7.062 ( -9.298 -12.498 11.831) 19.561 7.062 ( 9.298 -12.498 11.831) 19.561 7.985 ( -5.742 -12.700 10.238) 17.294 7.985 ( 5.742 -12.700 10.238) 17.294 9.469 ( -0.994 -1.198 15.875) 15.951 9.469 ( 0.994 -1.198 15.875) 15.951 10.594 ( -5.582 5.671 20.875) 22.341 10.594 ( 5.582 5.671 20.875) 22.341 11.964 ( -4.726 3.397 -1.628) 6.043 11.964 ( 4.726 3.397 -1.628) 6.043 13.266 ( -7.651 -8.714 -5.788) 12.961 13.266 ( 7.651 -8.714 -5.788) 12.961 13.817 ( -1.506 4.972 -2.997) 5.997 13.817 ( 1.506 4.972 -2.997) 5.997 ======================= Grid point 539 (175/270) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.473 ( 0.000 23.015 18.092) 29.275 5.685 ( 0.000 16.493 21.557) 27.142 5.919 ( 0.000 -14.227 12.543) 18.967 6.112 ( 0.000 -18.054 13.241) 22.389 7.468 ( 0.000 20.266 30.616) 36.716 7.676 ( 0.000 0.137 15.512) 15.512 7.872 ( 0.000 -5.032 -5.401) 7.382 7.944 ( 0.000 -13.673 4.016) 14.250 9.680 ( 0.000 1.105 16.999) 17.035 9.684 ( 0.000 0.639 15.381) 15.394 10.180 ( 0.000 13.320 12.652) 18.371 10.443 ( 0.000 -14.397 11.958) 18.716 12.020 ( 0.000 12.759 -0.031) 12.759 12.233 ( 0.000 -7.728 -4.507) 8.946 12.654 ( 0.000 12.149 -5.724) 13.430 12.987 ( 0.000 -20.869 -10.582) 23.399 13.789 ( 0.000 7.152 -5.310) 8.908 13.883 ( 0.000 -2.789 -7.024) 7.557 ======================= Grid point 540 (176/270) ======================= q-point: ( 0.10 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.430 ( -7.678 22.225 18.224) 29.750 5.614 ( -2.719 18.871 19.331) 27.152 5.903 ( -4.085 -16.777 11.719) 20.868 6.040 ( -3.872 -15.517 12.003) 19.996 7.526 ( 4.422 17.180 26.350) 31.765 7.720 ( 2.721 3.545 11.215) 12.073 7.817 ( -4.103 -8.175 -1.440) 9.259 7.902 ( -4.412 -12.220 5.593) 14.144 9.624 ( -4.458 2.139 15.339) 16.116 9.654 ( -3.185 -0.839 16.248) 16.579 10.239 ( 5.367 11.778 14.296) 19.285 10.473 ( 2.906 -12.912 13.420) 18.848 12.015 ( -0.522 12.669 0.151) 12.680 12.223 ( -1.041 -7.264 -4.279) 8.495 12.682 ( 2.871 11.572 -5.750) 13.237 13.006 ( 1.889 -20.432 -10.338) 22.976 13.802 ( 1.198 6.769 -4.979) 8.487 13.888 ( 0.489 -2.402 -6.556) 7.000 ======================= Grid point 541 (177/270) ======================= q-point: ( 0.20 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.174 ( -14.960 24.777 14.413) 32.333 5.595 ( -7.003 -10.496 15.017) 19.614 5.756 ( -1.654 11.529 7.858) 14.050 6.072 ( 5.421 -13.868 11.503) 18.816 7.540 ( -7.266 7.756 7.532) 13.026 7.650 ( -5.028 -0.165 -3.367) 6.054 7.776 ( -7.135 -2.661 14.631) 16.494 7.852 ( 4.131 -7.646 16.908) 19.011 9.538 ( -3.830 1.762 14.962) 15.545 9.576 ( -4.262 -2.095 16.085) 16.772 10.363 ( 6.802 9.673 17.122) 20.808 10.547 ( 4.333 -9.824 16.439) 19.635 12.001 ( -0.783 12.003 0.483) 12.039 12.191 ( -2.177 -6.059 -3.530) 7.342 12.767 ( 5.721 9.707 -5.797) 12.671 13.057 ( 3.158 -18.773 -9.675) 21.354 13.830 ( 1.576 5.778 -4.136) 7.278 13.898 ( 0.452 -1.409 -5.343) 5.544 ======================= Grid point 542 (178/270) ======================= q-point: ( 0.30 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.921 ( -9.774 23.810 7.048) 26.686 5.331 ( -15.181 -18.343 3.231) 24.029 5.890 ( 11.226 22.557 10.473) 27.286 6.223 ( 9.827 -12.723 9.712) 18.782 7.283 ( -16.360 6.089 -1.428) 17.515 7.454 ( -14.813 -11.205 -0.223) 18.575 7.723 ( 0.271 7.555 17.965) 19.490 7.895 ( -0.072 -9.709 15.515) 18.303 9.481 ( -1.975 0.606 14.965) 15.107 9.504 ( -2.762 -1.785 16.075) 16.408 10.494 ( 6.322 7.920 19.470) 21.949 10.629 ( 3.678 -6.300 19.157) 20.499 11.988 ( -0.434 9.984 0.548) 10.008 12.139 ( -3.072 -4.321 -2.425) 5.829 12.898 ( 7.303 6.408 -5.857) 11.345 13.120 ( 2.959 -15.389 -8.771) 17.959 13.858 ( 1.139 4.519 -3.096) 5.595 13.903 ( -0.039 -0.199 -3.844) 3.849 ======================= Grid point 543 (179/270) ======================= q-point: ( 0.40 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( -1.234 16.768 -0.245) 16.815 5.057 ( -12.239 -8.060 -2.679) 14.898 6.158 ( 15.761 19.867 7.589) 26.471 6.447 ( 12.262 -8.490 6.306) 16.193 6.937 ( -17.781 6.596 2.418) 19.119 7.132 ( -17.083 -10.849 4.379) 20.706 7.741 ( 1.636 0.372 13.694) 13.796 7.857 ( -3.252 -10.121 13.412) 17.114 9.456 ( -0.613 0.170 15.175) 15.188 9.469 ( -1.084 -1.108 15.632) 15.709 10.604 ( 4.699 5.660 20.957) 22.210 10.679 ( 1.201 -2.163 20.883) 21.029 11.990 ( 0.755 6.337 0.170) 6.384 12.076 ( -3.207 -1.768 -1.356) 3.905 13.037 ( 6.417 1.692 -6.149) 9.047 13.159 ( 0.617 -10.287 -7.803) 12.926 13.875 ( 0.642 3.231 -2.229) 3.977 13.897 ( -0.486 0.904 -2.590) 2.786 ======================= Grid point 544 (180/270) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.868 ( -6.614 4.947 -4.056) 9.202 4.868 ( 6.614 4.947 -4.056) 9.202 6.482 ( -14.910 16.547 2.121) 22.375 6.482 ( 14.910 16.547 2.121) 22.375 6.821 ( -12.374 -12.558 8.614) 19.622 6.821 ( 12.374 -12.558 8.614) 19.622 7.789 ( -3.199 -6.346 12.492) 14.372 7.789 ( 3.199 -6.346 12.492) 14.372 9.455 ( -0.367 -0.368 15.304) 15.313 9.455 ( 0.367 -0.368 15.304) 15.313 10.671 ( -2.013 2.188 21.473) 21.678 10.671 ( 2.013 2.188 21.473) 21.678 12.020 ( -2.294 1.954 -0.499) 3.054 12.020 ( 2.294 1.954 -0.499) 3.054 13.134 ( -3.214 -4.168 -6.858) 8.645 13.134 ( 3.214 -4.168 -6.858) 8.645 13.886 ( -0.581 1.992 -1.989) 2.874 13.886 ( 0.581 1.992 -1.989) 2.874 ======================= Grid point 594 (181/270) ======================= q-point: ( 0.00 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( 0.000 0.000 21.312) 21.312 4.788 ( 0.000 0.000 9.458) 9.458 6.676 ( 0.000 0.000 4.413) 4.413 6.835 ( 0.000 0.000 0.705) 0.705 7.348 ( 0.000 0.000 35.830) 35.830 8.265 ( 0.000 0.000 -1.299) 1.299 8.333 ( 0.000 0.000 19.304) 19.304 8.451 ( 0.000 0.000 -0.926) 0.926 9.801 ( 0.000 0.000 8.621) 8.621 9.820 ( 0.000 0.000 8.603) 8.603 9.933 ( 0.000 0.000 14.992) 14.992 11.453 ( 0.000 0.000 -13.775) 13.775 11.509 ( 0.000 0.000 3.963) 3.963 11.567 ( 0.000 0.000 2.299) 2.299 12.948 ( 0.000 0.000 3.135) 3.135 13.150 ( 0.000 0.000 0.252) 0.252 13.489 ( 0.000 0.000 -8.546) 8.546 13.925 ( 0.000 0.000 -14.523) 14.523 ======================= Grid point 595 (182/270) ======================= q-point: ( 0.10 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 3.807 0.000 19.549) 19.916 4.618 ( -16.326 0.000 11.402) 19.913 6.495 ( -13.814 0.000 4.650) 14.575 6.713 ( -12.385 0.000 -0.952) 12.422 7.533 ( 13.239 0.000 29.714) 32.530 8.260 ( -6.045 0.000 13.862) 15.122 8.265 ( 0.721 0.000 0.477) 0.865 8.484 ( 2.450 0.000 4.730) 5.327 9.794 ( -0.920 0.000 10.055) 10.097 9.807 ( 0.583 0.000 8.833) 8.853 10.014 ( 6.139 0.000 14.136) 15.411 11.354 ( -6.982 0.000 -2.590) 7.447 11.573 ( 3.704 0.000 -5.864) 6.936 11.586 ( 1.903 0.000 1.914) 2.699 12.986 ( 3.773 0.000 3.152) 4.916 13.174 ( 2.386 0.000 -0.281) 2.402 13.484 ( -0.494 0.000 -8.234) 8.249 13.915 ( -1.033 0.000 -13.949) 13.987 ======================= Grid point 596 (183/270) ======================= q-point: ( 0.20 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 5.882 0.000 14.312) 15.473 4.219 ( -22.010 0.000 12.089) 25.111 6.222 ( -13.771 0.000 1.475) 13.850 6.363 ( -22.467 0.000 -4.107) 22.840 7.722 ( 4.876 0.000 19.591) 20.188 8.129 ( -6.944 0.000 12.115) 13.963 8.329 ( 6.194 0.000 6.800) 9.198 8.535 ( 2.688 0.000 7.001) 7.499 9.807 ( 2.218 0.000 10.969) 11.191 9.820 ( 0.685 0.000 9.503) 9.528 10.135 ( 5.921 0.000 14.344) 15.517 11.201 ( -8.578 0.000 3.280) 9.183 11.637 ( 3.156 0.000 0.829) 3.263 11.642 ( 3.430 0.000 -8.334) 9.012 13.089 ( 6.444 0.000 2.846) 7.045 13.237 ( 3.750 0.000 -1.561) 4.062 13.470 ( -0.872 0.000 -7.428) 7.479 13.882 ( -2.397 0.000 -12.373) 12.603 ======================= Grid point 597 (184/270) ======================= q-point: ( 0.30 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( -13.539 0.000 6.457) 15.000 4.216 ( 3.369 0.000 5.303) 6.283 5.886 ( -24.073 0.000 -4.352) 24.463 5.952 ( -13.817 0.000 0.217) 13.819 7.753 ( -0.220 0.000 12.929) 12.931 7.995 ( -6.524 0.000 12.081) 13.730 8.475 ( 7.355 0.000 10.582) 12.887 8.587 ( 2.466 0.000 7.400) 7.801 9.835 ( 0.908 0.000 10.784) 10.822 9.866 ( 3.112 0.000 12.078) 12.472 10.250 ( 6.211 0.000 13.923) 15.246 11.020 ( -9.840 0.000 7.222) 12.206 11.702 ( 3.231 0.000 -0.793) 3.327 11.708 ( 3.126 0.000 -8.242) 8.814 13.227 ( 7.090 0.000 1.342) 7.216 13.317 ( 4.592 0.000 -2.733) 5.344 13.451 ( -1.125 0.000 -6.392) 6.491 13.818 ( -4.158 0.000 -10.127) 10.947 ======================= Grid point 598 (185/270) ======================= q-point: ( 0.40 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 3.117 0.000 -3.413) 4.622 4.185 ( -7.975 0.000 -6.676) 10.401 5.522 ( -10.533 0.000 1.088) 10.589 5.689 ( -12.519 0.000 1.627) 12.624 7.754 ( 0.790 0.000 11.446) 11.473 7.878 ( -5.301 0.000 11.927) 13.052 8.589 ( 4.002 0.000 9.928) 10.704 8.626 ( 1.338 0.000 7.753) 7.868 9.859 ( 1.620 0.000 12.448) 12.554 9.905 ( 0.610 0.000 13.400) 13.414 10.397 ( 9.033 0.000 12.463) 15.392 10.816 ( -10.920 0.000 9.610) 14.546 11.756 ( 2.041 0.000 -2.770) 3.441 11.758 ( 1.890 0.000 -6.871) 7.126 13.337 ( 3.809 0.000 -2.344) 4.473 13.426 ( -1.443 0.000 -5.338) 5.529 13.434 ( 7.404 0.000 -2.608) 7.850 13.718 ( -6.023 0.000 -7.479) 9.603 ======================= Grid point 599 (186/270) ======================= q-point: (-0.50 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( -14.350 0.000 -10.515) 17.790 3.936 ( 14.350 0.000 -10.515) 17.790 5.494 ( -6.049 0.000 3.688) 7.084 5.494 ( 6.049 0.000 3.688) 7.084 7.793 ( -3.228 0.000 11.564) 12.006 7.793 ( 3.228 0.000 11.564) 12.006 8.633 ( -0.746 0.000 8.587) 8.619 8.633 ( 0.746 0.000 8.587) 8.619 9.893 ( -1.530 0.000 13.594) 13.679 9.893 ( 1.530 0.000 13.594) 13.679 10.598 ( -11.028 0.000 11.069) 15.624 10.598 ( 11.028 0.000 11.069) 15.624 11.777 ( -0.075 0.000 -4.896) 4.897 11.777 ( 0.075 0.000 -4.896) 4.897 13.392 ( -2.120 0.000 -4.238) 4.739 13.392 ( 2.120 0.000 -4.238) 4.739 13.585 ( -7.464 0.000 -4.664) 8.801 13.585 ( 7.464 0.000 -4.664) 8.801 ======================= Grid point 605 (187/270) ======================= q-point: ( 0.00 0.11 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.191 ( 0.000 21.399 19.614) 29.028 4.908 ( 0.000 12.241 10.059) 15.844 6.674 ( 0.000 -0.515 5.158) 5.184 6.802 ( 0.000 -3.207 1.837) 3.696 7.397 ( 0.000 4.897 34.751) 35.094 8.053 ( 0.000 -13.120 5.480) 14.219 8.372 ( 0.000 -7.823 -0.988) 7.885 8.479 ( 0.000 6.458 11.950) 13.583 9.830 ( 0.000 0.984 8.604) 8.660 9.838 ( 0.000 3.989 8.471) 9.363 9.938 ( 0.000 0.502 14.580) 14.588 11.312 ( 0.000 -10.352 -4.746) 11.388 11.543 ( 0.000 3.628 3.583) 5.099 11.677 ( 0.000 7.241 -5.957) 9.376 12.936 ( 0.000 -2.235 4.085) 4.657 13.196 ( 0.000 5.458 -1.088) 5.565 13.519 ( 0.000 2.687 -7.889) 8.334 13.840 ( 0.000 -8.548 -14.403) 16.748 ======================= Grid point 606 (188/270) ======================= q-point: ( 0.10 0.11 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( 3.401 21.039 18.006) 27.901 4.733 ( -16.733 11.806 12.002) 23.737 6.493 ( -13.869 -0.284 4.526) 14.592 6.706 ( -10.557 -1.094 0.109) 10.614 7.564 ( 12.019 3.199 28.889) 31.452 8.041 ( -0.679 -12.779 7.529) 14.847 8.327 ( -3.992 -4.372 0.579) 5.949 8.485 ( 0.726 1.525 10.865) 10.995 9.779 ( -2.035 -0.201 8.983) 9.212 9.867 ( 1.421 4.649 10.475) 11.548 10.024 ( 6.779 1.335 13.072) 14.785 11.277 ( -3.529 -7.510 -1.878) 8.508 11.557 ( 1.583 2.183 2.123) 3.432 11.687 ( 1.035 6.336 -6.342) 9.024 12.970 ( 3.407 -2.659 4.028) 5.908 13.220 ( 2.311 5.447 -1.510) 6.107 13.516 ( -0.282 2.875 -7.643) 8.171 13.834 ( -0.639 -8.128 -13.799) 16.027 ======================= Grid point 607 (189/270) ======================= q-point: ( 0.20 0.11 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.307 ( -2.987 17.959 14.095) 23.024 4.334 ( -14.137 13.235 11.573) 22.560 6.193 ( -17.261 -2.076 0.569) 17.394 6.420 ( -16.984 4.448 -2.547) 17.740 7.711 ( 1.817 -1.974 15.896) 16.121 8.040 ( -1.216 -6.836 14.966) 16.498 8.274 ( 1.204 -6.554 3.901) 7.722 8.516 ( 2.419 -1.989 10.028) 10.506 9.762 ( 0.148 -1.663 9.507) 9.653 9.896 ( 1.346 4.053 11.810) 12.558 10.164 ( 7.236 3.539 13.070) 15.353 11.178 ( -6.415 -2.633 3.478) 7.757 11.608 ( 3.513 0.288 -0.403) 3.547 11.716 ( 1.820 4.793 -6.705) 8.440 13.064 ( 6.011 -3.670 3.548) 7.886 13.279 ( 3.432 5.334 -2.489) 6.813 13.509 ( -0.418 3.443 -7.001) 7.813 13.811 ( -1.785 -7.062 -12.157) 14.172 ======================= Grid point 608 (190/270) ======================= q-point: ( 0.30 0.11 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.950 ( -13.796 10.587 7.150) 18.803 4.400 ( 2.049 18.375 4.011) 18.919 5.811 ( -19.912 -3.455 -1.132) 20.242 6.097 ( -15.487 10.407 -2.359) 18.808 7.697 ( -1.511 -6.531 10.418) 12.388 7.946 ( -6.853 -4.153 12.879) 15.169 8.378 ( 6.919 -9.094 9.511) 14.868 8.569 ( 2.576 -2.481 9.692) 10.331 9.777 ( 1.269 -2.923 10.219) 10.704 9.913 ( 0.252 1.463 13.051) 13.135 10.309 ( 7.711 6.236 13.057) 16.396 11.032 ( -8.293 1.103 7.666) 11.347 11.685 ( 4.009 -0.010 -2.067) 4.511 11.755 ( 2.020 3.510 -6.570) 7.718 13.199 ( 7.456 -4.716 2.084) 9.065 13.345 ( 3.166 4.921 -3.484) 6.810 13.501 ( -0.322 4.322 -6.172) 7.542 13.760 ( -3.518 -5.726 -9.856) 11.929 ======================= Grid point 609 (191/270) ======================= q-point: ( 0.40 0.11 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 2.944 9.973 -2.502) 10.695 4.326 ( -10.776 13.940 -7.646) 19.207 5.533 ( -5.843 2.528 3.099) 7.080 5.809 ( -13.759 11.151 0.106) 17.711 7.684 ( 0.517 -7.577 10.284) 12.785 7.815 ( -5.971 -6.041 11.884) 14.608 8.498 ( 5.072 -8.251 9.278) 13.412 8.600 ( 0.245 -3.641 9.193) 9.891 9.811 ( 2.196 -3.473 11.591) 12.298 9.901 ( -1.494 -1.473 13.551) 13.713 10.474 ( 9.127 7.400 12.608) 17.234 10.856 ( -9.557 3.974 10.262) 14.575 11.754 ( 2.829 0.600 -3.296) 4.385 11.787 ( 1.064 2.472 -5.876) 6.462 13.343 ( 6.621 -4.819 -0.568) 8.209 13.397 ( 2.015 3.812 -4.154) 5.987 13.501 ( 0.716 4.743 -5.284) 7.137 13.673 ( -5.323 -4.192 -7.227) 9.906 ======================= Grid point 610 (192/270) ======================= q-point: (-0.50 0.11 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( -15.323 10.176 -9.883) 20.881 4.037 ( 15.323 10.176 -9.883) 20.881 5.579 ( -8.666 8.894 3.387) 12.871 5.579 ( 8.666 8.894 3.387) 12.871 7.722 ( -3.383 -7.296 11.084) 13.694 7.722 ( 3.383 -7.296 11.084) 13.694 8.575 ( -2.704 -6.014 8.860) 11.045 8.575 ( 2.704 -6.014 8.860) 11.045 9.859 ( -2.550 -3.084 12.968) 13.572 9.859 ( 2.550 -3.084 12.968) 13.572 10.663 ( -9.967 6.288 11.751) 16.642 10.663 ( 9.967 6.288 11.751) 16.642 11.790 ( -0.816 1.500 -4.641) 4.945 11.790 ( 0.816 1.500 -4.641) 4.945 13.416 ( -0.560 0.783 -3.717) 3.840 13.416 ( 0.560 0.783 -3.717) 3.840 13.561 ( -5.410 -0.851 -4.909) 7.354 13.561 ( 5.410 -0.851 -4.909) 7.354 ======================= Grid point 616 (193/270) ======================= q-point: ( 0.00 0.22 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.710 ( 0.000 31.125 16.432) 35.196 5.221 ( 0.000 19.884 11.293) 22.867 6.634 ( 0.000 -4.435 7.976) 9.126 6.720 ( 0.000 -5.470 3.907) 6.722 7.524 ( 0.000 8.394 31.808) 32.897 7.824 ( 0.000 -10.238 1.989) 10.430 8.185 ( 0.000 -10.942 -0.559) 10.956 8.541 ( 0.000 -0.041 13.689) 13.689 9.857 ( 0.000 1.919 8.694) 8.904 9.944 ( 0.000 3.951 12.670) 13.271 9.960 ( 0.000 5.013 8.644) 9.992 11.098 ( 0.000 -12.042 0.002) 12.042 11.646 ( 0.000 7.158 2.513) 7.587 11.815 ( 0.000 7.510 -9.010) 11.729 12.848 ( 0.000 -6.824 4.160) 7.992 13.352 ( 0.000 10.103 -2.188) 10.337 13.499 ( 0.000 -10.648 -8.661) 13.726 13.689 ( 0.000 -1.429 -11.488) 11.576 ======================= Grid point 617 (194/270) ======================= q-point: ( 0.10 0.22 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.737 ( 2.610 30.560 14.947) 34.120 5.042 ( -17.141 20.088 13.288) 29.563 6.480 ( -13.020 -1.308 4.821) 13.945 6.646 ( -7.494 -6.019 3.606) 10.266 7.641 ( 6.421 4.062 22.421) 23.674 7.821 ( 1.877 -9.142 7.341) 11.874 8.171 ( -1.617 -9.713 0.215) 9.849 8.496 ( -3.616 -1.249 14.344) 14.845 9.787 ( -3.467 1.107 8.643) 9.378 9.947 ( 0.068 2.576 13.062) 13.314 10.091 ( 9.328 6.516 9.375) 14.743 11.101 ( 0.214 -10.500 1.353) 10.589 11.646 ( 0.187 6.861 2.139) 7.189 11.816 ( 0.175 7.368 -8.708) 11.408 12.873 ( 2.541 -7.287 3.874) 8.635 13.373 ( 2.048 9.592 -2.395) 10.097 13.504 ( 0.443 -9.593 -8.439) 12.785 13.693 ( 0.269 -1.172 -10.881) 10.947 ======================= Grid point 618 (195/270) ======================= q-point: ( 0.20 0.22 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.618 ( -22.327 18.727 12.890) 31.864 4.815 ( 3.571 31.054 11.080) 33.164 6.152 ( -19.954 -2.667 0.859) 20.150 6.482 ( -8.539 1.093 0.545) 8.626 7.611 ( -6.036 -8.113 4.571) 11.097 7.965 ( 7.528 -1.201 21.823) 23.117 8.096 ( -5.204 -10.328 0.546) 11.578 8.458 ( 0.629 -4.002 14.521) 15.076 9.745 ( -1.053 -0.202 9.115) 9.178 9.938 ( -1.103 0.204 13.068) 13.116 10.282 ( 9.798 8.522 11.036) 17.042 11.096 ( -1.131 -5.908 4.944) 7.786 11.663 ( 1.784 5.535 1.027) 5.905 11.825 ( 0.804 6.897 -8.111) 10.677 12.946 ( 4.887 -8.264 2.909) 10.032 13.421 ( 2.365 6.781 -3.175) 7.853 13.518 ( 1.063 -5.810 -7.632) 9.651 13.696 ( -0.087 -0.110 -9.148) 9.149 ======================= Grid point 619 (196/270) ======================= q-point: ( 0.30 0.22 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.234 ( -14.517 18.715 7.721) 24.912 4.854 ( -2.106 27.645 1.117) 27.748 5.769 ( -15.920 -1.254 2.137) 16.112 6.300 ( -10.451 10.151 -2.234) 14.740 7.501 ( -4.085 -13.145 5.683) 14.892 7.871 ( -10.560 -4.124 10.911) 15.734 8.170 ( 7.354 -11.475 10.985) 17.505 8.492 ( 1.539 -5.373 12.743) 13.915 9.738 ( 0.213 -1.272 9.736) 9.821 9.903 ( -2.332 -2.183 13.067) 13.452 10.469 ( 9.232 9.838 12.464) 18.368 11.047 ( -3.868 0.068 8.872) 9.679 11.716 ( 3.425 3.648 -0.395) 5.019 11.844 ( 1.009 6.067 -7.273) 9.525 13.062 ( 6.736 -9.014 1.013) 11.298 13.448 ( 0.146 -0.740 -5.062) 5.118 13.549 ( 2.095 1.825 -5.649) 6.296 13.686 ( -0.950 2.184 -6.667) 7.079 ======================= Grid point 620 (197/270) ======================= q-point: ( 0.40 0.22 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.103 ( 1.704 17.149 -1.102) 17.269 4.649 ( -17.763 17.970 -9.374) 26.951 5.648 ( 3.559 10.078 6.006) 12.260 6.069 ( -12.803 15.506 -1.310) 20.151 7.468 ( 0.783 -14.633 8.182) 16.783 7.672 ( -9.087 -8.848 10.367) 16.381 8.304 ( 6.346 -11.408 10.190) 16.561 8.489 ( -2.014 -7.680 10.735) 13.352 9.754 ( 1.514 -2.327 10.770) 11.122 9.852 ( -2.853 -3.340 12.714) 13.452 10.644 ( 8.650 9.777 13.156) 18.533 10.946 ( -6.295 4.937 11.538) 14.040 11.785 ( 3.310 2.880 -1.948) 4.801 11.856 ( -0.057 4.829 -5.796) 7.544 13.202 ( 7.273 -9.143 -1.730) 11.811 13.421 ( -2.935 -6.266 -5.906) 9.097 13.592 ( 2.109 6.129 -4.127) 7.684 13.661 ( -1.499 5.195 -4.403) 6.973 ======================= Grid point 621 (198/270) ======================= q-point: (-0.50 0.22 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( -15.963 15.243 -8.392) 23.614 4.288 ( 15.963 15.243 -8.392) 23.614 5.819 ( -11.919 15.982 2.646) 20.111 5.819 ( 11.919 15.982 2.646) 20.111 7.529 ( -5.311 -12.671 9.700) 16.818 7.529 ( 5.311 -12.671 9.700) 16.818 8.417 ( -5.012 -10.126 9.797) 14.955 8.417 ( 5.012 -10.126 9.797) 14.955 9.796 ( -2.647 -3.193 11.887) 12.590 9.796 ( 2.647 -3.193 11.887) 12.590 10.806 ( -7.834 8.136 12.891) 17.139 10.806 ( 7.834 8.136 12.891) 17.139 11.837 ( -1.857 3.508 -3.838) 5.521 11.837 ( 1.857 3.508 -3.838) 5.521 13.334 ( -5.856 -8.520 -4.486) 11.270 13.334 ( 5.856 -8.520 -4.486) 11.270 13.629 ( -1.704 6.835 -3.606) 7.913 13.629 ( 1.704 6.835 -3.606) 7.913 ======================= Grid point 627 (199/270) ======================= q-point: ( 0.00 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.297 ( 0.000 29.469 14.418) 32.807 5.624 ( 0.000 21.746 11.855) 24.767 6.485 ( 0.000 -11.477 12.417) 16.908 6.584 ( 0.000 -9.276 7.047) 11.650 7.688 ( 0.000 -3.941 -3.496) 5.268 7.698 ( 0.000 8.288 19.250) 20.959 8.007 ( 0.000 -5.615 7.220) 9.147 8.480 ( 0.000 -6.200 17.402) 18.474 9.900 ( 0.000 2.462 9.102) 9.429 9.969 ( 0.000 0.766 12.966) 12.989 10.135 ( 0.000 10.952 5.905) 12.442 10.860 ( 0.000 -12.951 2.822) 13.255 11.810 ( 0.000 9.907 0.871) 9.945 11.967 ( 0.000 8.455 -10.228) 13.271 12.697 ( 0.000 -8.250 3.380) 8.916 13.173 ( 0.000 -20.190 -9.784) 22.436 13.545 ( 0.000 9.572 -2.931) 10.011 13.733 ( 0.000 2.842 -7.169) 7.711 ======================= Grid point 628 (200/270) ======================= q-point: ( 0.10 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.293 ( -2.695 26.524 12.993) 29.658 5.479 ( -11.488 25.510 13.669) 31.138 6.425 ( -13.164 -5.931 5.880) 15.590 6.462 ( -3.488 -12.666 9.698) 16.330 7.643 ( -5.480 -2.854 -4.011) 7.367 7.747 ( 3.931 -1.565 11.371) 12.133 8.044 ( 3.428 -0.965 12.668) 13.159 8.434 ( -4.185 -5.216 17.878) 19.088 9.821 ( -4.732 2.455 8.682) 10.188 9.962 ( -1.581 -0.535 12.613) 12.723 10.257 ( 9.807 10.201 7.856) 16.185 10.892 ( 3.022 -11.423 4.240) 12.554 11.807 ( -0.160 9.873 0.672) 9.897 11.970 ( 0.244 8.645 -9.539) 12.876 12.716 ( 1.940 -8.444 2.913) 9.141 13.187 ( 1.309 -19.506 -9.495) 21.734 13.567 ( 2.148 9.307 -2.912) 9.986 13.741 ( 0.720 3.090 -6.825) 7.527 ======================= Grid point 629 (201/270) ======================= q-point: ( 0.20 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.008 ( -21.271 21.800 12.082) 32.767 5.422 ( 1.940 31.270 9.394) 32.708 6.059 ( -20.874 -8.260 3.668) 22.747 6.442 ( 0.230 -5.144 5.955) 7.873 7.473 ( -10.916 -4.966 -4.232) 12.718 7.807 ( 0.877 -13.221 1.804) 13.372 8.069 ( -2.361 4.925 18.547) 19.334 8.373 ( -0.607 -4.797 18.115) 18.749 9.753 ( -2.240 1.089 9.085) 9.420 9.912 ( -3.283 -2.657 12.092) 12.808 10.462 ( 10.509 9.940 10.553) 17.906 10.965 ( 3.893 -7.657 7.388) 11.330 11.809 ( 0.418 9.413 0.546) 9.438 11.976 ( 0.341 8.562 -8.269) 11.908 12.777 ( 4.341 -8.659 1.581) 9.814 13.218 ( 1.595 -17.676 -8.880) 19.845 13.621 ( 3.144 8.663 -2.781) 9.626 13.758 ( 0.924 3.764 -5.820) 6.993 ======================= Grid point 630 (202/270) ======================= q-point: ( 0.30 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.627 ( -15.445 21.923 6.851) 27.679 5.335 ( -16.031 17.267 -4.983) 24.082 5.787 ( -0.949 6.638 10.067) 12.096 6.446 ( -0.742 4.111 1.784) 4.543 7.261 ( -9.293 -10.122 -0.368) 13.746 7.713 ( -10.470 -13.830 1.870) 17.447 8.041 ( 1.508 -0.465 17.529) 17.600 8.375 ( -0.710 -6.752 15.049) 16.510 9.726 ( -0.723 -0.041 9.646) 9.673 9.845 ( -3.289 -3.605 11.929) 12.888 10.657 ( 9.252 9.620 12.607) 18.360 11.024 ( 1.713 -2.661 10.484) 10.951 11.827 ( 1.519 7.821 0.240) 7.971 11.979 ( -0.211 7.456 -6.673) 10.009 12.885 ( 6.567 -8.588 -0.576) 10.827 13.240 ( 0.374 -15.134 -8.215) 17.224 13.682 ( 2.895 7.883 -2.474) 8.754 13.773 ( 0.512 4.682 -4.385) 6.435 ======================= Grid point 631 (203/270) ======================= q-point: ( 0.40 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.454 ( -1.525 18.900 -0.852) 18.980 4.922 ( -21.672 9.076 -8.979) 25.153 5.924 ( 11.159 18.630 7.340) 22.923 6.370 ( -7.633 15.531 -0.852) 17.326 7.163 ( 0.104 -16.493 5.440) 17.367 7.472 ( -12.563 -12.721 6.345) 18.971 8.108 ( 4.800 -7.828 12.837) 15.783 8.323 ( -4.488 -9.484 12.378) 16.227 9.723 ( 0.523 -0.958 10.332) 10.389 9.788 ( -2.531 -3.130 11.566) 12.247 10.822 ( 7.533 8.649 13.666) 17.842 11.022 ( -1.994 2.534 12.647) 13.052 11.868 ( 2.544 5.765 -0.825) 6.356 11.962 ( -1.535 5.818 -4.592) 7.569 13.023 ( 7.093 -8.819 -3.204) 11.762 13.223 ( -2.273 -12.388 -7.271) 14.543 13.731 ( 2.055 7.102 -2.174) 7.706 13.776 ( -0.250 5.594 -3.047) 6.375 ======================= Grid point 632 (204/270) ======================= q-point: (-0.50 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( -12.857 13.380 -6.960) 19.818 4.570 ( 12.857 13.380 -6.960) 19.818 6.163 ( -12.386 19.710 2.101) 23.373 6.163 ( 12.386 19.710 2.101) 23.373 7.257 ( -8.665 -15.712 7.406) 19.412 7.257 ( 8.665 -15.712 7.406) 19.412 8.216 ( -5.881 -10.270 11.551) 16.538 8.216 ( 5.881 -10.270 11.551) 16.538 9.746 ( -1.717 -2.044 10.983) 11.303 9.746 ( 1.717 -2.044 10.983) 11.303 10.949 ( -5.252 6.441 13.689) 16.015 10.949 ( 5.252 6.441 13.689) 16.015 11.920 ( -2.591 4.956 -2.516) 6.132 11.920 ( 2.591 4.956 -2.516) 6.132 13.148 ( -5.312 -10.087 -5.602) 12.702 13.148 ( 5.312 -10.087 -5.602) 12.702 13.762 ( -1.135 6.367 -2.279) 6.857 13.762 ( 1.135 6.367 -2.279) 6.857 ======================= Grid point 638 (205/270) ======================= q-point: ( 0.00 0.44 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.799 ( 0.000 23.296 13.352) 26.851 6.010 ( 0.000 16.736 8.711) 18.867 6.214 ( 0.000 -15.170 17.641) 23.267 6.359 ( 0.000 -14.453 11.308) 18.351 7.669 ( 0.000 1.574 -7.304) 7.472 7.727 ( 0.000 -3.606 -6.823) 7.717 8.083 ( 0.000 11.553 26.842) 29.223 8.313 ( 0.000 -11.195 22.463) 25.098 9.945 ( 0.000 2.056 10.045) 10.253 9.971 ( 0.000 -0.628 11.452) 11.470 10.362 ( 0.000 12.760 5.009) 13.708 10.611 ( 0.000 -13.306 4.237) 13.964 12.001 ( 0.000 9.334 -1.879) 9.521 12.091 ( 0.000 1.987 -8.055) 8.297 12.603 ( 0.000 1.484 -0.094) 1.487 12.803 ( 0.000 -17.324 -7.022) 18.694 13.694 ( 0.000 5.746 -3.918) 6.955 13.756 ( 0.000 -0.861 -5.281) 5.351 ======================= Grid point 639 (206/270) ======================= q-point: ( 0.10 0.44 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.745 ( -8.899 21.879 12.197) 26.582 5.940 ( -3.681 20.691 10.727) 23.595 6.143 ( -10.098 -18.010 13.284) 24.552 6.273 ( -3.801 -12.421 11.294) 17.213 7.621 ( -5.473 0.866 -8.255) 9.942 7.674 ( -4.452 -4.405 -5.567) 8.380 8.138 ( 4.163 8.463 24.278) 26.046 8.304 ( -1.005 -8.254 21.958) 23.480 9.877 ( -5.055 3.222 9.381) 11.133 9.933 ( -3.723 -2.449 10.863) 11.742 10.460 ( 8.479 11.102 7.215) 15.723 10.674 ( 5.884 -11.445 6.148) 14.262 11.999 ( -0.161 9.444 -1.799) 9.615 12.094 ( 0.144 1.712 -7.254) 7.455 12.623 ( 2.130 1.827 -0.645) 2.879 12.825 ( 2.213 -17.128 -6.955) 18.618 13.711 ( 1.685 5.489 -3.764) 6.865 13.769 ( 1.202 -0.596 -5.035) 5.211 ======================= Grid point 640 (207/270) ======================= q-point: ( 0.20 0.44 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.423 ( -20.559 21.466 9.710) 31.269 5.786 ( -21.079 -13.565 3.099) 25.258 5.975 ( 3.733 19.344 14.002) 24.170 6.289 ( 3.828 -11.679 9.850) 15.750 7.448 ( -11.392 2.585 -7.817) 14.056 7.573 ( -6.313 -10.312 -4.673) 12.963 8.177 ( -1.433 5.810 20.277) 21.141 8.280 ( -1.091 -5.064 20.019) 20.678 9.788 ( -3.584 2.657 9.516) 10.509 9.850 ( -4.231 -3.579 10.569) 11.934 10.645 ( 9.654 9.256 10.338) 16.904 10.812 ( 7.487 -8.404 9.387) 14.656 11.995 ( -0.282 9.266 -1.251) 9.354 12.092 ( -0.451 1.124 -5.556) 5.686 12.690 ( 4.632 2.231 -2.076) 5.545 12.884 ( 3.590 -16.049 -6.939) 17.850 13.753 ( 2.438 4.851 -3.275) 6.340 13.798 ( 1.701 0.072 -4.297) 4.622 ======================= Grid point 641 (208/270) ======================= q-point: ( 0.30 0.44 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.033 ( -17.547 20.051 4.013) 26.945 5.346 ( -22.047 -11.458 -1.418) 24.887 6.102 ( 8.632 20.481 10.170) 24.442 6.403 ( 7.572 -9.594 7.899) 14.552 7.200 ( -13.382 4.868 -5.286) 15.189 7.413 ( -10.069 -15.629 -2.342) 18.739 8.107 ( -4.235 6.118 17.502) 19.018 8.240 ( -3.517 -7.381 16.413) 18.337 9.738 ( -1.697 1.401 9.985) 10.225 9.780 ( -2.775 -3.000 10.772) 11.521 10.823 ( 8.220 7.735 12.576) 16.898 10.947 ( 5.906 -5.361 11.876) 14.306 11.988 ( -0.370 8.103 -0.615) 8.134 12.073 ( -1.440 0.645 -3.724) 4.045 12.799 ( 6.198 1.492 -3.876) 7.461 12.956 ( 3.402 -13.424 -7.077) 15.552 13.799 ( 2.123 4.072 -2.506) 5.232 13.830 ( 1.349 0.887 -3.197) 3.582 ======================= Grid point 642 (209/270) ======================= q-point: ( 0.40 0.44 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( -7.476 14.488 -2.437) 16.484 4.966 ( -15.811 -4.280 -5.654) 17.328 6.304 ( 11.659 19.707 6.701) 23.858 6.565 ( 7.356 -1.746 5.274) 9.219 6.951 ( -10.389 1.055 -0.513) 10.455 7.185 ( -12.735 -16.731 1.476) 21.078 8.048 ( -1.245 1.682 14.781) 14.929 8.150 ( -5.085 -8.094 14.019) 16.968 9.718 ( -0.404 0.405 10.274) 10.290 9.739 ( -1.453 -1.887 10.678) 10.941 10.960 ( 5.617 5.691 13.769) 15.923 11.031 ( 2.392 -1.655 13.399) 13.711 11.986 ( 0.260 5.718 -0.566) 5.752 12.038 ( -1.994 1.014 -2.189) 3.130 12.916 ( 5.339 -1.009 -5.526) 7.750 13.004 ( 1.201 -9.429 -7.124) 11.878 13.833 ( 1.281 3.274 -1.770) 3.936 13.848 ( 0.519 1.684 -2.121) 2.758 ======================= Grid point 643 (210/270) ======================= q-point: (-0.50 0.44 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.756 ( -5.030 5.377 -6.264) 9.667 4.756 ( 5.030 5.377 -6.264) 9.667 6.535 ( -10.363 18.100 2.941) 21.063 6.535 ( 10.363 18.100 2.941) 21.063 6.947 ( -9.850 -16.142 4.232) 19.377 6.947 ( 9.850 -16.142 4.232) 19.377 8.066 ( -2.927 -4.591 13.435) 14.496 8.066 ( 2.927 -4.591 13.435) 14.496 9.720 ( -0.571 -0.689 10.449) 10.487 9.720 ( 0.571 -0.689 10.449) 10.487 11.036 ( -1.911 2.442 14.036) 14.374 11.036 ( 1.911 2.442 14.036) 14.374 12.003 ( -1.453 2.862 -1.137) 3.406 12.003 ( 1.453 2.862 -1.137) 3.406 12.994 ( -2.310 -4.938 -6.670) 8.614 12.994 ( 2.310 -4.938 -6.670) 8.614 13.849 ( -0.387 2.471 -1.559) 2.947 13.849 ( 0.387 2.471 -1.559) 2.947 ======================= Grid point 693 (211/270) ======================= q-point: ( 0.00 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.365 ( 0.000 0.000 16.385) 16.385 4.884 ( 0.000 0.000 0.493) 0.493 6.764 ( 0.000 0.000 3.646) 3.646 6.839 ( 0.000 0.000 -0.121) 0.121 8.000 ( 0.000 0.000 27.355) 27.355 8.257 ( 0.000 0.000 0.736) 0.736 8.418 ( 0.000 0.000 -2.298) 2.298 8.637 ( 0.000 0.000 9.438) 9.438 9.940 ( 0.000 0.000 4.981) 4.981 9.955 ( 0.000 0.000 4.585) 4.585 10.204 ( 0.000 0.000 12.273) 12.273 11.140 ( 0.000 0.000 -16.299) 16.299 11.580 ( 0.000 0.000 2.883) 2.883 11.610 ( 0.000 0.000 1.734) 1.734 13.012 ( 0.000 0.000 3.196) 3.196 13.184 ( 0.000 0.000 3.121) 3.121 13.325 ( 0.000 0.000 -7.301) 7.301 13.648 ( 0.000 0.000 -12.122) 12.122 ======================= Grid point 694 (212/270) ======================= q-point: ( 0.10 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( 0.092 0.000 14.590) 14.590 4.759 ( -12.660 0.000 2.770) 12.959 6.578 ( -16.044 0.000 3.305) 16.381 6.686 ( -15.127 0.000 -1.448) 15.196 8.030 ( 0.603 0.000 16.494) 16.505 8.340 ( 8.575 0.000 8.552) 12.111 8.358 ( -4.868 0.000 -0.786) 4.931 8.669 ( 2.285 0.000 8.897) 9.186 9.950 ( 0.972 0.000 5.131) 5.222 9.951 ( 0.278 0.000 5.472) 5.479 10.271 ( 5.729 0.000 11.535) 12.880 11.143 ( 0.071 0.000 -14.634) 14.634 11.570 ( -0.814 0.000 2.456) 2.587 11.620 ( 1.031 0.000 1.277) 1.641 13.048 ( 3.485 0.000 2.887) 4.525 13.199 ( 1.455 0.000 2.782) 3.140 13.328 ( 0.209 0.000 -6.883) 6.886 13.649 ( 0.017 0.000 -11.699) 11.699 ======================= Grid point 695 (213/270) ======================= q-point: ( 0.20 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( -1.831 0.000 8.969) 9.154 4.409 ( -21.861 0.000 6.589) 22.832 6.240 ( -16.909 0.000 0.307) 16.912 6.287 ( -23.892 0.000 -3.009) 24.081 8.004 ( -2.373 0.000 8.987) 9.295 8.258 ( -5.121 0.000 1.540) 5.348 8.538 ( 9.950 0.000 12.018) 15.602 8.711 ( 2.005 0.000 8.439) 8.673 9.976 ( 1.641 0.000 5.700) 5.931 9.982 ( 2.917 0.000 6.140) 6.797 10.390 ( 5.862 0.000 11.043) 12.503 11.131 ( -1.687 0.000 -9.714) 9.859 11.562 ( 0.284 0.000 0.478) 0.556 11.647 ( 1.630 0.000 0.064) 1.631 13.137 ( 5.108 0.000 1.609) 5.356 13.240 ( 2.705 0.000 2.211) 3.494 13.332 ( 0.147 0.000 -5.940) 5.942 13.646 ( -0.444 0.000 -10.401) 10.410 ======================= Grid point 696 (214/270) ======================= q-point: ( 0.30 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( -20.127 0.000 5.955) 20.990 4.264 ( -8.359 0.000 -0.549) 8.377 5.832 ( -20.151 0.000 -0.858) 20.169 5.938 ( -13.792 0.000 -1.520) 13.876 7.961 ( -1.621 0.000 8.029) 8.191 8.157 ( -5.144 0.000 3.888) 6.448 8.698 ( 6.157 0.000 10.010) 11.752 8.750 ( 1.956 0.000 7.707) 7.951 10.016 ( 2.482 0.000 6.872) 7.306 10.057 ( 4.278 0.000 6.600) 7.865 10.494 ( 4.920 0.000 10.274) 11.391 11.064 ( -5.271 0.000 -3.460) 6.305 11.588 ( 2.262 0.000 -2.509) 3.378 11.678 ( 1.358 0.000 -1.525) 2.042 13.226 ( 3.477 0.000 -1.131) 3.657 13.312 ( 4.816 0.000 2.109) 5.258 13.332 ( -0.163 0.000 -5.014) 5.016 13.627 ( -1.547 0.000 -8.281) 8.424 ======================= Grid point 697 (215/270) ======================= q-point: ( 0.40 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( -6.367 0.000 -0.434) 6.382 4.019 ( -15.549 0.000 -8.773) 17.853 5.566 ( -6.456 0.000 2.840) 7.053 5.702 ( -10.123 0.000 -0.328) 10.129 7.950 ( 0.597 0.000 7.828) 7.850 8.060 ( -4.553 0.000 5.787) 7.363 8.780 ( 2.393 0.000 8.074) 8.421 8.784 ( 1.429 0.000 7.175) 7.316 10.072 ( 3.049 0.000 8.233) 8.779 10.124 ( 1.893 0.000 7.827) 8.053 10.602 ( 6.637 0.000 7.887) 10.308 10.929 ( -8.186 0.000 1.216) 8.276 11.639 ( 2.638 0.000 -4.090) 4.867 11.694 ( 0.145 0.000 -3.047) 3.050 13.276 ( 1.910 0.000 -2.838) 3.421 13.324 ( -0.642 0.000 -4.346) 4.393 13.416 ( 5.325 0.000 0.310) 5.334 13.583 ( -2.964 0.000 -5.538) 6.282 ======================= Grid point 698 (216/270) ======================= q-point: (-0.50 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( -9.963 0.000 -7.772) 12.636 3.743 ( 9.963 0.000 -7.772) 12.636 5.555 ( -4.291 0.000 2.230) 4.836 5.555 ( 4.291 0.000 2.230) 4.836 7.985 ( -2.918 0.000 7.114) 7.689 7.985 ( 2.918 0.000 7.114) 7.689 8.800 ( -0.090 0.000 7.201) 7.202 8.800 ( 0.090 0.000 7.201) 7.202 10.123 ( -1.758 0.000 8.780) 8.954 10.123 ( 1.758 0.000 8.780) 8.954 10.757 ( -8.832 0.000 4.609) 9.963 10.757 ( 8.832 0.000 4.609) 9.963 11.681 ( -1.495 0.000 -4.063) 4.329 11.681 ( 1.495 0.000 -4.063) 4.329 13.306 ( -1.208 0.000 -3.750) 3.939 13.306 ( 1.208 0.000 -3.750) 3.939 13.511 ( -4.325 0.000 -2.509) 5.000 13.511 ( 4.325 0.000 -2.509) 5.000 ======================= Grid point 704 (217/270) ======================= q-point: ( 0.00 0.11 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.551 ( 0.000 18.715 15.259) 24.148 5.019 ( 0.000 13.617 1.230) 13.673 6.772 ( 0.000 0.724 3.885) 3.952 6.824 ( 0.000 -1.493 0.611) 1.613 8.017 ( 0.000 1.074 24.092) 24.116 8.108 ( 0.000 -12.993 1.839) 13.122 8.353 ( 0.000 -5.721 0.302) 5.729 8.715 ( 0.000 5.667 8.325) 10.071 9.964 ( 0.000 0.943 4.543) 4.639 9.966 ( 0.000 2.782 4.228) 5.061 10.205 ( 0.000 0.109 12.194) 12.195 11.104 ( 0.000 -3.821 -14.097) 14.605 11.607 ( 0.000 2.801 2.486) 3.745 11.631 ( 0.000 2.232 0.288) 2.251 13.027 ( 0.000 -0.745 4.758) 4.816 13.192 ( 0.000 2.818 0.850) 2.943 13.370 ( 0.000 4.249 -6.587) 7.838 13.567 ( 0.000 -8.239 -11.863) 14.443 ======================= Grid point 705 (218/270) ======================= q-point: ( 0.10 0.11 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.551 ( -0.155 18.477 13.480) 22.872 4.890 ( -13.035 13.295 3.598) 18.964 6.566 ( -17.077 -0.927 2.391) 17.269 6.706 ( -12.856 1.479 0.079) 12.941 7.975 ( -3.323 -7.159 8.598) 11.671 8.239 ( 10.475 -7.004 13.803) 18.689 8.320 ( -3.099 -3.733 0.982) 4.950 8.719 ( 0.541 3.727 9.283) 10.018 9.919 ( -1.323 -0.765 4.875) 5.108 10.029 ( 3.183 5.548 5.368) 8.350 10.265 ( 5.547 -0.526 11.002) 12.332 11.114 ( 0.854 -3.029 -12.646) 13.032 11.593 ( -0.970 2.393 1.622) 3.049 11.644 ( 1.052 2.563 0.640) 2.843 13.060 ( 3.227 -1.422 4.672) 5.854 13.206 ( 1.355 3.141 0.315) 3.435 13.373 ( 0.290 4.238 -6.220) 7.532 13.572 ( 0.462 -7.715 -11.422) 13.791 ======================= Grid point 706 (219/270) ======================= q-point: ( 0.20 0.11 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.520 ( -13.652 13.454 6.735) 20.316 4.541 ( -11.114 16.706 8.510) 21.795 6.189 ( -20.432 -2.249 -0.629) 20.565 6.377 ( -18.405 6.038 -1.657) 19.441 7.905 ( -3.345 -10.211 5.338) 11.998 8.237 ( -5.295 -2.456 2.412) 6.316 8.440 ( 8.923 -7.695 12.596) 17.248 8.742 ( 1.764 1.616 10.269) 10.544 9.914 ( 0.692 -2.231 5.392) 5.876 10.088 ( 2.755 6.048 6.877) 9.563 10.393 ( 6.884 0.719 9.655) 11.879 11.125 ( -0.189 -0.717 -8.312) 8.345 11.582 ( 0.189 2.265 0.025) 2.273 11.668 ( 1.413 2.330 -0.017) 2.724 13.144 ( 5.053 -3.440 4.193) 7.413 13.242 ( 2.196 4.348 -0.951) 4.963 13.380 ( 0.385 4.247 -5.437) 6.910 13.581 ( 0.246 -6.379 -10.053) 11.909 ======================= Grid point 707 (220/270) ======================= q-point: ( 0.30 0.11 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( -20.365 11.503 6.445) 24.260 4.423 ( -9.792 15.932 -1.696) 18.777 5.806 ( -16.579 -0.425 0.866) 16.607 6.049 ( -14.587 9.169 -2.514) 17.412 7.858 ( -1.317 -10.614 5.914) 12.221 8.120 ( -6.391 -3.871 4.571) 8.759 8.581 ( 5.781 -8.885 9.272) 14.083 8.777 ( 1.419 0.111 9.551) 9.657 9.943 ( 2.311 -3.619 6.026) 7.399 10.129 ( 1.242 2.683 8.012) 8.540 10.529 ( 7.089 4.372 8.701) 12.045 11.090 ( -3.570 2.509 -2.370) 4.966 11.607 ( 2.201 2.124 -2.582) 4.003 11.695 ( 1.223 1.925 -1.350) 2.650 13.242 ( 4.447 -6.238 1.852) 7.882 13.291 ( 2.876 6.289 -1.417) 7.059 13.388 ( 0.563 4.298 -4.582) 6.308 13.576 ( -0.845 -4.715 -7.838) 9.186 ======================= Grid point 708 (221/270) ======================= q-point: ( 0.40 0.11 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( -6.422 11.195 0.043) 12.906 4.146 ( -16.930 12.666 -9.203) 23.060 5.606 ( -3.573 4.905 3.752) 7.134 5.801 ( -10.732 9.595 -0.987) 14.430 7.857 ( 1.245 -9.676 6.680) 11.824 7.999 ( -5.655 -6.211 6.090) 10.375 8.677 ( 4.161 -7.900 7.677) 11.775 8.784 ( -0.842 -2.524 8.078) 8.505 10.003 ( 3.612 -4.570 7.073) 9.163 10.128 ( -1.492 -1.752 8.503) 8.809 10.676 ( 8.012 7.470 7.395) 13.217 10.987 ( -6.701 5.534 2.378) 9.010 11.657 ( 2.608 2.035 -4.102) 5.270 11.710 ( 0.166 1.787 -2.847) 3.365 13.305 ( 2.186 -2.124 -2.648) 4.038 13.341 ( 1.154 2.640 -2.137) 3.587 13.417 ( 2.933 2.882 -2.173) 4.651 13.545 ( -2.321 -2.931 -5.067) 6.297 ======================= Grid point 709 (222/270) ======================= q-point: (-0.50 0.11 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( -10.275 11.210 -7.385) 16.905 3.855 ( 10.275 11.210 -7.385) 16.905 5.636 ( -5.679 8.437 2.081) 10.381 5.636 ( 5.679 8.437 2.081) 10.381 7.906 ( -3.703 -8.177 6.790) 11.255 7.906 ( 3.703 -8.177 6.790) 11.255 8.747 ( -2.857 -5.508 7.354) 9.622 8.747 ( 2.857 -5.508 7.354) 9.622 10.076 ( -3.520 -4.227 8.093) 9.786 10.076 ( 3.520 -4.227 8.093) 9.786 10.838 ( -8.217 7.595 5.423) 12.434 10.838 ( 8.217 7.595 5.423) 12.434 11.698 ( -1.421 1.902 -3.972) 4.628 11.698 ( 1.421 1.902 -3.972) 4.628 13.337 ( -1.091 1.104 -3.646) 3.963 13.337 ( 1.091 1.104 -3.646) 3.963 13.487 ( -3.537 -0.696 -2.408) 4.335 13.487 ( 3.537 -0.696 -2.408) 4.335 ======================= Grid point 715 (223/270) ======================= q-point: ( 0.00 0.22 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.014 ( 0.000 28.291 12.904) 31.095 5.363 ( 0.000 21.449 2.876) 21.641 6.779 ( 0.000 -0.522 5.476) 5.501 6.785 ( 0.000 -2.691 2.584) 3.731 7.835 ( 0.000 -14.726 0.459) 14.733 7.966 ( 0.000 -8.245 6.074) 10.241 8.296 ( 0.000 2.201 16.233) 16.382 8.799 ( 0.000 2.699 9.456) 9.834 9.992 ( 0.000 2.037 4.506) 4.945 10.046 ( 0.000 5.576 2.089) 5.955 10.209 ( 0.000 0.287 11.707) 11.710 10.997 ( 0.000 -7.408 -9.699) 12.205 11.687 ( 0.000 5.623 1.366) 5.787 11.697 ( 0.000 4.826 -2.339) 5.362 12.936 ( 0.000 -7.904 4.448) 9.070 13.319 ( 0.000 -14.482 -8.570) 16.828 13.322 ( 0.000 9.368 -0.639) 9.390 13.498 ( 0.000 5.745 -7.196) 9.208 ======================= Grid point 716 (224/270) ======================= q-point: ( 0.10 0.22 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.005 ( -1.274 27.411 10.865) 29.513 5.233 ( -12.958 22.041 5.657) 26.187 6.552 ( -17.358 -0.622 2.225) 17.511 6.717 ( -9.641 -0.914 3.038) 10.149 7.762 ( -5.599 -13.479 0.169) 14.597 8.044 ( 4.950 -13.372 2.098) 14.412 8.330 ( 2.627 4.452 17.528) 18.274 8.771 ( -2.137 1.364 10.717) 11.013 9.918 ( -2.877 0.721 4.335) 5.252 10.153 ( 3.254 6.603 6.207) 9.629 10.255 ( 7.101 0.127 8.096) 10.770 11.029 ( 3.019 -5.889 -8.186) 10.526 11.663 ( -1.147 5.068 -0.552) 5.226 11.721 ( 1.250 5.582 -0.439) 5.737 12.954 ( 1.815 -8.564 4.006) 9.627 13.322 ( 0.542 -8.204 -5.941) 10.144 13.349 ( 2.275 4.129 -2.908) 5.538 13.509 ( 1.127 5.604 -6.983) 9.024 ======================= Grid point 717 (225/270) ======================= q-point: ( 0.20 0.22 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.828 ( -21.394 19.097 7.774) 29.713 4.997 ( -5.950 28.581 6.300) 29.865 6.167 ( -20.211 -0.318 0.965) 20.237 6.481 ( -12.779 4.448 -0.753) 13.552 7.651 ( -5.029 -15.385 0.902) 16.211 8.094 ( -0.985 -13.228 -0.386) 13.270 8.367 ( 1.421 1.084 15.817) 15.918 8.748 ( -0.022 -0.949 12.377) 12.414 9.889 ( -0.448 -0.528 4.968) 5.016 10.159 ( -1.175 0.342 8.479) 8.567 10.454 ( 11.194 6.536 6.116) 14.333 11.099 ( 3.481 -2.208 -4.470) 6.081 11.652 ( 0.243 5.272 -1.314) 5.439 11.742 ( 0.956 5.547 -0.429) 5.645 13.005 ( 3.339 -9.779 2.771) 10.699 13.333 ( 0.460 -8.965 -5.825) 10.701 13.406 ( 3.353 7.134 -2.289) 8.209 13.538 ( 1.692 5.432 -6.155) 8.382 ======================= Grid point 718 (226/270) ======================= q-point: ( 0.30 0.22 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( -20.850 18.658 6.933) 28.826 4.812 ( -14.772 23.151 -4.734) 27.867 5.843 ( -10.606 4.647 4.931) 12.585 6.244 ( -11.322 10.849 -3.378) 16.040 7.585 ( -1.332 -17.156 3.069) 17.479 7.998 ( -7.738 -9.711 3.027) 12.781 8.416 ( 3.728 -7.052 11.029) 13.611 8.744 ( -1.052 -3.401 10.840) 11.410 9.895 ( 1.033 -1.623 5.570) 5.893 10.122 ( -2.561 -3.093 8.193) 9.124 10.667 ( 10.291 9.509 7.088) 15.703 11.141 ( 0.397 2.336 0.184) 2.376 11.675 ( 2.000 5.246 -2.687) 6.225 11.759 ( 0.764 4.998 -1.298) 5.220 13.081 ( 4.270 -10.384 0.846) 11.259 13.333 ( -0.613 -8.640 -5.501) 10.261 13.473 ( 3.384 8.462 -1.914) 9.312 13.569 ( 1.257 5.860 -4.676) 7.602 ======================= Grid point 719 (227/270) ======================= q-point: ( 0.40 0.22 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.095 ( -7.010 17.829 0.687) 19.171 4.446 ( -19.962 17.286 -9.780) 28.159 5.768 ( 1.743 12.365 5.547) 13.664 6.036 ( -9.827 14.638 -2.062) 17.751 7.600 ( 2.746 -16.758 4.919) 17.680 7.833 ( -8.364 -11.253 5.429) 15.035 8.504 ( 4.983 -9.591 8.556) 13.785 8.696 ( -3.791 -6.462 8.732) 11.506 9.930 ( 2.545 -2.987 6.331) 7.448 10.062 ( -3.462 -4.537 7.744) 9.619 10.854 ( 8.708 10.322 7.477) 15.436 11.108 ( -3.640 6.469 4.211) 8.534 11.721 ( 2.375 4.800 -3.723) 6.522 11.769 ( 0.086 4.546 -2.563) 5.219 13.167 ( 4.400 -10.046 -1.506) 11.070 13.306 ( -2.202 -8.654 -4.927) 10.199 13.533 ( 2.571 8.606 -1.743) 9.150 13.583 ( 0.099 6.904 -3.101) 7.569 ======================= Grid point 720 (228/270) ======================= q-point: (-0.50 0.22 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( -10.224 16.632 -6.495) 20.575 4.130 ( 10.224 16.632 -6.495) 20.575 5.865 ( -7.313 15.378 1.731) 17.116 5.865 ( 7.313 15.378 1.731) 17.116 7.688 ( -6.105 -14.367 5.845) 16.669 7.688 ( 6.105 -14.367 5.845) 16.669 8.605 ( -5.168 -8.902 7.936) 12.998 8.605 ( 5.168 -8.902 7.936) 12.998 9.991 ( -3.550 -4.253 7.093) 9.000 9.991 ( 3.550 -4.253 7.093) 9.000 11.005 ( -6.645 9.222 6.615) 13.151 11.005 ( 6.645 9.222 6.615) 13.151 11.758 ( -1.231 4.489 -3.562) 5.862 11.758 ( 1.231 4.489 -3.562) 5.862 13.248 ( -3.650 -9.246 -3.622) 10.579 13.248 ( 3.650 -9.246 -3.622) 10.579 13.571 ( -1.295 7.978 -2.060) 8.341 13.571 ( 1.295 7.978 -2.060) 8.341 ======================= Grid point 726 (229/270) ======================= q-point: ( 0.00 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.558 ( 0.000 27.672 10.710) 29.673 5.783 ( 0.000 21.597 4.033) 21.971 6.716 ( 0.000 -4.869 5.932) 7.674 6.728 ( 0.000 -5.539 10.255) 11.656 7.592 ( 0.000 -9.777 -4.444) 10.740 7.755 ( 0.000 -11.950 -4.625) 12.813 8.412 ( 0.000 8.499 22.800) 24.332 8.809 ( 0.000 -1.773 12.894) 13.015 10.041 ( 0.000 3.102 4.779) 5.698 10.161 ( 0.000 4.306 2.681) 5.072 10.228 ( 0.000 3.858 7.182) 8.152 10.828 ( 0.000 -10.281 -5.969) 11.888 11.813 ( 0.000 7.324 -4.344) 8.515 11.815 ( 0.000 7.637 -0.360) 7.646 12.762 ( 0.000 -9.639 2.898) 10.065 13.001 ( 0.000 -17.765 -6.859) 19.044 13.501 ( 0.000 8.722 -1.294) 8.818 13.609 ( 0.000 4.989 -4.929) 7.013 ======================= Grid point 727 (230/270) ======================= q-point: ( 0.10 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.513 ( -6.480 24.884 8.158) 26.977 5.691 ( -7.913 24.875 7.143) 27.063 6.528 ( -16.621 -2.693 4.518) 17.434 6.653 ( -6.828 -5.871 8.137) 12.137 7.531 ( -6.216 -9.480 -5.348) 12.535 7.773 ( 1.705 -14.335 -2.895) 14.724 8.448 ( 2.184 7.395 19.943) 21.382 8.767 ( -3.483 -1.718 13.323) 13.878 9.949 ( -4.438 2.591 3.980) 6.500 10.180 ( -2.779 -2.671 8.763) 9.573 10.357 ( 12.681 9.260 2.312) 15.871 10.896 ( 6.234 -8.029 -3.679) 10.810 11.786 ( -0.894 7.816 -2.660) 8.305 11.850 ( 1.608 7.629 -1.845) 8.011 12.770 ( 0.941 -10.012 2.285) 10.312 13.021 ( 1.919 -17.268 -6.415) 18.520 13.522 ( 2.114 8.641 -1.367) 9.000 13.622 ( 1.273 5.148 -4.726) 7.104 ======================= Grid point 728 (231/270) ======================= q-point: ( 0.20 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.212 ( -22.343 20.602 7.969) 31.419 5.541 ( -9.938 26.134 2.153) 28.043 6.165 ( -16.589 0.119 6.780) 17.921 6.530 ( -4.992 0.441 2.213) 5.478 7.379 ( -8.188 -11.608 -4.035) 14.767 7.795 ( -0.275 -17.202 -1.371) 17.258 8.434 ( -3.855 5.127 14.862) 16.187 8.710 ( -2.119 -2.942 13.853) 14.319 9.893 ( -1.528 1.121 4.722) 5.088 10.111 ( -3.776 -4.474 7.401) 9.437 10.618 ( 13.140 9.705 4.911) 17.058 11.038 ( 7.499 -4.176 0.025) 8.583 11.783 ( 0.547 8.306 -2.717) 8.757 11.874 ( 0.844 7.897 -1.568) 8.095 12.804 ( 2.653 -10.525 0.991) 10.899 13.064 ( 2.166 -16.058 -5.788) 17.206 13.577 ( 3.281 8.428 -1.426) 9.156 13.656 ( 2.019 5.560 -4.094) 7.194 ======================= Grid point 729 (232/270) ======================= q-point: ( 0.30 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.756 ( -21.584 19.818 5.966) 29.904 5.197 ( -23.661 14.300 -7.728) 28.706 6.001 ( -0.571 12.717 10.333) 16.396 6.446 ( -4.274 10.079 -2.015) 11.131 7.252 ( -3.773 -16.394 -0.070) 16.823 7.736 ( -6.106 -17.573 0.591) 18.612 8.354 ( -2.741 0.486 12.291) 12.602 8.656 ( -3.983 -5.728 11.498) 13.449 9.879 ( -0.064 -0.023 5.369) 5.370 10.039 ( -3.489 -4.954 7.043) 9.291 10.856 ( 10.869 9.725 6.932) 16.148 11.163 ( 4.635 -0.333 3.124) 5.600 11.804 ( 1.483 8.096 -2.580) 8.625 11.884 ( 0.230 7.718 -1.920) 7.957 12.873 ( 4.234 -10.641 -0.663) 11.471 13.096 ( 0.862 -14.370 -5.473) 15.401 13.643 ( 3.188 8.124 -1.317) 8.826 13.695 ( 1.850 6.106 -3.114) 7.099 ======================= Grid point 730 (233/270) ======================= q-point: ( 0.40 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.444 ( -8.904 17.819 0.208) 19.921 4.734 ( -21.135 11.512 -8.815) 25.631 6.066 ( 5.881 18.480 6.477) 20.446 6.342 ( -6.434 17.565 -2.048) 18.818 7.250 ( 3.546 -19.381 3.326) 19.982 7.569 ( -10.036 -16.729 3.292) 19.785 8.351 ( 2.374 -5.520 10.035) 11.697 8.553 ( -6.147 -8.189 9.448) 13.932 9.890 ( 1.142 -1.277 5.899) 6.143 9.976 ( -3.000 -4.209 6.743) 8.496 11.040 ( 7.921 8.885 7.760) 14.209 11.208 ( -0.047 3.651 5.627) 6.707 11.836 ( 1.670 7.063 -2.415) 7.649 11.882 ( -0.430 7.041 -2.510) 7.487 12.962 ( 4.635 -10.640 -2.573) 11.888 13.092 ( -1.326 -12.551 -5.130) 13.624 13.696 ( 2.153 7.732 -1.207) 8.116 13.722 ( 0.818 6.693 -2.101) 7.062 ======================= Grid point 731 (234/270) ======================= q-point: (-0.50 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.435 ( -8.069 14.317 -5.670) 17.385 4.435 ( 8.069 14.317 -5.670) 17.385 6.202 ( -7.473 19.753 1.551) 21.176 6.202 ( 7.473 19.753 1.551) 21.176 7.377 ( -8.793 -18.167 4.369) 20.651 7.377 ( 8.793 -18.167 4.369) 20.651 8.433 ( -5.593 -8.495 8.989) 13.574 8.433 ( 5.593 -8.495 8.989) 13.574 9.923 ( -2.256 -2.802 6.334) 7.284 9.923 ( 2.256 -2.802 6.334) 7.284 11.163 ( -4.444 6.925 7.280) 10.986 11.163 ( 4.444 6.925 7.280) 10.986 11.866 ( -1.254 6.547 -2.557) 7.139 11.866 ( 1.254 6.547 -2.557) 7.139 13.044 ( -3.488 -11.187 -4.211) 12.452 13.044 ( 3.488 -11.187 -4.211) 12.452 13.724 ( -0.670 7.249 -1.417) 7.417 13.724 ( 0.670 7.249 -1.417) 7.417 ======================= Grid point 737 (235/270) ======================= q-point: ( 0.00 0.44 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.014 ( 0.000 18.797 7.490) 20.234 6.117 ( 0.000 10.435 2.833) 10.813 6.578 ( 0.000 -7.711 16.500) 18.213 6.595 ( 0.000 -7.163 11.688) 13.709 7.493 ( 0.000 -0.503 -9.150) 9.164 7.563 ( 0.000 -7.466 -8.859) 11.585 8.584 ( 0.000 9.000 21.119) 22.957 8.732 ( 0.000 -6.208 17.218) 18.303 10.104 ( 0.000 3.415 5.745) 6.683 10.160 ( 0.000 -2.182 7.132) 7.459 10.394 ( 0.000 11.158 -1.327) 11.237 10.616 ( 0.000 -11.833 -3.512) 12.344 11.948 ( 0.000 5.263 -5.192) 7.393 11.949 ( 0.000 5.062 -2.895) 5.831 12.618 ( 0.000 -3.492 1.112) 3.665 12.701 ( 0.000 -11.993 -3.099) 12.387 13.630 ( 0.000 4.556 -2.208) 5.063 13.666 ( 0.000 0.720 -3.416) 3.491 ======================= Grid point 738 (236/270) ======================= q-point: ( 0.10 0.44 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.928 ( -10.477 18.290 5.840) 21.872 6.070 ( -5.279 9.821 3.342) 11.640 6.433 ( -12.960 -3.996 13.540) 19.164 6.519 ( -5.053 -7.862 12.272) 15.426 7.438 ( -5.771 0.138 -9.142) 10.812 7.536 ( -2.274 -9.688 -7.224) 12.297 8.590 ( -0.174 7.114 18.769) 20.073 8.705 ( -2.615 -4.819 16.274) 17.172 10.017 ( -5.440 4.426 4.407) 8.282 10.106 ( -4.738 -4.668 6.144) 9.055 10.544 ( 12.145 10.056 1.361) 15.826 10.730 ( 9.751 -9.385 -0.408) 13.540 11.937 ( -0.073 6.757 -3.965) 7.835 11.974 ( 1.388 3.676 -3.760) 5.439 12.627 ( 1.030 -2.877 0.526) 3.101 12.724 ( 2.181 -12.392 -3.007) 12.937 13.649 ( 1.897 4.406 -2.168) 5.265 13.683 ( 1.593 0.897 -3.284) 3.758 ======================= Grid point 739 (237/270) ======================= q-point: ( 0.20 0.44 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.579 ( -23.506 17.205 5.701) 29.682 5.801 ( -23.088 -2.626 -0.831) 23.252 6.262 ( -1.815 12.192 13.091) 17.981 6.473 ( 0.852 -7.320 7.639) 10.614 7.283 ( -9.376 2.989 -7.769) 12.538 7.476 ( -4.119 -15.342 -4.566) 16.528 8.540 ( -5.148 5.692 14.436) 16.349 8.639 ( -4.102 -4.557 14.363) 15.617 9.935 ( -2.907 3.310 4.886) 6.579 10.016 ( -4.029 -5.049 5.759) 8.654 10.795 ( 12.594 8.653 4.556) 15.944 10.939 ( 10.636 -6.407 3.190) 12.820 11.944 ( 0.691 7.460 -3.432) 8.240 11.997 ( 0.866 3.054 -3.164) 4.482 12.664 ( 2.824 -1.959 -0.735) 3.515 12.778 ( 3.098 -12.621 -3.375) 13.427 13.699 ( 2.959 4.050 -1.957) 5.384 13.724 ( 2.516 1.334 -2.843) 4.024 ======================= Grid point 740 (238/270) ======================= q-point: ( 0.30 0.44 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.097 ( -23.419 15.200 2.526) 28.033 5.290 ( -26.214 -3.901 -3.560) 26.741 6.303 ( 4.841 16.917 9.050) 19.787 6.542 ( 5.592 -4.475 5.211) 8.857 7.092 ( -9.678 4.411 -4.817) 11.676 7.369 ( -6.869 -19.791 -1.956) 21.040 8.416 ( -6.563 5.398 12.070) 14.761 8.535 ( -6.392 -6.739 11.755) 14.982 9.896 ( -1.247 1.878 5.496) 5.941 9.952 ( -2.613 -3.972 6.043) 7.689 11.018 ( 9.889 7.215 6.669) 13.940 11.124 ( 7.844 -3.816 5.451) 10.286 11.958 ( 0.581 6.927 -2.389) 7.350 12.005 ( -0.101 3.015 -2.421) 3.868 12.735 ( 4.137 -1.912 -2.463) 5.180 12.837 ( 2.728 -11.466 -4.267) 12.535 13.757 ( 2.826 3.638 -1.524) 4.852 13.774 ( 2.381 1.849 -2.126) 3.689 ======================= Grid point 741 (239/270) ======================= q-point: ( 0.40 0.44 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.730 ( -12.732 11.396 -2.062) 17.211 4.845 ( -17.846 -0.219 -5.654) 18.721 6.431 ( 7.829 18.927 5.420) 21.187 6.653 ( 3.449 7.644 2.965) 8.894 6.938 ( -3.878 -5.805 -0.366) 6.991 7.206 ( -9.518 -20.766 0.659) 22.853 8.316 ( -2.954 1.812 10.694) 11.241 8.405 ( -6.311 -6.913 10.230) 13.866 9.882 ( -0.212 0.512 5.766) 5.792 9.911 ( -1.635 -2.524 6.039) 6.747 11.177 ( 6.163 5.318 7.520) 11.082 11.236 ( 3.453 -0.830 6.720) 7.601 11.966 ( 0.398 5.548 -1.382) 5.732 11.995 ( -0.828 3.177 -1.701) 3.697 12.815 ( 3.724 -3.239 -4.168) 6.459 12.875 ( 0.962 -8.898 -5.079) 10.290 13.803 ( 1.745 3.225 -1.091) 3.826 13.812 ( 1.321 2.339 -1.396) 3.027 ======================= Grid point 742 (240/270) ======================= q-point: (-0.50 0.44 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.632 ( -3.135 5.631 -5.281) 8.332 4.632 ( 3.135 5.631 -5.281) 8.332 6.591 ( -7.707 20.361 2.269) 21.889 6.591 ( 7.707 20.361 2.269) 21.889 7.013 ( -9.154 -19.528 2.443) 21.705 7.013 ( 9.154 -19.528 2.443) 21.705 8.312 ( -2.569 -3.592 9.972) 10.906 8.312 ( 2.569 -3.592 9.972) 10.906 9.887 ( -0.742 -0.979 5.894) 6.021 9.887 ( 0.742 -0.979 5.894) 6.021 11.255 ( -1.588 2.527 7.416) 7.994 11.255 ( 1.588 2.527 7.416) 7.994 11.977 ( -0.786 4.009 -1.189) 4.255 11.977 ( 0.786 4.009 -1.189) 4.255 12.869 ( -1.623 -5.808 -5.140) 7.923 12.869 ( 1.623 -5.808 -5.140) 7.923 13.823 ( -0.210 2.795 -0.997) 2.975 13.823 ( 0.210 2.795 -0.997) 2.975 ======================= Grid point 792 (241/270) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( 0.000 0.000 11.239) 11.239 4.826 ( 0.000 0.000 -5.881) 5.881 6.817 ( 0.000 0.000 1.518) 1.518 6.834 ( 0.000 0.000 -0.389) 0.389 8.295 ( 0.000 0.000 2.740) 2.740 8.359 ( 0.000 0.000 -3.224) 3.224 8.464 ( 0.000 0.000 17.350) 17.350 8.693 ( 0.000 0.000 -4.391) 4.391 10.009 ( 0.000 0.000 1.766) 1.766 10.014 ( 0.000 0.000 1.255) 1.255 10.473 ( 0.000 0.000 14.394) 14.394 10.797 ( 0.000 0.000 -16.661) 16.661 11.624 ( 0.000 0.000 1.291) 1.291 11.633 ( 0.000 0.000 0.402) 0.402 13.087 ( 0.000 0.000 4.231) 4.231 13.190 ( 0.000 0.000 -5.800) 5.800 13.278 ( 0.000 0.000 5.954) 5.954 13.431 ( 0.000 0.000 -8.981) 8.981 ======================= Grid point 793 (242/270) ======================= q-point: ( 0.10 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( -3.893 0.000 9.270) 10.054 4.747 ( -8.240 0.000 -3.702) 9.034 6.629 ( -17.226 0.000 1.751) 17.315 6.658 ( -16.855 0.000 -1.251) 16.902 8.220 ( -4.502 0.000 5.256) 6.920 8.308 ( -3.902 0.000 -3.523) 5.257 8.593 ( 9.044 0.000 12.143) 15.141 8.747 ( 4.141 0.000 -1.976) 4.588 10.021 ( 1.218 0.000 1.790) 2.165 10.023 ( 1.083 0.000 1.604) 1.935 10.521 ( 4.393 0.000 13.373) 14.076 10.823 ( 2.506 0.000 -15.639) 15.839 11.616 ( -0.733 0.000 1.645) 1.801 11.634 ( 0.091 0.000 -0.065) 0.111 13.113 ( 2.415 0.000 3.607) 4.341 13.203 ( 1.178 0.000 -5.216) 5.347 13.288 ( 1.082 0.000 5.826) 5.926 13.438 ( 0.726 0.000 -8.756) 8.786 ======================= Grid point 794 (243/270) ======================= q-point: ( 0.20 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.481 ( -10.049 0.000 3.297) 10.576 4.495 ( -17.376 0.000 1.822) 17.471 6.239 ( -20.220 0.000 -0.144) 20.221 6.246 ( -22.893 0.000 -1.006) 22.915 8.146 ( -3.040 0.000 5.484) 6.270 8.236 ( -3.357 0.000 -3.048) 4.535 8.752 ( 6.713 0.000 7.568) 10.116 8.820 ( 3.038 0.000 1.271) 3.293 10.057 ( 2.469 0.000 2.158) 3.279 10.062 ( 2.978 0.000 1.711) 3.435 10.619 ( 4.890 0.000 11.733) 12.711 10.879 ( 2.661 0.000 -13.256) 13.520 11.600 ( -0.718 0.000 2.235) 2.348 11.637 ( 0.188 0.000 -1.170) 1.185 13.169 ( 2.911 0.000 1.994) 3.528 13.229 ( 1.326 0.000 -3.955) 4.171 13.321 ( 2.313 0.000 5.403) 5.877 13.458 ( 1.188 0.000 -7.870) 7.959 ======================= Grid point 795 (244/270) ======================= q-point: ( 0.30 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -21.556 0.000 5.848) 22.335 4.207 ( -17.526 0.000 -4.507) 18.096 5.845 ( -16.336 0.000 1.867) 16.443 5.894 ( -14.389 0.000 -2.530) 14.609 8.099 ( -1.828 0.000 5.327) 5.632 8.174 ( -2.984 0.000 -1.762) 3.465 8.852 ( 3.592 0.000 4.411) 5.689 8.867 ( 1.912 0.000 2.925) 3.494 10.119 ( 3.804 0.000 3.089) 4.900 10.138 ( 4.550 0.000 1.343) 4.744 10.698 ( 3.052 0.000 10.025) 10.479 10.909 ( 0.021 0.000 -10.014) 10.014 11.593 ( 0.069 0.000 1.966) 1.967 11.639 ( 0.047 0.000 -2.219) 2.220 13.215 ( 1.710 0.000 0.454) 1.769 13.249 ( 0.663 0.000 -2.889) 2.964 13.377 ( 3.217 0.000 4.061) 5.181 13.480 ( 0.973 0.000 -6.019) 6.097 ======================= Grid point 796 (245/270) ======================= q-point: ( 0.40 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( -13.418 0.000 3.662) 13.909 3.848 ( -16.901 0.000 -7.306) 18.413 5.627 ( -6.181 0.000 2.879) 6.818 5.678 ( -7.819 0.000 -1.921) 8.052 8.076 ( -0.395 0.000 4.301) 4.319 8.120 ( -2.414 0.000 0.216) 2.424 8.897 ( 1.105 0.000 3.176) 3.363 8.899 ( 1.320 0.000 3.046) 3.320 10.198 ( 3.872 0.000 3.898) 5.495 10.223 ( 3.431 0.000 1.692) 3.826 10.746 ( 2.336 0.000 6.637) 7.036 10.877 ( -3.106 0.000 -5.425) 6.251 11.603 ( 0.877 0.000 0.369) 0.952 11.636 ( -0.432 0.000 -2.461) 2.498 13.238 ( 0.794 0.000 -0.591) 0.990 13.255 ( -0.043 0.000 -2.187) 2.187 13.438 ( 2.708 0.000 1.783) 3.243 13.491 ( 0.018 0.000 -3.471) 3.471 ======================= Grid point 797 (246/270) ======================= q-point: (-0.50 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -3.566 0.000 -2.875) 4.580 3.631 ( 3.566 0.000 -2.875) 4.580 5.585 ( -1.527 0.000 0.735) 1.695 5.585 ( 1.527 0.000 0.735) 1.695 8.084 ( -1.176 0.000 2.432) 2.701 8.084 ( 1.176 0.000 2.432) 2.701 8.909 ( -0.136 0.000 2.924) 2.927 8.909 ( 0.136 0.000 2.924) 2.927 10.250 ( -0.908 0.000 3.308) 3.431 10.250 ( 0.908 0.000 3.308) 3.431 10.804 ( -3.681 0.000 0.627) 3.734 10.804 ( 3.681 0.000 0.627) 3.734 11.622 ( -0.937 0.000 -1.493) 1.762 11.622 ( 0.937 0.000 -1.493) 1.762 13.250 ( -0.430 0.000 -1.474) 1.535 13.250 ( 0.430 0.000 -1.474) 1.535 13.478 ( -1.363 0.000 -0.786) 1.573 13.478 ( 1.363 0.000 -0.786) 1.573 ======================= Grid point 803 (247/270) ======================= q-point: ( 0.00 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.816 ( 0.000 16.784 10.386) 19.738 4.976 ( 0.000 15.152 -5.111) 15.991 6.825 ( 0.000 0.798 1.247) 1.480 6.833 ( 0.000 -0.112 0.187) 0.218 8.158 ( 0.000 -12.586 2.986) 12.936 8.215 ( 0.000 -11.797 -1.518) 11.894 8.549 ( 0.000 5.905 15.167) 16.276 8.762 ( 0.000 5.733 -4.284) 7.157 10.021 ( 0.000 1.380 1.328) 1.915 10.022 ( 0.000 0.918 1.300) 1.591 10.471 ( 0.000 -0.312 14.112) 14.115 10.785 ( 0.000 -1.320 -16.019) 16.073 11.642 ( 0.000 1.950 0.895) 2.145 11.645 ( 0.000 1.333 0.540) 1.439 13.133 ( 0.000 2.644 5.488) 6.092 13.237 ( 0.000 -2.326 3.744) 4.407 13.246 ( 0.000 5.580 -5.551) 7.871 13.359 ( 0.000 -7.400 -8.182) 11.031 ======================= Grid point 804 (248/270) ======================= q-point: ( 0.10 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( -4.379 16.256 8.125) 18.694 4.897 ( -8.268 15.259 -2.602) 17.549 6.593 ( -18.935 -1.656 0.508) 19.014 6.710 ( -14.237 3.198 0.186) 14.593 8.061 ( -5.321 -13.189 1.922) 14.351 8.270 ( 0.990 -7.910 -1.300) 8.077 8.574 ( 2.927 1.361 10.896) 11.364 8.816 ( 4.297 4.950 0.303) 6.562 9.985 ( -0.830 -1.202 1.586) 2.156 10.097 ( 4.331 5.089 1.484) 6.845 10.501 ( 2.980 -2.191 11.749) 12.318 10.826 ( 3.833 0.185 -13.714) 14.241 11.621 ( -1.121 0.944 0.814) 1.676 11.660 ( 0.635 2.529 0.551) 2.665 13.162 ( 2.784 2.537 5.038) 6.290 13.240 ( 0.250 -2.625 3.111) 4.079 13.260 ( 1.286 5.644 -4.822) 7.534 13.371 ( 1.242 -6.918 -7.775) 10.481 ======================= Grid point 805 (249/270) ======================= q-point: ( 0.20 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( -14.607 13.141 2.245) 19.776 4.657 ( -14.218 16.545 2.775) 21.991 6.179 ( -20.965 -1.528 -0.261) 21.022 6.351 ( -19.991 6.099 -0.740) 20.914 7.980 ( -2.917 -13.925 1.994) 14.366 8.244 ( -3.048 -2.969 -0.404) 4.274 8.647 ( 3.991 -5.937 5.797) 9.208 8.892 ( 2.931 3.562 3.827) 5.994 9.987 ( 1.031 -2.617 1.772) 3.324 10.180 ( 3.918 7.138 2.152) 8.422 10.580 ( 4.843 -3.270 8.127) 10.009 10.914 ( 4.431 3.073 -9.695) 11.094 11.603 ( -0.588 0.823 1.037) 1.448 11.668 ( 0.195 3.005 -0.085) 3.013 13.232 ( 3.875 3.972 3.186) 6.398 13.247 ( 0.518 -3.998 2.063) 4.529 13.290 ( 1.719 4.502 -2.931) 5.641 13.405 ( 2.017 -5.309 -6.653) 8.747 ======================= Grid point 806 (250/270) ======================= q-point: ( 0.30 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( -21.982 12.361 6.356) 26.008 4.345 ( -18.747 13.889 -5.306) 23.927 5.838 ( -12.925 1.974 1.579) 13.169 5.998 ( -14.973 8.113 -1.925) 17.139 7.946 ( -0.542 -13.387 2.449) 13.620 8.166 ( -4.627 -3.179 0.644) 5.651 8.723 ( 3.708 -8.314 3.778) 9.856 8.923 ( 0.250 1.115 3.930) 4.093 10.026 ( 2.968 -4.131 2.012) 5.470 10.241 ( 2.031 3.982 2.753) 5.249 10.681 ( 5.372 0.500 5.768) 7.898 10.978 ( 1.725 5.883 -6.044) 8.609 11.600 ( 0.337 1.147 0.871) 1.479 11.668 ( -0.207 2.877 -1.122) 3.095 13.256 ( 0.549 -0.913 0.171) 1.079 13.288 ( 1.153 3.333 -0.834) 3.624 13.341 ( 3.667 0.819 1.179) 3.938 13.443 ( 1.705 -3.152 -4.795) 5.987 ======================= Grid point 807 (251/270) ======================= q-point: ( 0.40 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( -13.537 11.794 3.882) 18.369 3.970 ( -17.363 12.155 -7.489) 22.479 5.676 ( -4.005 6.063 2.590) 7.715 5.771 ( -8.361 8.778 -1.560) 12.222 7.956 ( 1.410 -11.411 2.642) 11.798 8.075 ( -4.406 -5.689 1.590) 7.369 8.793 ( 3.474 -7.604 3.105) 8.918 8.906 ( -1.848 -2.126 3.261) 4.309 10.101 ( 4.497 -5.447 2.436) 7.472 10.248 ( -1.425 -1.790 3.058) 3.820 10.791 ( 5.793 6.140 3.728) 9.228 10.974 ( -2.162 8.163 -2.300) 8.752 11.616 ( 1.139 1.562 -0.241) 1.948 11.659 ( -0.730 2.451 -1.826) 3.142 13.268 ( 0.671 -0.111 -0.798) 1.049 13.293 ( -0.317 2.552 -1.728) 3.099 13.411 ( 3.089 0.022 0.849) 3.204 13.465 ( 0.395 -1.470 -2.647) 3.054 ======================= Grid point 808 (252/270) ======================= q-point: (-0.50 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( -3.658 11.746 -2.738) 12.603 3.748 ( 3.658 11.746 -2.738) 12.603 5.664 ( -2.568 8.241 0.690) 8.660 5.664 ( 2.568 8.241 0.690) 8.660 8.000 ( -3.096 -8.652 2.321) 9.478 8.000 ( 3.096 -8.652 2.321) 9.478 8.857 ( -2.998 -5.292 2.958) 6.764 8.857 ( 2.998 -5.292 2.958) 6.764 10.190 ( -4.170 -5.201 2.886) 7.264 10.190 ( 4.170 -5.201 2.886) 7.264 10.900 ( -4.990 8.813 1.139) 10.192 10.900 ( 4.990 8.813 1.139) 10.192 11.640 ( -1.212 1.991 -1.496) 2.770 11.640 ( 1.212 1.991 -1.496) 2.770 13.282 ( -0.719 1.178 -1.469) 2.015 13.282 ( 0.719 1.178 -1.469) 2.015 13.456 ( -1.382 -0.492 -0.714) 1.631 13.456 ( 1.382 -0.492 -0.714) 1.631 ======================= Grid point 814 (253/270) ======================= q-point: ( 0.00 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.234 ( 0.000 25.808 8.406) 27.143 5.356 ( 0.000 23.486 -3.284) 23.715 6.830 ( 0.000 -0.104 1.774) 1.777 6.844 ( 0.000 1.184 0.906) 1.491 7.871 ( 0.000 -16.819 3.102) 17.103 7.948 ( 0.000 -15.899 -3.706) 16.325 8.670 ( 0.000 6.881 15.662) 17.107 8.872 ( 0.000 5.399 -3.160) 6.256 10.051 ( 0.000 2.180 1.492) 2.641 10.063 ( 0.000 3.170 0.068) 3.171 10.457 ( 0.000 -1.269 12.907) 12.970 10.740 ( 0.000 -3.657 -14.038) 14.507 11.689 ( 0.000 3.473 0.657) 3.535 11.700 ( 0.000 4.171 -0.094) 4.172 13.035 ( 0.000 -10.127 5.282) 11.422 13.159 ( 0.000 -13.033 -6.895) 14.744 13.329 ( 0.000 8.804 1.457) 8.924 13.384 ( 0.000 8.115 -3.995) 9.045 ======================= Grid point 815 (254/270) ======================= q-point: ( 0.10 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.171 ( -6.843 23.807 4.797) 25.231 5.292 ( -6.781 25.228 0.626) 26.131 6.581 ( -19.216 0.388 0.721) 19.233 6.759 ( -11.792 1.725 0.954) 11.956 7.768 ( -6.285 -16.996 0.417) 18.126 8.032 ( 4.495 -15.656 -1.070) 16.324 8.649 ( -2.294 5.633 10.218) 11.891 8.899 ( 2.249 3.535 1.779) 4.552 9.975 ( -2.259 0.179 1.293) 2.609 10.215 ( 8.210 7.330 0.969) 11.049 10.437 ( -0.075 -4.555 8.046) 9.246 10.823 ( 7.112 -0.787 -9.278) 11.716 11.661 ( -1.352 3.465 0.257) 3.728 11.728 ( 1.379 4.581 0.320) 4.794 13.037 ( 0.406 -11.136 3.726) 11.750 13.186 ( 2.289 -12.286 -5.260) 13.559 13.346 ( 1.740 9.079 1.272) 9.332 13.399 ( 1.467 8.245 -3.864) 9.223 ======================= Grid point 816 (255/270) ======================= q-point: ( 0.20 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.941 ( -17.166 20.285 2.974) 26.739 5.073 ( -15.831 25.572 1.488) 30.113 6.193 ( -17.575 3.195 1.082) 17.896 6.457 ( -16.689 4.748 -1.067) 17.384 7.666 ( -3.677 -18.325 0.533) 18.698 8.083 ( 0.224 -13.507 -0.405) 13.515 8.594 ( -2.449 0.554 5.822) 6.340 8.931 ( 0.421 0.521 4.781) 4.827 9.955 ( -0.022 -0.876 1.560) 1.789 10.282 ( -0.988 1.322 3.156) 3.562 10.550 ( 10.686 2.382 3.164) 11.396 10.973 ( 7.454 2.766 -5.231) 9.517 11.644 ( -0.316 3.705 0.139) 3.722 11.746 ( 0.473 5.193 0.256) 5.221 13.056 ( 1.573 -12.094 1.842) 12.334 13.229 ( 1.750 -10.923 -3.353) 11.559 13.395 ( 3.118 9.356 0.898) 9.902 13.440 ( 2.602 8.232 -3.449) 9.297 ======================= Grid point 817 (256/270) ======================= q-point: ( 0.30 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.526 ( -22.920 18.745 6.987) 30.423 4.685 ( -22.483 20.209 -6.933) 31.016 5.947 ( -7.581 9.829 4.080) 13.066 6.168 ( -12.062 9.435 -3.228) 15.650 7.632 ( 0.186 -19.067 1.261) 19.109 8.032 ( -5.209 -11.230 0.618) 12.395 8.579 ( 1.123 -5.749 4.230) 7.225 8.906 ( -2.908 -2.812 4.263) 5.876 9.970 ( 1.560 -1.914 1.798) 3.055 10.239 ( -2.975 -3.856 2.997) 5.718 10.771 ( 10.875 8.442 2.955) 14.081 11.094 ( 4.401 5.711 -2.849) 7.753 11.649 ( 0.771 4.193 -0.208) 4.269 11.746 ( -0.411 5.389 -0.261) 5.411 13.096 ( 2.365 -11.793 0.494) 12.038 13.247 ( 0.060 -9.430 -2.412) 9.734 13.460 ( 3.283 9.168 0.519) 9.752 13.494 ( 2.631 7.943 -2.621) 8.769 ======================= Grid point 818 (257/270) ======================= q-point: ( 0.40 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( -13.964 17.816 4.043) 22.994 4.264 ( -18.367 17.463 -7.576) 26.452 5.868 ( -1.098 14.189 3.771) 14.723 5.985 ( -6.897 13.391 -2.539) 15.275 7.671 ( 3.682 -18.000 1.822) 18.463 7.904 ( -7.177 -12.245 1.616) 14.285 8.632 ( 3.938 -8.645 3.388) 10.086 8.826 ( -4.959 -6.048 3.416) 8.534 10.016 ( 3.131 -3.454 2.089) 5.109 10.170 ( -3.957 -5.455 2.696) 7.258 10.961 ( 8.285 10.460 2.921) 13.660 11.136 ( -0.130 8.298 -0.432) 8.310 11.672 ( 1.526 4.611 -0.946) 4.948 11.731 ( -1.117 5.213 -1.062) 5.436 13.145 ( 2.603 -10.606 -0.569) 10.936 13.233 ( -1.443 -8.866 -1.931) 9.188 13.516 ( 2.233 8.802 0.006) 9.081 13.535 ( 1.370 7.965 -1.562) 8.232 ======================= Grid point 819 (258/270) ======================= q-point: (-0.50 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( -3.594 17.326 -2.433) 17.862 4.036 ( 3.594 17.326 -2.433) 17.862 5.889 ( -2.997 15.143 0.587) 15.448 5.889 ( 2.997 15.143 0.587) 15.448 7.769 ( -6.168 -15.270 1.997) 16.590 7.769 ( 6.168 -15.270 1.997) 16.590 8.723 ( -5.193 -8.313 3.124) 10.288 8.723 ( 5.193 -8.313 3.124) 10.288 10.089 ( -4.113 -5.000 2.390) 6.901 10.089 ( 4.113 -5.000 2.390) 6.901 11.089 ( -4.618 10.126 1.805) 11.274 11.089 ( 4.618 10.126 1.805) 11.274 11.704 ( -1.596 4.921 -1.435) 5.368 11.704 ( 1.596 4.921 -1.435) 5.368 13.194 ( -2.338 -9.387 -1.381) 9.772 13.194 ( 2.338 -9.387 -1.381) 9.772 13.543 ( -0.496 8.339 -0.665) 8.380 13.543 ( 0.496 8.339 -0.665) 8.380 ======================= Grid point 825 (259/270) ======================= q-point: ( 0.00 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.731 ( 0.000 25.054 6.086) 25.783 5.808 ( 0.000 22.661 -1.352) 22.702 6.827 ( 0.000 -0.326 4.472) 4.484 6.863 ( 0.000 0.514 2.112) 2.174 7.552 ( 0.000 -15.851 1.343) 15.907 7.638 ( 0.000 -16.066 -5.913) 17.119 8.804 ( 0.000 6.964 14.182) 15.800 8.955 ( 0.000 3.020 0.186) 3.026 10.108 ( 0.000 3.907 2.146) 4.457 10.146 ( 0.000 5.587 -1.800) 5.870 10.418 ( 0.000 -2.866 10.242) 10.636 10.642 ( 0.000 -6.674 -10.956) 12.829 11.778 ( 0.000 5.802 0.240) 5.807 11.798 ( 0.000 5.901 -1.200) 6.022 12.820 ( 0.000 -11.621 2.885) 11.974 12.889 ( 0.000 -14.469 -4.144) 15.051 13.494 ( 0.000 7.807 0.689) 7.837 13.530 ( 0.000 6.596 -2.786) 7.161 ======================= Grid point 826 (260/270) ======================= q-point: ( 0.10 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.624 ( -9.948 23.001 2.661) 25.201 5.785 ( -4.644 24.494 2.183) 25.025 6.606 ( -17.350 2.188 2.528) 17.669 6.768 ( -10.704 -0.792 2.716) 11.072 7.453 ( -6.910 -14.946 -1.861) 16.571 7.712 ( 4.397 -17.406 -2.085) 18.074 8.767 ( -4.225 6.421 9.472) 12.199 8.945 ( -0.751 1.254 3.640) 3.922 9.997 ( -3.817 2.339 0.963) 4.580 10.324 ( -6.204 -5.560 4.581) 9.507 10.376 ( 14.845 7.786 0.155) 16.763 10.786 ( 10.915 -3.296 -4.792) 12.368 11.754 ( -1.038 6.286 -0.395) 6.383 11.831 ( 1.936 5.950 -0.514) 6.279 12.807 ( -0.448 -12.032 1.228) 12.102 12.927 ( 2.989 -14.183 -2.573) 14.721 13.514 ( 1.926 7.839 0.547) 8.091 13.546 ( 1.652 6.699 -2.612) 7.378 ======================= Grid point 827 (261/270) ======================= q-point: ( 0.20 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.336 ( -19.732 20.328 3.708) 28.572 5.539 ( -21.291 20.784 -1.224) 29.778 6.309 ( -10.039 9.124 5.680) 14.707 6.527 ( -11.540 2.902 -1.864) 12.044 7.324 ( -5.550 -16.308 -1.193) 17.268 7.770 ( 1.066 -18.739 -0.780) 18.786 8.649 ( -6.971 4.590 5.506) 9.999 8.914 ( -2.939 -2.264 5.326) 6.490 9.955 ( -0.906 0.985 1.393) 1.932 10.217 ( -4.624 -6.268 2.720) 8.250 10.680 ( 15.263 9.234 1.380) 17.892 11.003 ( 10.421 0.003 -1.996) 10.611 11.747 ( 0.241 7.004 -0.659) 7.039 11.861 ( 1.023 6.494 -0.237) 6.578 12.816 ( 1.403 -12.178 0.233) 12.261 12.985 ( 2.595 -13.995 -1.895) 14.359 13.565 ( 3.171 7.889 0.289) 8.507 13.591 ( 2.736 6.940 -2.174) 7.770 ======================= Grid point 828 (262/270) ======================= q-point: ( 0.30 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.882 ( -24.463 17.562 6.256) 30.757 5.037 ( -26.747 15.196 -7.318) 31.621 6.200 ( -2.431 15.349 8.662) 17.792 6.362 ( -5.457 12.191 -5.889) 14.597 7.258 ( -0.821 -19.223 0.340) 19.244 7.742 ( -4.162 -18.974 0.081) 19.425 8.530 ( -4.314 0.574 4.468) 6.238 8.824 ( -6.023 -5.577 4.364) 9.297 9.951 ( 0.398 -0.093 1.691) 1.740 10.137 ( -3.725 -5.999 2.391) 7.455 10.952 ( 12.180 9.592 2.498) 15.703 11.176 ( 6.951 2.671 -0.653) 7.475 11.762 ( 1.224 7.575 -1.010) 7.739 11.869 ( -0.190 7.103 -0.196) 7.108 12.860 ( 2.897 -12.038 -0.451) 12.390 13.021 ( 0.958 -13.368 -1.783) 13.520 13.630 ( 3.176 7.891 0.077) 8.506 13.647 ( 2.739 7.204 -1.587) 7.869 ======================= Grid point 829 (263/270) ======================= q-point: ( 0.40 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.475 ( -14.859 16.050 3.041) 22.083 4.574 ( -18.839 13.882 -6.396) 24.260 6.187 ( 0.866 17.902 5.196) 18.661 6.283 ( -3.281 18.980 -3.688) 19.611 7.299 ( 4.932 -20.540 1.296) 21.164 7.613 ( -8.465 -18.425 1.022) 20.302 8.498 ( 1.154 -4.680 3.808) 6.143 8.692 ( -7.059 -7.692 3.587) 11.040 9.969 ( 1.487 -1.530 1.898) 2.856 10.068 ( -3.305 -4.941 2.231) 6.349 11.150 ( 7.874 8.812 2.877) 12.163 11.267 ( 2.127 5.055 0.703) 5.529 11.791 ( 1.710 7.725 -1.269) 8.013 11.855 ( -1.174 7.446 -0.566) 7.559 12.923 ( 3.341 -11.769 -1.082) 12.282 13.020 ( -1.032 -12.462 -1.766) 12.629 13.682 ( 2.017 7.821 -0.153) 8.079 13.691 ( 1.590 7.447 -0.969) 7.676 ======================= Grid point 830 (264/270) ======================= q-point: (-0.50 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( -2.831 14.770 -2.156) 15.193 4.352 ( 2.831 14.770 -2.156) 15.193 6.224 ( -2.635 19.852 0.548) 20.034 6.224 ( 2.635 19.852 0.548) 20.034 7.438 ( -8.646 -19.378 1.506) 21.272 7.438 ( 8.646 -19.378 1.506) 21.272 8.566 ( -5.343 -7.686 3.443) 9.974 8.566 ( 5.343 -7.686 3.443) 9.974 10.009 ( -2.571 -3.303 2.062) 4.666 10.009 ( 2.571 -3.303 2.062) 4.666 11.258 ( -3.045 7.203 2.149) 8.110 11.258 ( 3.045 7.203 2.149) 8.110 11.826 ( -1.704 7.601 -1.101) 7.867 11.826 ( 1.704 7.601 -1.101) 7.867 12.983 ( -2.639 -11.829 -1.560) 12.219 12.983 ( 2.639 -11.829 -1.560) 12.219 13.705 ( -0.222 7.665 -0.480) 7.683 13.705 ( 0.222 7.665 -0.480) 7.683 ======================= Grid point 836 (265/270) ======================= q-point: ( 0.00 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.117 ( 0.000 13.308 2.890) 13.618 6.145 ( 0.000 10.474 0.018) 10.474 6.820 ( 0.000 0.012 8.821) 8.821 6.849 ( 0.000 -2.190 7.806) 8.107 7.329 ( 0.000 -5.566 -4.821) 7.364 7.379 ( 0.000 -9.799 -8.057) 12.686 8.920 ( 0.000 4.843 10.484) 11.549 8.976 ( 0.000 -0.919 5.288) 5.367 10.195 ( 0.000 4.954 3.507) 6.069 10.248 ( 0.000 2.383 -0.128) 2.387 10.375 ( 0.000 1.039 2.568) 2.770 10.494 ( 0.000 -8.431 -7.166) 11.065 11.886 ( 0.000 4.436 -0.943) 4.535 11.898 ( 0.000 3.436 -1.765) 3.863 12.640 ( 0.000 -5.704 0.951) 5.783 12.660 ( 0.000 -7.976 -1.192) 8.065 13.604 ( 0.000 3.388 -0.349) 3.406 13.616 ( 0.000 2.121 -1.519) 2.609 ======================= Grid point 837 (266/270) ======================= q-point: ( 0.10 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.001 ( -10.801 15.245 1.585) 18.750 6.109 ( -7.201 6.434 0.789) 9.689 6.662 ( -12.406 3.668 7.331) 14.870 6.730 ( -10.245 -3.074 6.476) 12.504 7.272 ( -4.963 -1.919 -5.659) 7.768 7.404 ( 1.170 -13.835 -4.485) 14.591 8.877 ( -4.525 4.860 8.036) 10.425 8.941 ( -3.319 -1.813 5.915) 7.020 10.069 ( -5.476 5.306 1.005) 7.691 10.191 ( -6.238 -7.213 2.099) 9.764 10.545 ( 15.073 8.815 -0.498) 17.469 10.693 ( 13.921 -6.545 -1.846) 15.493 11.880 ( 0.014 5.848 -1.271) 5.985 11.921 ( 1.651 2.202 -1.405) 3.090 12.635 ( 0.172 -4.284 0.188) 4.292 12.690 ( 2.255 -9.379 -0.620) 9.666 13.623 ( 1.917 3.356 -0.387) 3.885 13.634 ( 1.817 2.194 -1.436) 3.190 ======================= Grid point 838 (267/270) ======================= q-point: ( 0.20 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.665 ( -23.459 12.987 2.593) 26.939 5.772 ( -26.019 2.911 -1.442) 26.221 6.490 ( -4.587 7.750 8.389) 12.308 6.572 ( -3.087 0.252 0.924) 3.232 7.153 ( -6.830 2.283 -3.976) 8.227 7.400 ( -1.653 -19.169 -2.227) 19.369 8.750 ( -7.944 5.639 5.403) 11.140 8.848 ( -6.169 -4.526 5.449) 9.393 9.998 ( -2.213 3.657 1.405) 4.500 10.093 ( -3.809 -6.191 1.789) 7.485 10.849 ( 14.931 7.945 1.051) 16.946 10.965 ( 13.033 -4.107 0.103) 13.666 11.890 ( 0.975 7.058 -1.360) 7.253 11.953 ( 1.450 1.572 -1.149) 2.428 12.653 ( 1.688 -2.986 -0.309) 3.443 12.738 ( 2.479 -10.637 -0.781) 10.950 13.674 ( 3.141 3.273 -0.415) 4.555 13.683 ( 2.984 2.384 -1.206) 4.005 ======================= Grid point 839 (268/270) ======================= q-point: ( 0.30 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 765 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.149 ( -26.652 9.571 2.623) 28.439 5.215 ( -28.033 2.981 -3.457) 28.402 6.456 ( 0.963 12.082 4.955) 13.095 6.602 ( 4.539 4.303 0.700) 6.294 7.018 ( -6.466 1.934 -1.964) 7.029 7.338 ( -4.757 -22.626 -0.884) 23.138 8.589 ( -7.786 5.167 4.411) 10.333 8.705 ( -8.051 -6.641 4.360) 11.310 9.969 ( -0.899 2.114 1.718) 2.869 10.033 ( -2.472 -4.602 1.932) 5.570 11.107 ( 11.111 6.386 2.131) 12.991 11.186 ( 9.191 -1.807 1.086) 9.430 11.914 ( 1.301 7.267 -1.286) 7.493 11.973 ( 0.540 2.103 -0.760) 2.300 12.698 ( 2.739 -2.989 -0.971) 4.169 12.781 ( 1.818 -10.460 -1.253) 10.690 13.738 ( 3.126 3.175 -0.358) 4.470 13.743 ( 2.977 2.607 -0.878) 4.054 ======================= Grid point 840 (269/270) ======================= q-point: ( 0.40 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 766 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.709 ( -16.353 7.793 0.301) 18.118 4.749 ( -18.011 3.818 -3.389) 18.720 6.516 ( 4.751 17.246 2.457) 18.056 6.683 ( 1.252 17.230 0.260) 17.277 6.939 ( 0.435 -12.402 0.265) 12.412 7.214 ( -7.695 -22.989 0.173) 24.243 8.470 ( -3.687 1.765 3.958) 5.690 8.553 ( -6.898 -6.404 3.807) 10.153 9.959 ( -0.096 0.543 1.831) 1.913 9.992 ( -1.729 -2.919 1.936) 3.906 11.279 ( 6.273 4.565 2.471) 8.142 11.319 ( 4.283 0.339 1.680) 4.613 11.938 ( 1.155 6.424 -0.918) 6.592 11.974 ( -0.462 3.357 -0.453) 3.419 12.753 ( 2.650 -4.280 -1.630) 5.292 12.804 ( 0.382 -8.833 -1.755) 9.013 13.789 ( 1.923 3.078 -0.298) 3.642 13.792 ( 1.791 2.799 -0.550) 3.368 ======================= Grid point 841 (270/270) ======================= q-point: (-0.50 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 Number of triplets: 459 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( -1.111 5.752 -2.029) 6.200 4.554 ( 1.111 5.752 -2.029) 6.200 6.623 ( -5.526 21.598 0.785) 22.307 6.623 ( 5.526 21.598 0.785) 22.307 7.049 ( -8.522 -21.234 0.903) 22.898 7.049 ( 8.522 -21.234 0.903) 22.898 8.457 ( -2.365 -3.178 3.732) 5.443 8.457 ( 2.365 -3.178 3.732) 5.443 9.966 ( -0.842 -1.168 1.880) 2.368 9.966 ( 0.842 -1.168 1.880) 2.368 11.351 ( -1.045 2.511 2.185) 3.489 11.351 ( 1.045 2.511 2.185) 3.489 11.959 ( -0.966 4.924 -0.511) 5.043 11.959 ( 0.966 4.924 -0.511) 5.043 12.794 ( -1.380 -6.463 -1.940) 6.887 12.794 ( 1.380 -6.463 -1.940) 6.887 13.809 ( -0.066 2.956 -0.344) 2.977 13.809 ( 0.066 2.956 -0.343) 2.977 =================== 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 3/27540 10.0 733.200 3267.381 1786.033 0.000 0.000 -0.000 3/27540 20.0 2587.243 3858.592 2856.174 0.000 0.000 -0.000 3/27540 30.0 2070.741 2237.274 1889.125 0.000 0.000 -0.000 3/27540 40.0 1220.341 1324.779 1093.317 0.000 0.000 -0.000 3/27540 50.0 729.662 823.936 649.620 0.000 0.000 -0.000 3/27540 60.0 478.486 550.557 421.190 0.000 0.000 -0.000 3/27540 70.0 341.364 395.400 298.401 0.000 0.000 -0.000 3/27540 80.0 259.621 301.200 227.257 0.000 0.000 -0.000 3/27540 90.0 207.027 240.061 182.815 0.000 0.000 -0.000 3/27540 100.0 171.062 198.072 153.142 0.000 0.000 -0.000 3/27540 110.0 145.259 167.892 132.184 0.000 0.000 -0.000 3/27540 120.0 126.024 145.384 116.675 0.000 0.000 -0.000 3/27540 130.0 111.229 128.084 104.749 0.000 0.000 -0.000 3/27540 140.0 99.549 114.445 95.286 0.000 0.000 -0.000 3/27540 150.0 90.125 103.457 87.579 0.000 0.000 -0.000 3/27540 160.0 82.375 94.439 81.165 0.000 0.000 -0.000 3/27540 170.0 75.899 86.916 75.731 0.000 0.000 -0.000 3/27540 180.0 70.410 80.551 71.057 0.000 0.000 -0.000 3/27540 190.0 65.699 75.099 66.986 0.000 0.000 -0.000 3/27540 200.0 61.614 70.377 63.401 0.000 0.000 -0.000 3/27540 210.0 58.035 66.247 60.216 0.000 0.000 -0.000 3/27540 220.0 54.874 62.604 57.363 0.000 0.000 -0.000 3/27540 230.0 52.060 59.364 54.789 0.000 0.000 -0.000 3/27540 240.0 49.539 56.465 52.454 0.000 0.000 -0.000 3/27540 250.0 47.266 53.853 50.323 0.000 0.000 -0.000 3/27540 260.0 45.206 51.487 48.369 0.000 0.000 -0.000 3/27540 270.0 43.328 49.333 46.571 0.000 0.000 -0.000 3/27540 280.0 41.610 47.363 44.908 0.000 0.000 -0.000 3/27540 290.0 40.031 45.553 43.367 0.000 0.000 -0.000 3/27540 300.0 38.575 43.885 41.932 0.000 0.000 -0.000 3/27540 310.0 37.227 42.341 40.594 0.000 0.000 -0.000 3/27540 320.0 35.975 40.909 39.342 0.000 0.000 -0.000 3/27540 330.0 34.809 39.575 38.168 0.000 0.000 -0.000 3/27540 340.0 33.721 38.330 37.065 0.000 0.000 -0.000 3/27540 350.0 32.701 37.164 36.026 0.000 0.000 -0.000 3/27540 360.0 31.745 36.071 35.045 0.000 0.000 -0.000 3/27540 370.0 30.846 35.044 34.119 0.000 0.000 -0.000 3/27540 380.0 29.999 34.075 33.241 0.000 0.000 -0.000 3/27540 390.0 29.199 33.162 32.408 0.000 0.000 -0.000 3/27540 400.0 28.442 32.298 31.618 0.000 0.000 -0.000 3/27540 410.0 27.726 31.480 30.865 0.000 0.000 -0.000 3/27540 420.0 27.046 30.703 30.149 0.000 0.000 -0.000 3/27540 430.0 26.400 29.966 29.466 0.000 0.000 -0.000 3/27540 440.0 25.785 29.264 28.814 0.000 0.000 -0.000 3/27540 450.0 25.200 28.596 28.191 0.000 0.000 -0.000 3/27540 460.0 24.641 27.959 27.594 0.000 0.000 -0.000 3/27540 470.0 24.107 27.350 27.023 0.000 0.000 -0.000 3/27540 480.0 23.597 26.768 26.475 0.000 0.000 -0.000 3/27540 490.0 23.109 26.211 25.950 0.000 0.000 -0.000 3/27540 500.0 22.641 25.678 25.445 0.000 0.000 -0.000 3/27540 510.0 22.193 25.166 24.960 0.000 0.000 -0.000 3/27540 520.0 21.762 24.675 24.493 0.000 0.000 -0.000 3/27540 530.0 21.348 24.204 24.044 0.000 0.000 -0.000 3/27540 540.0 20.950 23.750 23.611 0.000 0.000 -0.000 3/27540 550.0 20.567 23.314 23.194 0.000 0.000 -0.000 3/27540 560.0 20.198 22.893 22.791 0.000 0.000 -0.000 3/27540 570.0 19.843 22.488 22.402 0.000 0.000 -0.000 3/27540 580.0 19.500 22.098 22.027 0.000 0.000 -0.000 3/27540 590.0 19.169 21.721 21.664 0.000 0.000 -0.000 3/27540 600.0 18.849 21.357 21.312 0.000 0.000 -0.000 3/27540 610.0 18.541 21.005 20.973 0.000 0.000 -0.000 3/27540 620.0 18.242 20.665 20.644 0.000 0.000 -0.000 3/27540 630.0 17.953 20.336 20.325 0.000 0.000 -0.000 3/27540 640.0 17.673 20.017 20.016 0.000 0.000 -0.000 3/27540 650.0 17.402 19.709 19.716 0.000 0.000 -0.000 3/27540 660.0 17.139 19.410 19.426 0.000 0.000 -0.000 3/27540 670.0 16.885 19.120 19.143 0.000 0.000 -0.000 3/27540 680.0 16.638 18.838 18.869 0.000 0.000 -0.000 3/27540 690.0 16.398 18.566 18.603 0.000 0.000 -0.000 3/27540 700.0 16.165 18.301 18.345 0.000 0.000 -0.000 3/27540 710.0 15.939 18.043 18.093 0.000 0.000 -0.000 3/27540 720.0 15.719 17.793 17.848 0.000 0.000 -0.000 3/27540 730.0 15.505 17.550 17.610 0.000 0.000 -0.000 3/27540 740.0 15.297 17.313 17.378 0.000 0.000 -0.000 3/27540 750.0 15.095 17.083 17.152 0.000 0.000 -0.000 3/27540 760.0 14.898 16.859 16.933 0.000 0.000 -0.000 3/27540 770.0 14.706 16.641 16.718 0.000 0.000 -0.000 3/27540 780.0 14.519 16.428 16.509 0.000 0.000 -0.000 3/27540 790.0 14.337 16.221 16.306 0.000 0.000 -0.000 3/27540 800.0 14.159 16.019 16.107 0.000 0.000 -0.000 3/27540 810.0 13.986 15.823 15.913 0.000 0.000 -0.000 3/27540 820.0 13.817 15.631 15.724 0.000 0.000 -0.000 3/27540 830.0 13.652 15.443 15.539 0.000 0.000 -0.000 3/27540 840.0 13.491 15.260 15.358 0.000 0.000 -0.000 3/27540 850.0 13.334 15.082 15.182 0.000 0.000 -0.000 3/27540 860.0 13.181 14.908 15.010 0.000 0.000 -0.000 3/27540 870.0 13.031 14.737 14.841 0.000 0.000 -0.000 3/27540 880.0 12.885 14.571 14.677 0.000 0.000 -0.000 3/27540 890.0 12.741 14.408 14.516 0.000 0.000 -0.000 3/27540 900.0 12.601 14.249 14.358 0.000 0.000 -0.000 3/27540 910.0 12.464 14.094 14.204 0.000 0.000 -0.000 3/27540 920.0 12.330 13.941 14.053 0.000 0.000 -0.000 3/27540 930.0 12.199 13.793 13.906 0.000 0.000 -0.000 3/27540 940.0 12.071 13.647 13.761 0.000 0.000 -0.000 3/27540 950.0 11.946 13.504 13.620 0.000 0.000 -0.000 3/27540 960.0 11.823 13.365 13.481 0.000 0.000 -0.000 3/27540 970.0 11.702 13.228 13.345 0.000 0.000 -0.000 3/27540 980.0 11.584 13.094 13.212 0.000 0.000 -0.000 3/27540 990.0 11.469 12.963 13.082 0.000 0.000 -0.000 3/27540 1000.0 11.355 12.834 12.954 0.000 0.000 -0.000 3/27540 Thermal conductivity related properties were written into "kappa-m10917.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:50:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|