----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:09:04]------------------------- 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 5.419836280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.187417880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.007796760000000 Atomic positions (fractional): *1 As 0.32979363517147 0.86503220353996 0.50000000000000 74.922 2 As 0.67020636482853 0.13496779646004 0.50000000000000 74.922 3 As 0.17020636482853 0.36503220353996 0.00000000000000 74.922 4 As 0.82979363517147 0.63496779646004 0.00000000000000 74.922 *5 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 6 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.419836280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.187417880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.007796760000000 Atomic positions (fractional): *1 As 0.32979363517147 0.86503220353996 0.50000000000000 74.922 > 1 2 As 0.67020636482853 0.13496779646004 0.50000000000000 74.922 > 2 3 As 0.17020636482853 0.36503220353996 0.00000000000000 74.922 > 3 4 As 0.82979363517147 0.63496779646004 0.00000000000000 74.922 > 4 *5 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 > 5 6 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.259508840000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.374835760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.031187040000001 Atomic positions (fractional): *1 As 0.10993121172382 0.43251610176998 0.12500000000000 74.922 > 1 2 As 0.44326454505716 0.43251610176998 0.12500000000000 74.922 > 1 3 As 0.77659787839049 0.43251610176998 0.12500000000000 74.922 > 1 4 As 0.10993121172382 0.93251610176998 0.12500000000000 74.922 > 1 5 As 0.44326454505716 0.93251610176998 0.12500000000000 74.922 > 1 6 As 0.77659787839049 0.93251610176998 0.12500000000000 74.922 > 1 7 As 0.10993121172382 0.43251610176998 0.37500000000000 74.922 > 1 8 As 0.44326454505716 0.43251610176998 0.37500000000000 74.922 > 1 9 As 0.77659787839049 0.43251610176998 0.37500000000000 74.922 > 1 10 As 0.10993121172382 0.93251610176998 0.37500000000000 74.922 > 1 11 As 0.44326454505716 0.93251610176998 0.37500000000000 74.922 > 1 12 As 0.77659787839049 0.93251610176998 0.37500000000000 74.922 > 1 13 As 0.10993121172382 0.43251610176998 0.62500000000000 74.922 > 1 14 As 0.44326454505716 0.43251610176998 0.62500000000000 74.922 > 1 15 As 0.77659787839049 0.43251610176998 0.62500000000000 74.922 > 1 16 As 0.10993121172382 0.93251610176998 0.62500000000000 74.922 > 1 17 As 0.44326454505716 0.93251610176998 0.62500000000000 74.922 > 1 18 As 0.77659787839049 0.93251610176998 0.62500000000000 74.922 > 1 19 As 0.10993121172382 0.43251610176998 0.87500000000000 74.922 > 1 20 As 0.44326454505716 0.43251610176998 0.87500000000000 74.922 > 1 21 As 0.77659787839049 0.43251610176998 0.87500000000000 74.922 > 1 22 As 0.10993121172382 0.93251610176998 0.87500000000000 74.922 > 1 23 As 0.44326454505716 0.93251610176998 0.87500000000000 74.922 > 1 24 As 0.77659787839049 0.93251610176998 0.87500000000000 74.922 > 1 25 As 0.22340212160951 0.06748389823002 0.12500000000000 74.922 > 2 26 As 0.55673545494284 0.06748389823002 0.12500000000000 74.922 > 2 27 As 0.89006878827618 0.06748389823002 0.12500000000000 74.922 > 2 28 As 0.22340212160951 0.56748389823002 0.12500000000000 74.922 > 2 29 As 0.55673545494284 0.56748389823002 0.12500000000000 74.922 > 2 30 As 0.89006878827618 0.56748389823002 0.12500000000000 74.922 > 2 31 As 0.22340212160951 0.06748389823002 0.37500000000000 74.922 > 2 32 As 0.55673545494284 0.06748389823002 0.37500000000000 74.922 > 2 33 As 0.89006878827618 0.06748389823002 0.37500000000000 74.922 > 2 34 As 0.22340212160951 0.56748389823002 0.37500000000000 74.922 > 2 35 As 0.55673545494284 0.56748389823002 0.37500000000000 74.922 > 2 36 As 0.89006878827618 0.56748389823002 0.37500000000000 74.922 > 2 37 As 0.22340212160951 0.06748389823002 0.62500000000000 74.922 > 2 38 As 0.55673545494284 0.06748389823002 0.62500000000000 74.922 > 2 39 As 0.89006878827618 0.06748389823002 0.62500000000000 74.922 > 2 40 As 0.22340212160951 0.56748389823002 0.62500000000000 74.922 > 2 41 As 0.55673545494284 0.56748389823002 0.62500000000000 74.922 > 2 42 As 0.89006878827618 0.56748389823002 0.62500000000000 74.922 > 2 43 As 0.22340212160951 0.06748389823002 0.87500000000000 74.922 > 2 44 As 0.55673545494284 0.06748389823002 0.87500000000000 74.922 > 2 45 As 0.89006878827618 0.06748389823002 0.87500000000000 74.922 > 2 46 As 0.22340212160951 0.56748389823002 0.87500000000000 74.922 > 2 47 As 0.55673545494284 0.56748389823002 0.87500000000000 74.922 > 2 48 As 0.89006878827618 0.56748389823002 0.87500000000000 74.922 > 2 49 As 0.05673545494284 0.18251610176998 0.00000000000000 74.922 > 3 50 As 0.39006878827618 0.18251610176998 0.00000000000000 74.922 > 3 51 As 0.72340212160951 0.18251610176998 0.00000000000000 74.922 > 3 52 As 0.05673545494284 0.68251610176998 0.00000000000000 74.922 > 3 53 As 0.39006878827618 0.68251610176998 0.00000000000000 74.922 > 3 54 As 0.72340212160951 0.68251610176998 0.00000000000000 74.922 > 3 55 As 0.05673545494284 0.18251610176998 0.25000000000000 74.922 > 3 56 As 0.39006878827618 0.18251610176998 0.25000000000000 74.922 > 3 57 As 0.72340212160951 0.18251610176998 0.25000000000000 74.922 > 3 58 As 0.05673545494284 0.68251610176998 0.25000000000000 74.922 > 3 59 As 0.39006878827618 0.68251610176998 0.25000000000000 74.922 > 3 60 As 0.72340212160951 0.68251610176998 0.25000000000000 74.922 > 3 61 As 0.05673545494284 0.18251610176998 0.50000000000000 74.922 > 3 62 As 0.39006878827618 0.18251610176998 0.50000000000000 74.922 > 3 63 As 0.72340212160951 0.18251610176998 0.50000000000000 74.922 > 3 64 As 0.05673545494284 0.68251610176998 0.50000000000000 74.922 > 3 65 As 0.39006878827618 0.68251610176998 0.50000000000000 74.922 > 3 66 As 0.72340212160951 0.68251610176998 0.50000000000000 74.922 > 3 67 As 0.05673545494284 0.18251610176998 0.75000000000000 74.922 > 3 68 As 0.39006878827618 0.18251610176998 0.75000000000000 74.922 > 3 69 As 0.72340212160951 0.18251610176998 0.75000000000000 74.922 > 3 70 As 0.05673545494284 0.68251610176998 0.75000000000000 74.922 > 3 71 As 0.39006878827618 0.68251610176998 0.75000000000000 74.922 > 3 72 As 0.72340212160951 0.68251610176998 0.75000000000000 74.922 > 3 73 As 0.27659787839049 0.31748389823002 0.00000000000000 74.922 > 4 74 As 0.60993121172382 0.31748389823002 0.00000000000000 74.922 > 4 75 As 0.94326454505716 0.31748389823002 0.00000000000000 74.922 > 4 76 As 0.27659787839049 0.81748389823002 0.00000000000000 74.922 > 4 77 As 0.60993121172382 0.81748389823002 0.00000000000000 74.922 > 4 78 As 0.94326454505716 0.81748389823002 0.00000000000000 74.922 > 4 79 As 0.27659787839049 0.31748389823002 0.25000000000000 74.922 > 4 80 As 0.60993121172382 0.31748389823002 0.25000000000000 74.922 > 4 81 As 0.94326454505716 0.31748389823002 0.25000000000000 74.922 > 4 82 As 0.27659787839049 0.81748389823002 0.25000000000000 74.922 > 4 83 As 0.60993121172382 0.81748389823002 0.25000000000000 74.922 > 4 84 As 0.94326454505716 0.81748389823002 0.25000000000000 74.922 > 4 85 As 0.27659787839049 0.31748389823002 0.50000000000000 74.922 > 4 86 As 0.60993121172382 0.31748389823002 0.50000000000000 74.922 > 4 87 As 0.94326454505716 0.31748389823002 0.50000000000000 74.922 > 4 88 As 0.27659787839049 0.81748389823002 0.50000000000000 74.922 > 4 89 As 0.60993121172382 0.81748389823002 0.50000000000000 74.922 > 4 90 As 0.94326454505716 0.81748389823002 0.50000000000000 74.922 > 4 91 As 0.27659787839049 0.31748389823002 0.75000000000000 74.922 > 4 92 As 0.60993121172382 0.31748389823002 0.75000000000000 74.922 > 4 93 As 0.94326454505716 0.31748389823002 0.75000000000000 74.922 > 4 94 As 0.27659787839049 0.81748389823002 0.75000000000000 74.922 > 4 95 As 0.60993121172382 0.81748389823002 0.75000000000000 74.922 > 4 96 As 0.94326454505716 0.81748389823002 0.75000000000000 74.922 > 4 *97 Os 0.16666666666667 0.25000000000000 0.12500000000000 190.230 > 5 98 Os 0.50000000000000 0.25000000000000 0.12500000000000 190.230 > 5 99 Os 0.83333333333333 0.25000000000000 0.12500000000000 190.230 > 5 100 Os 0.16666666666667 0.75000000000000 0.12500000000000 190.230 > 5 101 Os 0.50000000000000 0.75000000000000 0.12500000000000 190.230 > 5 102 Os 0.83333333333333 0.75000000000000 0.12500000000000 190.230 > 5 103 Os 0.16666666666667 0.25000000000000 0.37500000000000 190.230 > 5 104 Os 0.50000000000000 0.25000000000000 0.37500000000000 190.230 > 5 105 Os 0.83333333333333 0.25000000000000 0.37500000000000 190.230 > 5 106 Os 0.16666666666667 0.75000000000000 0.37500000000000 190.230 > 5 107 Os 0.50000000000000 0.75000000000000 0.37500000000000 190.230 > 5 108 Os 0.83333333333333 0.75000000000000 0.37500000000000 190.230 > 5 109 Os 0.16666666666667 0.25000000000000 0.62500000000000 190.230 > 5 110 Os 0.50000000000000 0.25000000000000 0.62500000000000 190.230 > 5 111 Os 0.83333333333333 0.25000000000000 0.62500000000000 190.230 > 5 112 Os 0.16666666666667 0.75000000000000 0.62500000000000 190.230 > 5 113 Os 0.50000000000000 0.75000000000000 0.62500000000000 190.230 > 5 114 Os 0.83333333333333 0.75000000000000 0.62500000000000 190.230 > 5 115 Os 0.16666666666667 0.25000000000000 0.87500000000000 190.230 > 5 116 Os 0.50000000000000 0.25000000000000 0.87500000000000 190.230 > 5 117 Os 0.83333333333333 0.25000000000000 0.87500000000000 190.230 > 5 118 Os 0.16666666666667 0.75000000000000 0.87500000000000 190.230 > 5 119 Os 0.50000000000000 0.75000000000000 0.87500000000000 190.230 > 5 120 Os 0.83333333333333 0.75000000000000 0.87500000000000 190.230 > 5 121 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 6 122 Os 0.33333333333333 0.00000000000000 0.00000000000000 190.230 > 6 123 Os 0.66666666666667 0.00000000000000 0.00000000000000 190.230 > 6 124 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 6 125 Os 0.33333333333333 0.50000000000000 0.00000000000000 190.230 > 6 126 Os 0.66666666666667 0.50000000000000 0.00000000000000 190.230 > 6 127 Os 0.00000000000000 0.00000000000000 0.25000000000000 190.230 > 6 128 Os 0.33333333333333 0.00000000000000 0.25000000000000 190.230 > 6 129 Os 0.66666666666667 0.00000000000000 0.25000000000000 190.230 > 6 130 Os 0.00000000000000 0.50000000000000 0.25000000000000 190.230 > 6 131 Os 0.33333333333333 0.50000000000000 0.25000000000000 190.230 > 6 132 Os 0.66666666666667 0.50000000000000 0.25000000000000 190.230 > 6 133 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 6 134 Os 0.33333333333333 0.00000000000000 0.50000000000000 190.230 > 6 135 Os 0.66666666666667 0.00000000000000 0.50000000000000 190.230 > 6 136 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 > 6 137 Os 0.33333333333333 0.50000000000000 0.50000000000000 190.230 > 6 138 Os 0.66666666666667 0.50000000000000 0.50000000000000 190.230 > 6 139 Os 0.00000000000000 0.00000000000000 0.75000000000000 190.230 > 6 140 Os 0.33333333333333 0.00000000000000 0.75000000000000 190.230 > 6 141 Os 0.66666666666667 0.00000000000000 0.75000000000000 190.230 > 6 142 Os 0.00000000000000 0.50000000000000 0.75000000000000 190.230 > 6 143 Os 0.33333333333333 0.50000000000000 0.75000000000000 190.230 > 6 144 Os 0.66666666666667 0.50000000000000 0.75000000000000 190.230 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.8157351 0.0000000 0.0000000 0.0000000 25.2544190 0.0000000 0.0000000 0.0000000 16.5734742 -------------------------- Born effective charges -------------------------- 1 As 3.4259387 -0.3164359 0.0000000 -0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 2 As 3.4259387 -0.3164359 0.0000000 -0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 3 As 3.4259387 0.3164359 0.0000000 0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 4 As 3.4259387 0.3164359 0.0000000 0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 5 Os -6.8518773 -0.3342993 0.0000000 -1.1353392 -6.3573577 0.0000000 0.0000000 0.0000000 -7.0236081 6 Os -6.8518773 0.3342993 0.0000000 1.1353392 -6.3573577 0.0000000 0.0000000 0.0000000 -7.0236081 ---------------------------------------------------------------------------- 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): 0.009 Solver_block: 100 / 160 - Time: 0.628 Solver_block: 160 / 160 - Time: 0.415 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.060 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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 19:09:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:09:14]------------------------- 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 5.419836280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.187417880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.007796760000000 Atomic positions (fractional): 1 As 0.32979363517147 0.86503220353996 0.50000000000000 74.922 2 As 0.67020636482853 0.13496779646004 0.50000000000000 74.922 3 As 0.17020636482853 0.36503220353996 0.00000000000000 74.922 4 As 0.82979363517147 0.63496779646004 0.00000000000000 74.922 5 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 6 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.259508840000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.374835760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.031187040000001 Atomic positions (fractional): 1 As 0.10993121172382 0.43251610176998 0.12500000000000 74.922 > 1 2 As 0.44326454505716 0.43251610176998 0.12500000000000 74.922 > 1 3 As 0.77659787839049 0.43251610176998 0.12500000000000 74.922 > 1 4 As 0.10993121172382 0.93251610176998 0.12500000000000 74.922 > 1 5 As 0.44326454505716 0.93251610176998 0.12500000000000 74.922 > 1 6 As 0.77659787839049 0.93251610176998 0.12500000000000 74.922 > 1 7 As 0.10993121172382 0.43251610176998 0.37500000000000 74.922 > 1 8 As 0.44326454505716 0.43251610176998 0.37500000000000 74.922 > 1 9 As 0.77659787839049 0.43251610176998 0.37500000000000 74.922 > 1 10 As 0.10993121172382 0.93251610176998 0.37500000000000 74.922 > 1 11 As 0.44326454505716 0.93251610176998 0.37500000000000 74.922 > 1 12 As 0.77659787839049 0.93251610176998 0.37500000000000 74.922 > 1 13 As 0.10993121172382 0.43251610176998 0.62500000000000 74.922 > 1 14 As 0.44326454505716 0.43251610176998 0.62500000000000 74.922 > 1 15 As 0.77659787839049 0.43251610176998 0.62500000000000 74.922 > 1 16 As 0.10993121172382 0.93251610176998 0.62500000000000 74.922 > 1 17 As 0.44326454505716 0.93251610176998 0.62500000000000 74.922 > 1 18 As 0.77659787839049 0.93251610176998 0.62500000000000 74.922 > 1 19 As 0.10993121172382 0.43251610176998 0.87500000000000 74.922 > 1 20 As 0.44326454505716 0.43251610176998 0.87500000000000 74.922 > 1 21 As 0.77659787839049 0.43251610176998 0.87500000000000 74.922 > 1 22 As 0.10993121172382 0.93251610176998 0.87500000000000 74.922 > 1 23 As 0.44326454505716 0.93251610176998 0.87500000000000 74.922 > 1 24 As 0.77659787839049 0.93251610176998 0.87500000000000 74.922 > 1 25 As 0.22340212160951 0.06748389823002 0.12500000000000 74.922 > 25 26 As 0.55673545494284 0.06748389823002 0.12500000000000 74.922 > 25 27 As 0.89006878827618 0.06748389823002 0.12500000000000 74.922 > 25 28 As 0.22340212160951 0.56748389823002 0.12500000000000 74.922 > 25 29 As 0.55673545494284 0.56748389823002 0.12500000000000 74.922 > 25 30 As 0.89006878827618 0.56748389823002 0.12500000000000 74.922 > 25 31 As 0.22340212160951 0.06748389823002 0.37500000000000 74.922 > 25 32 As 0.55673545494284 0.06748389823002 0.37500000000000 74.922 > 25 33 As 0.89006878827618 0.06748389823002 0.37500000000000 74.922 > 25 34 As 0.22340212160951 0.56748389823002 0.37500000000000 74.922 > 25 35 As 0.55673545494284 0.56748389823002 0.37500000000000 74.922 > 25 36 As 0.89006878827618 0.56748389823002 0.37500000000000 74.922 > 25 37 As 0.22340212160951 0.06748389823002 0.62500000000000 74.922 > 25 38 As 0.55673545494284 0.06748389823002 0.62500000000000 74.922 > 25 39 As 0.89006878827618 0.06748389823002 0.62500000000000 74.922 > 25 40 As 0.22340212160951 0.56748389823002 0.62500000000000 74.922 > 25 41 As 0.55673545494284 0.56748389823002 0.62500000000000 74.922 > 25 42 As 0.89006878827618 0.56748389823002 0.62500000000000 74.922 > 25 43 As 0.22340212160951 0.06748389823002 0.87500000000000 74.922 > 25 44 As 0.55673545494284 0.06748389823002 0.87500000000000 74.922 > 25 45 As 0.89006878827618 0.06748389823002 0.87500000000000 74.922 > 25 46 As 0.22340212160951 0.56748389823002 0.87500000000000 74.922 > 25 47 As 0.55673545494284 0.56748389823002 0.87500000000000 74.922 > 25 48 As 0.89006878827618 0.56748389823002 0.87500000000000 74.922 > 25 49 As 0.05673545494284 0.18251610176998 0.00000000000000 74.922 > 49 50 As 0.39006878827618 0.18251610176998 0.00000000000000 74.922 > 49 51 As 0.72340212160951 0.18251610176998 0.00000000000000 74.922 > 49 52 As 0.05673545494284 0.68251610176998 0.00000000000000 74.922 > 49 53 As 0.39006878827618 0.68251610176998 0.00000000000000 74.922 > 49 54 As 0.72340212160951 0.68251610176998 0.00000000000000 74.922 > 49 55 As 0.05673545494284 0.18251610176998 0.25000000000000 74.922 > 49 56 As 0.39006878827618 0.18251610176998 0.25000000000000 74.922 > 49 57 As 0.72340212160951 0.18251610176998 0.25000000000000 74.922 > 49 58 As 0.05673545494284 0.68251610176998 0.25000000000000 74.922 > 49 59 As 0.39006878827618 0.68251610176998 0.25000000000000 74.922 > 49 60 As 0.72340212160951 0.68251610176998 0.25000000000000 74.922 > 49 61 As 0.05673545494284 0.18251610176998 0.50000000000000 74.922 > 49 62 As 0.39006878827618 0.18251610176998 0.50000000000000 74.922 > 49 63 As 0.72340212160951 0.18251610176998 0.50000000000000 74.922 > 49 64 As 0.05673545494284 0.68251610176998 0.50000000000000 74.922 > 49 65 As 0.39006878827618 0.68251610176998 0.50000000000000 74.922 > 49 66 As 0.72340212160951 0.68251610176998 0.50000000000000 74.922 > 49 67 As 0.05673545494284 0.18251610176998 0.75000000000000 74.922 > 49 68 As 0.39006878827618 0.18251610176998 0.75000000000000 74.922 > 49 69 As 0.72340212160951 0.18251610176998 0.75000000000000 74.922 > 49 70 As 0.05673545494284 0.68251610176998 0.75000000000000 74.922 > 49 71 As 0.39006878827618 0.68251610176998 0.75000000000000 74.922 > 49 72 As 0.72340212160951 0.68251610176998 0.75000000000000 74.922 > 49 73 As 0.27659787839049 0.31748389823002 0.00000000000000 74.922 > 73 74 As 0.60993121172382 0.31748389823002 0.00000000000000 74.922 > 73 75 As 0.94326454505716 0.31748389823002 0.00000000000000 74.922 > 73 76 As 0.27659787839049 0.81748389823002 0.00000000000000 74.922 > 73 77 As 0.60993121172382 0.81748389823002 0.00000000000000 74.922 > 73 78 As 0.94326454505716 0.81748389823002 0.00000000000000 74.922 > 73 79 As 0.27659787839049 0.31748389823002 0.25000000000000 74.922 > 73 80 As 0.60993121172382 0.31748389823002 0.25000000000000 74.922 > 73 81 As 0.94326454505716 0.31748389823002 0.25000000000000 74.922 > 73 82 As 0.27659787839049 0.81748389823002 0.25000000000000 74.922 > 73 83 As 0.60993121172382 0.81748389823002 0.25000000000000 74.922 > 73 84 As 0.94326454505716 0.81748389823002 0.25000000000000 74.922 > 73 85 As 0.27659787839049 0.31748389823002 0.50000000000000 74.922 > 73 86 As 0.60993121172382 0.31748389823002 0.50000000000000 74.922 > 73 87 As 0.94326454505716 0.31748389823002 0.50000000000000 74.922 > 73 88 As 0.27659787839049 0.81748389823002 0.50000000000000 74.922 > 73 89 As 0.60993121172382 0.81748389823002 0.50000000000000 74.922 > 73 90 As 0.94326454505716 0.81748389823002 0.50000000000000 74.922 > 73 91 As 0.27659787839049 0.31748389823002 0.75000000000000 74.922 > 73 92 As 0.60993121172382 0.31748389823002 0.75000000000000 74.922 > 73 93 As 0.94326454505716 0.31748389823002 0.75000000000000 74.922 > 73 94 As 0.27659787839049 0.81748389823002 0.75000000000000 74.922 > 73 95 As 0.60993121172382 0.81748389823002 0.75000000000000 74.922 > 73 96 As 0.94326454505716 0.81748389823002 0.75000000000000 74.922 > 73 97 Os 0.16666666666667 0.25000000000000 0.12500000000000 190.230 > 97 98 Os 0.50000000000000 0.25000000000000 0.12500000000000 190.230 > 97 99 Os 0.83333333333333 0.25000000000000 0.12500000000000 190.230 > 97 100 Os 0.16666666666667 0.75000000000000 0.12500000000000 190.230 > 97 101 Os 0.50000000000000 0.75000000000000 0.12500000000000 190.230 > 97 102 Os 0.83333333333333 0.75000000000000 0.12500000000000 190.230 > 97 103 Os 0.16666666666667 0.25000000000000 0.37500000000000 190.230 > 97 104 Os 0.50000000000000 0.25000000000000 0.37500000000000 190.230 > 97 105 Os 0.83333333333333 0.25000000000000 0.37500000000000 190.230 > 97 106 Os 0.16666666666667 0.75000000000000 0.37500000000000 190.230 > 97 107 Os 0.50000000000000 0.75000000000000 0.37500000000000 190.230 > 97 108 Os 0.83333333333333 0.75000000000000 0.37500000000000 190.230 > 97 109 Os 0.16666666666667 0.25000000000000 0.62500000000000 190.230 > 97 110 Os 0.50000000000000 0.25000000000000 0.62500000000000 190.230 > 97 111 Os 0.83333333333333 0.25000000000000 0.62500000000000 190.230 > 97 112 Os 0.16666666666667 0.75000000000000 0.62500000000000 190.230 > 97 113 Os 0.50000000000000 0.75000000000000 0.62500000000000 190.230 > 97 114 Os 0.83333333333333 0.75000000000000 0.62500000000000 190.230 > 97 115 Os 0.16666666666667 0.25000000000000 0.87500000000000 190.230 > 97 116 Os 0.50000000000000 0.25000000000000 0.87500000000000 190.230 > 97 117 Os 0.83333333333333 0.25000000000000 0.87500000000000 190.230 > 97 118 Os 0.16666666666667 0.75000000000000 0.87500000000000 190.230 > 97 119 Os 0.50000000000000 0.75000000000000 0.87500000000000 190.230 > 97 120 Os 0.83333333333333 0.75000000000000 0.87500000000000 190.230 > 97 121 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 121 122 Os 0.33333333333333 0.00000000000000 0.00000000000000 190.230 > 121 123 Os 0.66666666666667 0.00000000000000 0.00000000000000 190.230 > 121 124 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 121 125 Os 0.33333333333333 0.50000000000000 0.00000000000000 190.230 > 121 126 Os 0.66666666666667 0.50000000000000 0.00000000000000 190.230 > 121 127 Os 0.00000000000000 0.00000000000000 0.25000000000000 190.230 > 121 128 Os 0.33333333333333 0.00000000000000 0.25000000000000 190.230 > 121 129 Os 0.66666666666667 0.00000000000000 0.25000000000000 190.230 > 121 130 Os 0.00000000000000 0.50000000000000 0.25000000000000 190.230 > 121 131 Os 0.33333333333333 0.50000000000000 0.25000000000000 190.230 > 121 132 Os 0.66666666666667 0.50000000000000 0.25000000000000 190.230 > 121 133 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 121 134 Os 0.33333333333333 0.00000000000000 0.50000000000000 190.230 > 121 135 Os 0.66666666666667 0.00000000000000 0.50000000000000 190.230 > 121 136 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 > 121 137 Os 0.33333333333333 0.50000000000000 0.50000000000000 190.230 > 121 138 Os 0.66666666666667 0.50000000000000 0.50000000000000 190.230 > 121 139 Os 0.00000000000000 0.00000000000000 0.75000000000000 190.230 > 121 140 Os 0.33333333333333 0.00000000000000 0.75000000000000 190.230 > 121 141 Os 0.66666666666667 0.00000000000000 0.75000000000000 190.230 > 121 142 Os 0.00000000000000 0.50000000000000 0.75000000000000 190.230 > 121 143 Os 0.33333333333333 0.50000000000000 0.75000000000000 190.230 > 121 144 Os 0.66666666666667 0.50000000000000 0.75000000000000 190.230 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.8157351 0.0000000 0.0000000 0.0000000 25.2544190 0.0000000 0.0000000 0.0000000 16.5734742 -------------------------- Born effective charges -------------------------- 1 As 3.4259387 -0.3164359 0.0000000 -0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 2 As 3.4259387 -0.3164359 0.0000000 -0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 3 As 3.4259387 0.3164359 0.0000000 0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 4 As 3.4259387 0.3164359 0.0000000 0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 5 Os -6.8518773 -0.3342993 0.0000000 -1.1353392 -6.3573577 0.0000000 0.0000000 0.0000000 -7.0236081 6 Os -6.8518773 0.3342993 0.0000000 1.1353392 -6.3573577 0.0000000 0.0000000 0.0000000 -7.0236081 ---------------------------------------------------------------------------- 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 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:09:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:09:23]------------------------- 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 5.419836280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.187417880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.007796760000000 Atomic positions (fractional): 1 As 0.32979363517147 0.86503220353996 0.50000000000000 74.922 2 As 0.67020636482853 0.13496779646004 0.50000000000000 74.922 3 As 0.17020636482853 0.36503220353996 0.00000000000000 74.922 4 As 0.82979363517147 0.63496779646004 0.00000000000000 74.922 5 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 6 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.259508840000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.374835760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.031187040000001 Atomic positions (fractional): 1 As 0.10993121172382 0.43251610176998 0.12500000000000 74.922 > 1 2 As 0.44326454505716 0.43251610176998 0.12500000000000 74.922 > 1 3 As 0.77659787839049 0.43251610176998 0.12500000000000 74.922 > 1 4 As 0.10993121172382 0.93251610176998 0.12500000000000 74.922 > 1 5 As 0.44326454505716 0.93251610176998 0.12500000000000 74.922 > 1 6 As 0.77659787839049 0.93251610176998 0.12500000000000 74.922 > 1 7 As 0.10993121172382 0.43251610176998 0.37500000000000 74.922 > 1 8 As 0.44326454505716 0.43251610176998 0.37500000000000 74.922 > 1 9 As 0.77659787839049 0.43251610176998 0.37500000000000 74.922 > 1 10 As 0.10993121172382 0.93251610176998 0.37500000000000 74.922 > 1 11 As 0.44326454505716 0.93251610176998 0.37500000000000 74.922 > 1 12 As 0.77659787839049 0.93251610176998 0.37500000000000 74.922 > 1 13 As 0.10993121172382 0.43251610176998 0.62500000000000 74.922 > 1 14 As 0.44326454505716 0.43251610176998 0.62500000000000 74.922 > 1 15 As 0.77659787839049 0.43251610176998 0.62500000000000 74.922 > 1 16 As 0.10993121172382 0.93251610176998 0.62500000000000 74.922 > 1 17 As 0.44326454505716 0.93251610176998 0.62500000000000 74.922 > 1 18 As 0.77659787839049 0.93251610176998 0.62500000000000 74.922 > 1 19 As 0.10993121172382 0.43251610176998 0.87500000000000 74.922 > 1 20 As 0.44326454505716 0.43251610176998 0.87500000000000 74.922 > 1 21 As 0.77659787839049 0.43251610176998 0.87500000000000 74.922 > 1 22 As 0.10993121172382 0.93251610176998 0.87500000000000 74.922 > 1 23 As 0.44326454505716 0.93251610176998 0.87500000000000 74.922 > 1 24 As 0.77659787839049 0.93251610176998 0.87500000000000 74.922 > 1 25 As 0.22340212160951 0.06748389823002 0.12500000000000 74.922 > 25 26 As 0.55673545494284 0.06748389823002 0.12500000000000 74.922 > 25 27 As 0.89006878827618 0.06748389823002 0.12500000000000 74.922 > 25 28 As 0.22340212160951 0.56748389823002 0.12500000000000 74.922 > 25 29 As 0.55673545494284 0.56748389823002 0.12500000000000 74.922 > 25 30 As 0.89006878827618 0.56748389823002 0.12500000000000 74.922 > 25 31 As 0.22340212160951 0.06748389823002 0.37500000000000 74.922 > 25 32 As 0.55673545494284 0.06748389823002 0.37500000000000 74.922 > 25 33 As 0.89006878827618 0.06748389823002 0.37500000000000 74.922 > 25 34 As 0.22340212160951 0.56748389823002 0.37500000000000 74.922 > 25 35 As 0.55673545494284 0.56748389823002 0.37500000000000 74.922 > 25 36 As 0.89006878827618 0.56748389823002 0.37500000000000 74.922 > 25 37 As 0.22340212160951 0.06748389823002 0.62500000000000 74.922 > 25 38 As 0.55673545494284 0.06748389823002 0.62500000000000 74.922 > 25 39 As 0.89006878827618 0.06748389823002 0.62500000000000 74.922 > 25 40 As 0.22340212160951 0.56748389823002 0.62500000000000 74.922 > 25 41 As 0.55673545494284 0.56748389823002 0.62500000000000 74.922 > 25 42 As 0.89006878827618 0.56748389823002 0.62500000000000 74.922 > 25 43 As 0.22340212160951 0.06748389823002 0.87500000000000 74.922 > 25 44 As 0.55673545494284 0.06748389823002 0.87500000000000 74.922 > 25 45 As 0.89006878827618 0.06748389823002 0.87500000000000 74.922 > 25 46 As 0.22340212160951 0.56748389823002 0.87500000000000 74.922 > 25 47 As 0.55673545494284 0.56748389823002 0.87500000000000 74.922 > 25 48 As 0.89006878827618 0.56748389823002 0.87500000000000 74.922 > 25 49 As 0.05673545494284 0.18251610176998 0.00000000000000 74.922 > 49 50 As 0.39006878827618 0.18251610176998 0.00000000000000 74.922 > 49 51 As 0.72340212160951 0.18251610176998 0.00000000000000 74.922 > 49 52 As 0.05673545494284 0.68251610176998 0.00000000000000 74.922 > 49 53 As 0.39006878827618 0.68251610176998 0.00000000000000 74.922 > 49 54 As 0.72340212160951 0.68251610176998 0.00000000000000 74.922 > 49 55 As 0.05673545494284 0.18251610176998 0.25000000000000 74.922 > 49 56 As 0.39006878827618 0.18251610176998 0.25000000000000 74.922 > 49 57 As 0.72340212160951 0.18251610176998 0.25000000000000 74.922 > 49 58 As 0.05673545494284 0.68251610176998 0.25000000000000 74.922 > 49 59 As 0.39006878827618 0.68251610176998 0.25000000000000 74.922 > 49 60 As 0.72340212160951 0.68251610176998 0.25000000000000 74.922 > 49 61 As 0.05673545494284 0.18251610176998 0.50000000000000 74.922 > 49 62 As 0.39006878827618 0.18251610176998 0.50000000000000 74.922 > 49 63 As 0.72340212160951 0.18251610176998 0.50000000000000 74.922 > 49 64 As 0.05673545494284 0.68251610176998 0.50000000000000 74.922 > 49 65 As 0.39006878827618 0.68251610176998 0.50000000000000 74.922 > 49 66 As 0.72340212160951 0.68251610176998 0.50000000000000 74.922 > 49 67 As 0.05673545494284 0.18251610176998 0.75000000000000 74.922 > 49 68 As 0.39006878827618 0.18251610176998 0.75000000000000 74.922 > 49 69 As 0.72340212160951 0.18251610176998 0.75000000000000 74.922 > 49 70 As 0.05673545494284 0.68251610176998 0.75000000000000 74.922 > 49 71 As 0.39006878827618 0.68251610176998 0.75000000000000 74.922 > 49 72 As 0.72340212160951 0.68251610176998 0.75000000000000 74.922 > 49 73 As 0.27659787839049 0.31748389823002 0.00000000000000 74.922 > 73 74 As 0.60993121172382 0.31748389823002 0.00000000000000 74.922 > 73 75 As 0.94326454505716 0.31748389823002 0.00000000000000 74.922 > 73 76 As 0.27659787839049 0.81748389823002 0.00000000000000 74.922 > 73 77 As 0.60993121172382 0.81748389823002 0.00000000000000 74.922 > 73 78 As 0.94326454505716 0.81748389823002 0.00000000000000 74.922 > 73 79 As 0.27659787839049 0.31748389823002 0.25000000000000 74.922 > 73 80 As 0.60993121172382 0.31748389823002 0.25000000000000 74.922 > 73 81 As 0.94326454505716 0.31748389823002 0.25000000000000 74.922 > 73 82 As 0.27659787839049 0.81748389823002 0.25000000000000 74.922 > 73 83 As 0.60993121172382 0.81748389823002 0.25000000000000 74.922 > 73 84 As 0.94326454505716 0.81748389823002 0.25000000000000 74.922 > 73 85 As 0.27659787839049 0.31748389823002 0.50000000000000 74.922 > 73 86 As 0.60993121172382 0.31748389823002 0.50000000000000 74.922 > 73 87 As 0.94326454505716 0.31748389823002 0.50000000000000 74.922 > 73 88 As 0.27659787839049 0.81748389823002 0.50000000000000 74.922 > 73 89 As 0.60993121172382 0.81748389823002 0.50000000000000 74.922 > 73 90 As 0.94326454505716 0.81748389823002 0.50000000000000 74.922 > 73 91 As 0.27659787839049 0.31748389823002 0.75000000000000 74.922 > 73 92 As 0.60993121172382 0.31748389823002 0.75000000000000 74.922 > 73 93 As 0.94326454505716 0.31748389823002 0.75000000000000 74.922 > 73 94 As 0.27659787839049 0.81748389823002 0.75000000000000 74.922 > 73 95 As 0.60993121172382 0.81748389823002 0.75000000000000 74.922 > 73 96 As 0.94326454505716 0.81748389823002 0.75000000000000 74.922 > 73 97 Os 0.16666666666667 0.25000000000000 0.12500000000000 190.230 > 97 98 Os 0.50000000000000 0.25000000000000 0.12500000000000 190.230 > 97 99 Os 0.83333333333333 0.25000000000000 0.12500000000000 190.230 > 97 100 Os 0.16666666666667 0.75000000000000 0.12500000000000 190.230 > 97 101 Os 0.50000000000000 0.75000000000000 0.12500000000000 190.230 > 97 102 Os 0.83333333333333 0.75000000000000 0.12500000000000 190.230 > 97 103 Os 0.16666666666667 0.25000000000000 0.37500000000000 190.230 > 97 104 Os 0.50000000000000 0.25000000000000 0.37500000000000 190.230 > 97 105 Os 0.83333333333333 0.25000000000000 0.37500000000000 190.230 > 97 106 Os 0.16666666666667 0.75000000000000 0.37500000000000 190.230 > 97 107 Os 0.50000000000000 0.75000000000000 0.37500000000000 190.230 > 97 108 Os 0.83333333333333 0.75000000000000 0.37500000000000 190.230 > 97 109 Os 0.16666666666667 0.25000000000000 0.62500000000000 190.230 > 97 110 Os 0.50000000000000 0.25000000000000 0.62500000000000 190.230 > 97 111 Os 0.83333333333333 0.25000000000000 0.62500000000000 190.230 > 97 112 Os 0.16666666666667 0.75000000000000 0.62500000000000 190.230 > 97 113 Os 0.50000000000000 0.75000000000000 0.62500000000000 190.230 > 97 114 Os 0.83333333333333 0.75000000000000 0.62500000000000 190.230 > 97 115 Os 0.16666666666667 0.25000000000000 0.87500000000000 190.230 > 97 116 Os 0.50000000000000 0.25000000000000 0.87500000000000 190.230 > 97 117 Os 0.83333333333333 0.25000000000000 0.87500000000000 190.230 > 97 118 Os 0.16666666666667 0.75000000000000 0.87500000000000 190.230 > 97 119 Os 0.50000000000000 0.75000000000000 0.87500000000000 190.230 > 97 120 Os 0.83333333333333 0.75000000000000 0.87500000000000 190.230 > 97 121 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 121 122 Os 0.33333333333333 0.00000000000000 0.00000000000000 190.230 > 121 123 Os 0.66666666666667 0.00000000000000 0.00000000000000 190.230 > 121 124 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 121 125 Os 0.33333333333333 0.50000000000000 0.00000000000000 190.230 > 121 126 Os 0.66666666666667 0.50000000000000 0.00000000000000 190.230 > 121 127 Os 0.00000000000000 0.00000000000000 0.25000000000000 190.230 > 121 128 Os 0.33333333333333 0.00000000000000 0.25000000000000 190.230 > 121 129 Os 0.66666666666667 0.00000000000000 0.25000000000000 190.230 > 121 130 Os 0.00000000000000 0.50000000000000 0.25000000000000 190.230 > 121 131 Os 0.33333333333333 0.50000000000000 0.25000000000000 190.230 > 121 132 Os 0.66666666666667 0.50000000000000 0.25000000000000 190.230 > 121 133 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 121 134 Os 0.33333333333333 0.00000000000000 0.50000000000000 190.230 > 121 135 Os 0.66666666666667 0.00000000000000 0.50000000000000 190.230 > 121 136 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 > 121 137 Os 0.33333333333333 0.50000000000000 0.50000000000000 190.230 > 121 138 Os 0.66666666666667 0.50000000000000 0.50000000000000 190.230 > 121 139 Os 0.00000000000000 0.00000000000000 0.75000000000000 190.230 > 121 140 Os 0.33333333333333 0.00000000000000 0.75000000000000 190.230 > 121 141 Os 0.66666666666667 0.00000000000000 0.75000000000000 190.230 > 121 142 Os 0.00000000000000 0.50000000000000 0.75000000000000 190.230 > 121 143 Os 0.33333333333333 0.50000000000000 0.75000000000000 190.230 > 121 144 Os 0.66666666666667 0.50000000000000 0.75000000000000 190.230 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 19.8157351 0.0000000 0.0000000 0.0000000 25.2544190 0.0000000 0.0000000 0.0000000 16.5734742 -------------------------- Born effective charges -------------------------- 1 As 3.4259387 -0.3164359 0.0000000 -0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 2 As 3.4259387 -0.3164359 0.0000000 -0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 3 As 3.4259387 0.3164359 0.0000000 0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 4 As 3.4259387 0.3164359 0.0000000 0.1308126 3.1786788 0.0000000 0.0000000 0.0000000 3.5118040 5 Os -6.8518773 -0.3342993 0.0000000 -1.1353392 -6.3573577 0.0000000 0.0000000 0.0000000 -7.0236081 6 Os -6.8518773 0.3342993 0.0000000 1.1353392 -6.3573577 0.0000000 0.0000000 0.0000000 -7.0236081 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) 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 ... [ 9 8 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: 0.89, Number of G-points: 303, Lambda: 0.42 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 36.610 0.000 0.000) 36.610 0.777 ( 37.410 0.000 0.000) 37.410 1.130 ( 54.004 0.000 0.000) 54.004 3.857 ( -3.215 0.000 0.000) 3.215 4.289 ( 2.362 0.000 0.000) 2.362 4.586 ( -9.205 0.000 0.000) 9.205 4.608 ( -0.007 0.000 0.000) 0.007 4.736 ( -3.878 0.000 0.000) 3.878 4.956 ( 4.184 0.000 0.000) 4.184 5.412 ( -0.690 0.000 0.000) 0.690 5.544 ( -1.422 0.000 0.000) 1.422 6.043 ( -8.452 0.000 0.000) 8.452 7.724 ( 6.674 0.000 0.000) 6.674 7.868 ( -0.098 0.000 0.000) 0.098 8.099 ( 0.269 0.000 0.000) 0.269 8.443 ( -0.002 0.000 0.000) 0.002 8.777 ( 1.889 0.000 0.000) 1.889 9.646 ( -3.302 0.000 0.000) 3.302 ======================= Grid point 2 (3/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 33.877 0.000 0.000) 33.877 1.525 ( 35.360 0.000 0.000) 35.360 2.191 ( 48.973 0.000 0.000) 48.973 3.744 ( -8.189 0.000 0.000) 8.189 4.320 ( -16.395 0.000 0.000) 16.395 4.351 ( 3.359 0.000 0.000) 3.359 4.608 ( 0.032 0.000 0.000) 0.032 4.668 ( -2.524 0.000 0.000) 2.524 5.044 ( 4.270 0.000 0.000) 4.270 5.390 ( -1.483 0.000 0.000) 1.483 5.487 ( -4.452 0.000 0.000) 4.452 5.819 ( -12.632 0.000 0.000) 12.632 7.868 ( 0.141 0.000 0.000) 0.141 7.876 ( 6.907 0.000 0.000) 6.907 8.119 ( 2.108 0.000 0.000) 2.108 8.444 ( 0.044 0.000 0.000) 0.044 8.836 ( 3.818 0.000 0.000) 3.818 9.549 ( -6.032 0.000 0.000) 6.032 ======================= Grid point 3 (4/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 29.837 0.000 0.000) 29.837 2.221 ( 32.406 0.000 0.000) 32.406 3.110 ( 39.478 0.000 0.000) 39.478 3.515 ( -14.123 0.000 0.000) 14.123 3.936 ( -20.031 0.000 0.000) 20.031 4.403 ( 0.750 0.000 0.000) 0.750 4.609 ( 0.122 0.000 0.000) 0.122 4.633 ( -1.024 0.000 0.000) 1.024 5.131 ( 4.246 0.000 0.000) 4.246 5.351 ( -2.401 0.000 0.000) 2.401 5.361 ( -7.294 0.000 0.000) 7.294 5.552 ( -12.773 0.000 0.000) 12.773 7.880 ( 1.131 0.000 0.000) 1.131 7.960 ( 1.197 0.000 0.000) 1.197 8.205 ( 5.952 0.000 0.000) 5.952 8.439 ( -0.724 0.000 0.000) 0.724 8.935 ( 5.842 0.000 0.000) 5.842 9.405 ( -7.774 0.000 0.000) 7.774 ======================= Grid point 4 (5/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 25.021 0.000 0.000) 25.021 2.849 ( 28.819 0.000 0.000) 28.819 3.167 ( -19.776 0.000 0.000) 19.776 3.386 ( -21.543 0.000 0.000) 21.543 3.905 ( 25.277 0.000 0.000) 25.277 4.312 ( -11.707 0.000 0.000) 11.707 4.613 ( 0.231 0.000 0.000) 0.231 4.619 ( -0.408 0.000 0.000) 0.408 5.216 ( 3.993 0.000 0.000) 3.993 5.248 ( -1.657 0.000 0.000) 1.657 5.292 ( -3.322 0.000 0.000) 3.322 5.325 ( -8.454 0.000 0.000) 8.454 7.913 ( 1.976 0.000 0.000) 1.976 7.952 ( -1.509 0.000 0.000) 1.509 8.325 ( 5.151 0.000 0.000) 5.151 8.406 ( -2.688 0.000 0.000) 2.688 9.073 ( 7.563 0.000 0.000) 7.563 9.238 ( -8.304 0.000 0.000) 8.304 ======================= Grid point 9 (6/225) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 26.609 0.000) 26.609 0.804 ( 0.000 39.013 0.000) 39.013 1.253 ( 0.000 60.354 0.000) 60.354 3.709 ( 0.000 -15.918 0.000) 15.918 4.249 ( 0.000 -11.509 0.000) 11.509 4.562 ( 0.000 -0.539 0.000) 0.539 4.657 ( 0.000 3.320 0.000) 3.320 4.857 ( 0.000 5.946 0.000) 5.946 4.892 ( 0.000 -0.304 0.000) 0.304 5.410 ( 0.000 -0.914 0.000) 0.914 5.720 ( 0.000 -4.216 0.000) 4.216 5.799 ( 0.000 -6.001 0.000) 6.001 7.606 ( 0.000 3.629 0.000) 3.629 7.721 ( 0.000 6.629 0.000) 6.629 8.109 ( 0.000 0.844 0.000) 0.844 8.429 ( 0.000 -1.538 0.000) 1.538 8.666 ( 0.000 3.514 0.000) 3.514 9.649 ( 0.000 -3.033 0.000) 3.033 ======================= Grid point 10 (7/225) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 30.061 15.157 0.000) 33.666 1.035 ( 22.891 25.633 0.000) 34.366 1.714 ( 36.298 44.465 0.000) 57.399 3.698 ( -1.334 -14.373 0.000) 14.434 4.191 ( -2.417 -9.682 0.000) 9.979 4.573 ( -3.041 -1.515 0.000) 3.398 4.654 ( -0.281 3.228 0.000) 3.240 4.768 ( -4.958 3.014 0.000) 5.802 4.973 ( 4.293 1.835 0.000) 4.669 5.403 ( -0.739 -0.964 0.000) 1.214 5.505 ( -7.351 -3.414 0.000) 8.105 5.910 ( -1.643 -9.146 0.000) 9.292 7.692 ( 3.769 -2.896 0.000) 4.753 7.806 ( 7.112 4.238 0.000) 8.279 8.156 ( 1.983 1.873 0.000) 2.728 8.429 ( 0.510 -1.346 0.000) 1.439 8.732 ( 4.651 -0.116 0.000) 4.653 9.611 ( -3.617 -3.386 0.000) 4.955 ======================= Grid point 11 (8/225) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 31.787 8.755 0.000) 32.971 1.614 ( 30.922 10.425 0.000) 32.632 2.532 ( 41.106 29.358 0.000) 50.513 3.637 ( -5.109 -9.992 0.000) 11.222 4.118 ( -7.358 -12.373 0.000) 14.396 4.466 ( -4.376 3.935 0.000) 5.885 4.644 ( -0.908 2.931 0.000) 3.068 4.680 ( -3.182 1.313 0.000) 3.442 5.056 ( 3.856 1.206 0.000) 4.040 5.379 ( -1.555 -1.086 0.000) 1.897 5.390 ( -5.371 -7.893 0.000) 9.547 5.779 ( -9.588 -3.902 0.000) 10.352 7.747 ( 2.233 -4.411 0.000) 4.944 7.963 ( 7.228 4.034 0.000) 8.278 8.161 ( -0.375 2.482 0.000) 2.510 8.448 ( 0.936 0.136 0.000) 0.946 8.822 ( 4.253 -0.908 0.000) 4.349 9.506 ( -6.456 -4.162 0.000) 7.681 ======================= Grid point 12 (9/225) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 28.599 5.717 0.000) 29.164 2.248 ( 30.328 3.643 0.000) 30.546 3.330 ( 34.702 19.865 0.000) 39.986 3.471 ( -11.361 -4.376 0.000) 12.174 3.850 ( -16.667 -7.909 0.000) 18.449 4.443 ( 0.436 3.410 0.000) 3.438 4.618 ( -0.978 0.890 0.000) 1.322 4.644 ( -0.960 1.040 0.000) 1.415 5.133 ( 3.740 0.231 0.000) 3.747 5.263 ( -6.552 -8.304 0.000) 10.578 5.338 ( -2.433 -1.192 0.000) 2.709 5.549 ( -12.427 -0.957 0.000) 12.463 7.800 ( 3.126 -4.010 0.000) 5.084 8.027 ( -1.422 2.919 0.000) 3.247 8.216 ( 5.988 1.454 0.000) 6.161 8.455 ( -0.414 1.287 0.000) 1.352 8.916 ( 5.156 -1.869 0.000) 5.484 9.356 ( -7.933 -4.778 0.000) 9.261 ======================= Grid point 13 (10/225) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 23.745 3.271 0.000) 23.969 2.844 ( 27.578 0.006 0.000) 27.578 3.170 ( -17.931 0.184 0.000) 17.932 3.368 ( -22.988 -1.975 0.000) 23.073 4.023 ( 24.975 11.088 0.000) 27.325 4.383 ( -9.028 6.405 0.000) 11.070 4.613 ( 0.359 0.128 0.000) 0.381 4.626 ( -0.811 0.561 0.000) 0.986 5.178 ( 0.214 -6.286 0.000) 6.290 5.209 ( 3.646 -0.637 0.000) 3.701 5.280 ( -3.207 -1.107 0.000) 3.393 5.300 ( -10.592 -2.337 0.000) 10.847 7.876 ( 4.188 -2.350 0.000) 4.802 7.963 ( -4.039 0.067 0.000) 4.039 8.340 ( 5.362 1.626 0.000) 5.603 8.424 ( -2.745 1.602 0.000) 3.178 9.038 ( 6.779 -3.459 0.000) 7.610 9.191 ( -7.949 -4.605 0.000) 9.186 ======================= Grid point 18 (11/225) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 27.812 0.000) 27.812 1.563 ( 0.000 35.920 0.000) 35.920 2.401 ( 0.000 52.096 0.000) 52.096 3.306 ( 0.000 -23.108 0.000) 23.108 3.938 ( 0.000 -18.153 0.000) 18.153 4.548 ( 0.000 -1.033 0.000) 1.033 4.717 ( 0.000 2.693 0.000) 2.693 4.881 ( 0.000 -0.828 0.000) 0.828 5.003 ( 0.000 7.608 0.000) 7.608 5.382 ( 0.000 -1.909 0.000) 1.909 5.588 ( 0.000 -8.702 0.000) 8.702 5.636 ( 0.000 -9.531 0.000) 9.531 7.708 ( 0.000 6.245 0.000) 6.245 7.880 ( 0.000 8.220 0.000) 8.220 8.117 ( 0.000 -0.337 0.000) 0.337 8.379 ( 0.000 -3.393 0.000) 3.393 8.783 ( 0.000 8.133 0.000) 8.133 9.559 ( 0.000 -5.869 0.000) 5.869 ======================= Grid point 19 (12/225) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 20.909 22.467 0.000) 30.691 1.642 ( 8.986 31.842 0.000) 33.085 2.656 ( 22.289 45.349 0.000) 50.530 3.329 ( 1.968 -21.333 0.000) 21.424 3.909 ( -2.417 -16.977 0.000) 17.149 4.548 ( -0.542 -0.760 0.000) 0.933 4.711 ( -0.514 2.531 0.000) 2.583 4.823 ( -4.520 1.617 0.000) 4.800 5.040 ( 2.615 4.793 0.000) 5.460 5.373 ( -0.858 -1.981 0.000) 2.158 5.408 ( -9.893 -6.183 0.000) 11.666 5.710 ( 0.659 -10.986 0.000) 11.006 7.719 ( 0.521 4.499 0.000) 4.529 7.929 ( 4.609 6.630 0.000) 8.074 8.170 ( 3.351 -0.378 0.000) 3.373 8.387 ( 1.266 -2.887 0.000) 3.152 8.794 ( 0.997 5.951 0.000) 6.034 9.512 ( -4.435 -6.333 0.000) 7.732 ======================= Grid point 20 (13/225) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 26.743 15.417 0.000) 30.868 1.943 ( 19.473 20.882 0.000) 28.553 3.207 ( 29.438 33.178 0.000) 44.355 3.367 ( 1.027 -16.209 0.000) 16.241 3.836 ( -5.431 -14.269 0.000) 15.267 4.522 ( -1.295 2.379 0.000) 2.709 4.696 ( -1.037 2.031 0.000) 2.281 4.724 ( -4.748 2.578 0.000) 5.402 5.093 ( 2.439 2.457 0.000) 3.462 5.227 ( -7.897 -7.640 0.000) 10.988 5.347 ( -1.706 -2.130 0.000) 2.729 5.658 ( -5.310 -8.282 0.000) 9.838 7.727 ( 0.644 2.133 0.000) 2.228 8.039 ( 4.626 2.705 0.000) 5.359 8.202 ( 0.718 2.086 0.000) 2.206 8.438 ( 3.001 -1.286 0.000) 3.265 8.821 ( 1.647 1.371 0.000) 2.143 9.386 ( -7.502 -7.425 0.000) 10.555 ======================= Grid point 21 (14/225) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 25.039 10.274 0.000) 27.065 2.394 ( 23.435 10.760 0.000) 25.788 3.340 ( -4.403 -8.549 0.000) 9.616 3.638 ( -11.054 -12.723 0.000) 16.854 3.817 ( 25.634 25.900 0.000) 36.441 4.533 ( 2.521 5.881 0.000) 6.399 4.644 ( -2.657 1.619 0.000) 3.112 4.670 ( -1.468 1.360 0.000) 2.001 5.074 ( -6.691 -9.644 0.000) 11.738 5.142 ( 2.412 0.675 0.000) 2.504 5.304 ( -2.420 -2.160 0.000) 3.244 5.499 ( -10.235 -4.264 0.000) 11.087 7.760 ( 2.734 0.133 0.000) 2.737 8.045 ( -3.462 -0.984 0.000) 3.599 8.275 ( 5.886 4.250 0.000) 7.260 8.479 ( 0.700 0.895 0.000) 1.137 8.864 ( 2.660 -2.937 0.000) 3.963 9.220 ( -8.331 -8.326 0.000) 11.778 ======================= Grid point 22 (15/225) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 19.893 5.468 0.000) 20.631 2.873 ( 22.767 3.152 0.000) 22.985 3.167 ( -12.524 -0.640 0.000) 12.540 3.308 ( -19.283 -3.774 0.000) 19.649 4.294 ( 18.642 13.578 0.000) 23.062 4.545 ( -4.910 9.374 0.000) 10.582 4.620 ( 0.118 0.516 0.000) 0.529 4.639 ( -1.437 0.582 0.000) 1.551 5.028 ( 4.991 -7.638 0.000) 9.124 5.194 ( 2.664 -0.799 0.000) 2.781 5.248 ( -13.411 -2.393 0.000) 13.622 5.250 ( -2.769 -1.780 0.000) 3.292 7.839 ( 4.879 -1.061 0.000) 4.993 7.948 ( -5.414 -1.342 0.000) 5.577 8.391 ( 4.838 3.207 0.000) 5.805 8.464 ( -2.196 2.217 0.000) 3.121 8.938 ( 4.719 -6.185 0.000) 7.780 9.059 ( -7.062 -8.060 0.000) 10.716 ======================= Grid point 27 (16/225) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.000 28.765 0.000) 28.765 2.248 ( 0.000 31.818 0.000) 31.818 2.798 ( 0.000 -26.852 0.000) 26.852 3.182 ( 0.000 9.163 0.000) 9.163 3.683 ( 0.000 8.667 0.000) 8.667 4.488 ( 0.000 -6.747 0.000) 6.747 4.770 ( 0.000 2.575 0.000) 2.575 4.857 ( 0.000 -1.551 0.000) 1.551 5.145 ( 0.000 6.283 0.000) 6.283 5.332 ( 0.000 -3.094 0.000) 3.094 5.395 ( 0.000 -8.791 0.000) 8.791 5.440 ( 0.000 -9.021 0.000) 9.021 7.845 ( 0.000 6.905 0.000) 6.905 8.019 ( 0.000 3.656 0.000) 3.656 8.100 ( 0.000 0.285 0.000) 0.285 8.294 ( 0.000 -4.899 0.000) 4.899 8.984 ( 0.000 11.222 0.000) 11.222 9.412 ( 0.000 -8.632 0.000) 8.632 ======================= Grid point 28 (17/225) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 14.396 25.581 0.000) 29.354 2.274 ( 3.228 30.148 0.000) 30.320 2.858 ( 5.566 -24.886 0.000) 25.501 3.257 ( 5.551 -3.917 0.000) 6.794 3.750 ( 7.305 18.506 0.000) 19.896 4.513 ( 2.116 -4.562 0.000) 5.029 4.761 ( -0.885 2.354 0.000) 2.515 4.830 ( -2.530 -0.660 0.000) 2.615 5.148 ( 0.210 5.362 0.000) 5.366 5.280 ( -7.977 -5.130 0.000) 9.484 5.322 ( -0.947 -3.108 0.000) 3.249 5.468 ( 0.054 -12.282 0.000) 12.282 7.838 ( -0.816 6.725 0.000) 6.774 8.028 ( 0.873 1.444 0.000) 1.688 8.159 ( 4.837 0.801 0.000) 4.903 8.314 ( 2.302 -4.138 0.000) 4.735 8.958 ( -2.466 9.753 0.000) 10.060 9.359 ( -5.020 -8.715 0.000) 10.058 ======================= Grid point 29 (18/225) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 20.581 19.330 0.000) 28.235 2.408 ( 9.985 24.218 0.000) 26.196 3.001 ( 7.604 -19.562 0.000) 20.988 3.344 ( 2.342 -18.817 0.000) 18.963 3.991 ( 15.008 27.392 0.000) 31.235 4.564 ( 3.153 0.516 0.000) 3.195 4.733 ( -1.809 1.710 0.000) 2.489 4.761 ( -3.965 0.895 0.000) 4.064 5.103 ( -8.957 -3.220 0.000) 9.519 5.153 ( 0.350 3.443 0.000) 3.461 5.294 ( -1.714 -3.042 0.000) 3.492 5.441 ( -2.505 -13.038 0.000) 13.277 7.813 ( -1.297 5.828 0.000) 5.971 8.038 ( -0.575 -2.905 0.000) 2.961 8.262 ( 5.064 3.559 0.000) 6.190 8.395 ( 4.979 -2.831 0.000) 5.728 8.892 ( -3.634 5.665 0.000) 6.731 9.218 ( -8.302 -8.904 0.000) 12.174 ======================= Grid point 30 (19/225) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 19.513 12.919 0.000) 23.402 2.666 ( 14.480 15.648 0.000) 21.320 3.132 ( 4.141 -11.795 0.000) 12.501 3.344 ( -2.729 -16.083 0.000) 16.313 4.290 ( 12.511 19.140 0.000) 22.866 4.677 ( -3.365 1.459 0.000) 3.668 4.682 ( 9.527 5.930 0.000) 11.222 4.693 ( -2.451 0.800 0.000) 2.578 4.914 ( -9.586 -2.738 0.000) 9.969 5.163 ( 0.650 1.495 0.000) 1.630 5.254 ( -2.061 -2.634 0.000) 3.345 5.361 ( -5.554 -9.713 0.000) 11.189 7.802 ( 0.550 3.857 0.000) 3.896 7.996 ( -3.301 -3.811 0.000) 5.042 8.369 ( 5.188 4.572 0.000) 6.916 8.484 ( 3.067 -0.700 0.000) 3.146 8.825 ( -2.423 -0.041 0.000) 2.423 9.040 ( -8.568 -8.936 0.000) 12.380 ======================= Grid point 31 (20/225) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 13.508 5.957 0.000) 14.763 2.968 ( 14.194 5.989 0.000) 15.406 3.136 ( -4.301 -2.592 0.000) 5.022 3.218 ( -9.548 -5.208 0.000) 10.876 4.505 ( 9.653 7.458 0.000) 12.199 4.633 ( -0.700 0.702 0.000) 0.991 4.647 ( -1.810 0.186 0.000) 1.820 4.708 ( -10.086 2.205 0.000) 10.325 4.942 ( 13.893 2.951 0.000) 14.203 5.182 ( 1.222 -0.240 0.000) 1.246 5.199 ( -10.432 -3.111 0.000) 10.886 5.214 ( -1.834 -1.679 0.000) 2.486 7.840 ( 3.005 1.083 0.000) 3.194 7.916 ( -4.134 -1.804 0.000) 4.510 8.462 ( 3.605 3.575 0.000) 5.077 8.508 ( -0.695 1.940 0.000) 2.061 8.812 ( 1.473 -5.386 0.000) 5.584 8.888 ( -5.825 -8.135 0.000) 10.005 ======================= Grid point 36 (21/225) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 -28.615 0.000) 28.615 2.234 ( 0.000 28.615 0.000) 28.615 2.843 ( 0.000 -26.664 0.000) 26.664 2.843 ( 0.000 26.664 0.000) 26.664 4.186 ( 0.000 -23.948 0.000) 23.948 4.186 ( 0.000 23.948 0.000) 23.948 4.819 ( 0.000 -2.218 0.000) 2.218 4.819 ( 0.000 2.218 0.000) 2.218 5.255 ( 0.000 -4.571 0.000) 4.571 5.255 ( 0.000 4.571 0.000) 4.571 5.316 ( 0.000 -1.916 0.000) 1.916 5.316 ( 0.000 1.916 0.000) 1.916 7.972 ( 0.000 -5.359 0.000) 5.359 7.972 ( 0.000 5.359 0.000) 5.359 8.186 ( 0.000 -5.617 0.000) 5.617 8.186 ( 0.000 5.617 0.000) 5.617 9.213 ( 0.000 -10.929 0.000) 10.929 9.213 ( 0.000 10.929 0.000) 10.929 ======================= Grid point 38 (22/225) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 9.572 -26.276 0.000) 27.965 2.338 ( 9.572 26.276 0.000) 27.965 2.848 ( 0.898 -26.402 0.000) 26.417 2.848 ( 0.898 26.402 0.000) 26.417 4.266 ( 7.177 -21.219 0.000) 22.400 4.266 ( 7.177 21.219 0.000) 22.400 4.804 ( -1.449 -1.829 0.000) 2.334 4.804 ( -1.449 1.829 0.000) 2.334 5.247 ( -0.761 -4.341 0.000) 4.407 5.247 ( -0.761 4.341 0.000) 4.407 5.272 ( -3.950 -5.384 0.000) 6.678 5.272 ( -3.950 5.384 0.000) 6.678 7.969 ( -0.669 -5.668 0.000) 5.708 7.969 ( -0.669 5.668 0.000) 5.708 8.225 ( 3.853 -4.477 0.000) 5.906 8.225 ( 3.853 4.477 0.000) 5.906 9.165 ( -4.514 -10.289 0.000) 11.236 9.165 ( -4.514 10.289 0.000) 11.236 ======================= Grid point 40 (23/225) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 14.140 -20.629 0.000) 25.010 2.592 ( 14.140 20.629 0.000) 25.010 2.897 ( 4.024 -23.785 0.000) 24.123 2.897 ( 4.024 23.785 0.000) 24.123 4.440 ( 8.723 -14.565 0.000) 16.977 4.440 ( 8.723 14.565 0.000) 16.977 4.760 ( -2.739 -0.827 0.000) 2.861 4.760 ( -2.739 0.827 0.000) 2.861 5.177 ( -4.639 -10.669 0.000) 11.634 5.177 ( -4.639 10.669 0.000) 11.634 5.226 ( -1.167 -3.604 0.000) 3.789 5.226 ( -1.167 3.604 0.000) 3.789 7.940 ( -1.962 -6.172 0.000) 6.476 7.940 ( -1.962 6.172 0.000) 6.476 8.332 ( 5.934 -3.314 0.000) 6.797 8.332 ( 5.934 3.314 0.000) 6.797 9.039 ( -7.360 -8.485 0.000) 11.232 9.039 ( -7.360 8.485 0.000) 11.232 ======================= Grid point 42 (24/225) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 12.399 -13.390 0.000) 18.249 2.874 ( 12.399 13.390 0.000) 18.249 3.003 ( 5.708 -17.228 0.000) 18.149 3.003 ( 5.708 17.228 0.000) 18.149 4.585 ( 4.736 -11.072 0.000) 12.042 4.585 ( 4.736 11.072 0.000) 12.042 4.697 ( -3.176 -0.423 0.000) 3.205 4.697 ( -3.176 0.423 0.000) 3.205 5.106 ( -1.916 -14.779 0.000) 14.903 5.106 ( -1.916 14.779 0.000) 14.903 5.203 ( -1.023 -2.364 0.000) 2.576 5.203 ( -1.023 2.364 0.000) 2.576 7.900 ( -1.726 -5.294 0.000) 5.568 7.900 ( -1.726 5.294 0.000) 5.568 8.446 ( 4.844 -2.926 0.000) 5.659 8.446 ( 4.844 2.926 0.000) 5.659 8.884 ( -7.176 -5.819 0.000) 9.239 8.884 ( -7.176 5.819 0.000) 9.239 ======================= Grid point 44 (25/225) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 5.029 -4.760 0.000) 6.924 3.061 ( 5.029 4.760 0.000) 6.924 3.098 ( 2.788 -6.488 0.000) 7.062 3.098 ( 2.788 6.488 0.000) 7.062 4.634 ( 0.710 -5.905 0.000) 5.947 4.634 ( 0.710 5.905 0.000) 5.947 4.645 ( -1.557 -0.408 0.000) 1.609 4.645 ( -1.557 0.408 0.000) 1.609 5.094 ( 0.166 -7.608 0.000) 7.610 5.094 ( 0.166 7.608 0.000) 7.610 5.187 ( -0.402 -0.816 0.000) 0.909 5.187 ( -0.402 0.816 0.000) 0.909 7.875 ( -0.605 -2.135 0.000) 2.219 7.875 ( -0.605 2.135 0.000) 2.219 8.519 ( 2.035 -1.452 0.000) 2.500 8.519 ( 2.035 1.452 0.000) 2.500 8.771 ( -3.271 -2.315 0.000) 4.007 8.771 ( -3.271 2.315 0.000) 4.007 ======================= Grid point 81 (26/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 0.000 27.143) 27.143 0.715 ( 0.000 0.000 36.011) 36.011 1.032 ( 0.000 0.000 51.807) 51.807 3.976 ( 0.000 0.000 8.553) 8.553 4.273 ( 0.000 0.000 1.148) 1.148 4.558 ( 0.000 0.000 -0.544) 0.544 4.707 ( 0.000 0.000 9.159) 9.159 4.913 ( 0.000 0.000 11.772) 11.772 5.000 ( 0.000 0.000 10.168) 10.168 5.560 ( 0.000 0.000 0.400) 0.400 5.771 ( 0.000 0.000 1.084) 1.084 7.568 ( 0.000 0.000 -0.043) 0.043 7.638 ( 0.000 0.000 -0.958) 0.958 7.769 ( 0.000 0.000 -0.935) 0.935 7.863 ( 0.000 0.000 -0.664) 0.664 8.116 ( 0.000 0.000 1.809) 1.809 8.425 ( 0.000 0.000 -1.899) 1.899 9.650 ( 0.000 0.000 -3.055) 3.055 ======================= Grid point 82 (27/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 24.159 0.000 18.129) 30.204 0.937 ( 30.245 0.000 14.766) 33.657 1.609 ( 39.964 0.000 37.097) 54.527 3.945 ( -3.224 0.000 8.517) 9.107 4.297 ( 2.168 0.000 1.054) 2.411 4.508 ( -6.135 0.000 -2.822) 6.753 4.713 ( 0.309 0.000 9.453) 9.458 4.854 ( -3.769 0.000 11.487) 12.090 5.060 ( 4.008 0.000 10.236) 10.993 5.548 ( -1.274 0.000 0.589) 1.404 5.670 ( -7.453 0.000 8.054) 10.973 6.425 ( -34.662 0.000 30.832) 46.390 7.721 ( 6.377 0.000 -0.300) 6.384 7.863 ( 0.023 0.000 -0.531) 0.532 8.088 ( 0.616 0.000 -1.468) 1.592 8.424 ( -0.052 0.000 -1.952) 1.953 8.547 ( 16.184 0.000 -15.710) 22.556 9.616 ( -3.230 0.000 -2.977) 4.393 ======================= Grid point 83 (28/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 33.057 0.000 3.906) 33.287 1.599 ( 32.892 0.000 7.307) 33.694 2.459 ( 41.194 0.000 24.140) 47.746 3.830 ( -8.312 0.000 8.346) 11.779 4.290 ( -14.677 0.000 -1.935) 14.804 4.350 ( 2.639 0.000 0.490) 2.685 4.720 ( 0.399 0.000 10.628) 10.635 4.792 ( -1.936 0.000 11.655) 11.815 5.143 ( 4.070 0.000 9.872) 10.678 5.497 ( -3.988 0.000 1.314) 4.199 5.536 ( -5.484 0.000 8.894) 10.448 5.952 ( -16.934 0.000 15.383) 22.878 7.865 ( 0.257 0.000 -0.261) 0.367 7.867 ( 6.578 0.000 -1.003) 6.654 8.110 ( 2.187 0.000 -0.872) 2.355 8.423 ( -0.032 0.000 -2.091) 2.092 8.749 ( 6.909 0.000 -7.797) 10.418 9.521 ( -5.920 0.000 -2.775) 6.538 ======================= Grid point 84 (29/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 30.709 0.000 2.328) 30.797 2.258 ( 31.074 0.000 3.740) 31.298 3.242 ( 33.258 0.000 12.862) 35.658 3.596 ( -14.557 0.000 7.665) 16.452 3.937 ( -18.249 0.000 0.439) 18.255 4.381 ( -0.410 0.000 -0.679) 0.793 4.732 ( 0.930 0.000 11.931) 11.967 4.780 ( 0.585 0.000 12.968) 12.981 5.222 ( 3.155 0.000 8.553) 9.116 5.389 ( -5.690 0.000 3.594) 6.730 5.426 ( -5.811 0.000 4.514) 7.358 5.655 ( -12.045 0.000 12.588) 17.422 7.878 ( 1.086 0.000 -0.178) 1.100 7.948 ( 1.289 0.000 -1.266) 1.807 8.195 ( 5.650 0.000 -1.063) 5.749 8.417 ( -0.745 0.000 -2.201) 2.324 8.886 ( 6.986 0.000 -4.613) 8.372 9.380 ( -7.711 0.000 -2.565) 8.126 ======================= Grid point 85 (30/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 25.893 0.000 3.705) 26.157 2.862 ( 27.401 0.000 1.289) 27.431 3.237 ( -20.064 0.000 6.494) 21.089 3.391 ( -21.089 0.000 0.711) 21.101 3.953 ( 21.391 0.000 5.310) 22.040 4.290 ( -9.837 0.000 -0.327) 9.842 4.761 ( 1.823 0.000 14.184) 14.301 4.791 ( -0.379 0.000 15.367) 15.372 5.225 ( -0.909 0.000 1.267) 1.559 5.291 ( -6.496 0.000 0.702) 6.534 5.365 ( 3.561 0.000 11.345) 11.891 5.469 ( -6.502 0.000 13.251) 14.760 7.909 ( 1.780 0.000 -0.449) 1.836 7.943 ( -1.294 0.000 -0.902) 1.577 8.308 ( 4.877 0.000 -1.701) 5.165 8.385 ( -2.574 0.000 -2.108) 3.327 9.041 ( 8.071 0.000 -3.159) 8.667 9.212 ( -8.439 0.000 -2.588) 8.827 ======================= Grid point 90 (31/225) ======================= q-point: ( 0.00 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 18.652 32.759) 37.697 1.069 ( 0.000 28.702 23.455) 37.067 1.441 ( 0.000 47.901 22.497) 52.921 3.797 ( 0.000 -15.714 8.569) 17.898 4.208 ( 0.000 -8.114 -0.800) 8.153 4.561 ( 0.000 0.027 0.234) 0.235 4.767 ( 0.000 4.289 10.315) 11.171 4.962 ( 0.000 4.936 10.533) 11.633 5.003 ( 0.000 0.073 10.348) 10.349 5.469 ( 0.000 -6.972 1.664) 7.168 5.730 ( 0.000 -4.092 1.230) 4.273 6.391 ( 0.000 -39.593 39.347) 55.819 7.605 ( 0.000 3.577 -0.102) 3.578 7.719 ( 0.000 6.587 -0.243) 6.592 8.118 ( 0.000 0.596 1.000) 1.164 8.411 ( 0.000 -1.383 -1.739) 2.222 8.533 ( 0.000 12.110 -10.654) 16.130 9.616 ( 0.000 -3.272 -3.306) 4.651 ======================= Grid point 91 (32/225) ======================= q-point: ( 0.11 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 13.528 20.700 17.076) 30.052 1.323 ( 20.193 22.786 19.264) 36.029 1.933 ( 35.534 32.575 22.780) 53.317 3.788 ( -1.192 -14.073 8.714) 16.595 4.195 ( -0.967 -9.620 0.892) 9.710 4.528 ( -3.958 1.025 -1.955) 4.532 4.767 ( -0.127 3.894 10.404) 11.109 4.879 ( -4.670 2.391 10.584) 11.813 5.079 ( 4.146 1.929 10.303) 11.272 5.458 ( -1.385 -7.425 1.330) 7.670 5.645 ( -6.402 -2.618 7.581) 10.262 6.159 ( -14.807 -17.622 25.328) 34.224 7.690 ( 3.792 -2.779 -0.200) 4.706 7.801 ( 6.993 4.298 -0.476) 8.222 8.156 ( 1.378 1.984 -0.011) 2.416 8.411 ( 0.539 -1.153 -1.833) 2.232 8.621 ( 6.624 4.883 -9.459) 12.538 9.580 ( -3.507 -3.579 -3.192) 5.941 ======================= Grid point 92 (33/225) ======================= q-point: ( 0.22 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 29.424 8.990 3.716) 30.991 1.823 ( 26.919 14.847 12.901) 33.339 2.702 ( 37.627 23.071 16.977) 47.290 3.729 ( -5.103 -9.463 8.829) 13.912 4.130 ( -7.525 -11.568 1.530) 13.885 4.426 ( -3.731 3.675 -2.455) 5.783 4.757 ( -0.860 3.042 10.517) 10.982 4.801 ( -2.386 0.918 11.292) 11.578 5.158 ( 3.606 1.412 9.984) 10.709 5.398 ( -4.495 -8.242 1.394) 9.491 5.531 ( -4.518 -0.987 10.062) 11.074 5.882 ( -12.660 -6.058 12.694) 18.924 7.747 ( 2.317 -4.183 -0.051) 4.782 7.954 ( 6.959 4.029 -0.869) 8.088 8.154 ( -0.468 2.556 -0.694) 2.689 8.429 ( 0.837 0.301 -1.901) 2.099 8.751 ( 5.852 0.287 -6.577) 8.808 9.477 ( -6.284 -4.261 -2.883) 8.121 ======================= Grid point 93 (34/225) ======================= q-point: ( 0.33 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 30.133 3.138 0.237) 30.297 2.384 ( 27.120 9.016 9.222) 30.031 3.408 ( 26.511 14.662 7.885) 31.305 3.566 ( -8.720 -2.029 9.102) 12.767 3.869 ( -15.176 -6.759 2.394) 16.785 4.399 ( -0.510 2.120 -2.449) 3.279 4.744 ( 0.070 0.868 11.333) 11.366 4.786 ( 0.545 0.735 12.882) 12.915 5.212 ( -0.108 -2.303 5.724) 6.171 5.303 ( -2.438 -5.361 6.237) 8.578 5.438 ( -5.291 -0.022 6.832) 8.641 5.631 ( -11.458 -2.363 10.844) 15.951 7.800 ( 3.066 -3.821 -0.014) 4.899 8.017 ( -1.288 3.022 -1.075) 3.456 8.205 ( 5.636 1.449 -1.054) 5.914 8.434 ( -0.475 1.387 -2.097) 2.558 8.871 ( 6.088 -1.607 -4.375) 7.668 9.331 ( -7.821 -4.771 -2.559) 9.512 ======================= Grid point 94 (35/225) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 26.103 0.892 0.871) 26.133 2.918 ( 24.692 4.433 6.678) 25.960 3.225 ( -19.277 -0.719 4.390) 19.784 3.402 ( -21.379 0.266 4.206) 21.790 4.042 ( 20.731 8.455 2.719) 22.553 4.334 ( -7.555 4.171 -2.362) 8.947 4.765 ( 1.923 0.262 13.763) 13.900 4.800 ( -0.364 0.912 15.416) 15.448 5.168 ( 0.425 -5.424 0.520) 5.465 5.280 ( -8.184 -0.858 1.801) 8.423 5.350 ( 3.396 -1.151 12.007) 12.531 5.447 ( -6.173 -1.879 13.387) 14.861 7.874 ( 4.001 -2.197 -0.287) 4.573 7.956 ( -3.842 0.200 -0.707) 3.912 8.323 ( 5.105 1.638 -1.708) 5.627 8.403 ( -2.657 1.646 -2.071) 3.749 9.007 ( 7.263 -3.349 -3.058) 8.562 9.166 ( -8.063 -4.529 -2.512) 9.583 ======================= Grid point 99 (36/225) ======================= q-point: ( 0.00 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 20.657 29.334) 35.878 1.704 ( 0.000 32.306 13.678) 35.082 2.485 ( 0.000 49.992 8.960) 50.789 3.405 ( 0.000 -22.214 9.613) 24.204 3.946 ( 0.000 -16.581 1.266) 16.629 4.557 ( 0.000 -0.565 1.237) 1.360 4.841 ( 0.000 3.054 11.858) 12.245 4.997 ( 0.000 -0.707 11.090) 11.113 5.092 ( 0.000 6.841 8.554) 10.953 5.343 ( 0.000 -5.360 -1.643) 5.606 5.605 ( 0.000 -8.095 2.006) 8.340 5.914 ( 0.000 -15.104 22.876) 27.412 7.706 ( 0.000 6.178 -0.233) 6.183 7.877 ( 0.000 8.201 -0.296) 8.206 8.121 ( 0.000 -0.576 0.484) 0.752 8.366 ( 0.000 -3.130 -1.301) 3.390 8.724 ( 0.000 9.330 -5.658) 10.912 9.520 ( 0.000 -6.206 -3.914) 7.337 ======================= Grid point 100 (37/225) ======================= q-point: ( 0.11 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 10.298 23.261 18.200) 31.279 1.806 ( 11.132 26.424 15.926) 32.799 2.748 ( 22.486 42.487 9.727) 49.045 3.430 ( 2.163 -20.514 9.804) 22.839 3.925 ( -1.976 -16.177 1.758) 16.391 4.541 ( -1.690 0.426 0.087) 1.745 4.835 ( -0.592 2.806 11.744) 12.089 4.928 ( -4.914 1.700 9.793) 11.088 5.141 ( 3.032 3.943 9.595) 10.808 5.312 ( -2.975 -6.288 -1.030) 7.033 5.559 ( -3.546 -5.889 6.598) 9.528 5.858 ( -4.901 -12.725 16.859) 21.684 7.717 ( 0.642 4.455 -0.124) 4.503 7.925 ( 4.476 6.640 -0.430) 8.019 8.168 ( 2.960 -0.489 -0.092) 3.002 8.374 ( 1.235 -2.609 -1.323) 3.175 8.737 ( 1.158 7.043 -5.532) 9.031 9.475 ( -4.234 -6.622 -3.698) 8.686 ======================= Grid point 101 (38/225) ======================= q-point: ( 0.22 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 20.410 19.546 5.108) 28.718 2.142 ( 20.230 17.137 15.924) 30.928 3.285 ( 27.540 29.967 8.184) 41.515 3.474 ( 1.663 -14.947 10.370) 18.268 3.855 ( -5.477 -14.169 2.047) 15.328 4.496 ( -2.036 3.491 -1.346) 4.259 4.816 ( -1.570 2.349 10.797) 11.161 4.828 ( -3.938 1.690 9.847) 10.739 5.176 ( -1.682 -2.685 4.388) 5.413 5.243 ( -1.464 -3.243 6.696) 7.582 5.490 ( -3.100 -3.192 10.013) 10.958 5.732 ( -7.230 -8.635 9.832) 14.950 7.728 ( 0.753 2.106 0.146) 2.241 8.031 ( 4.436 2.759 -0.810) 5.287 8.196 ( 0.630 2.087 -0.591) 2.259 8.423 ( 2.860 -1.070 -1.493) 3.399 8.770 ( 2.103 2.065 -4.964) 5.773 9.355 ( -7.191 -7.585 -3.144) 10.914 ======================= Grid point 102 (39/225) ======================= q-point: ( 0.33 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 24.261 11.568 0.532) 26.883 2.585 ( 22.007 10.849 13.285) 27.901 3.436 ( -5.186 -7.016 8.855) 12.431 3.665 ( -11.193 -12.568 3.165) 17.125 3.849 ( 23.308 22.495 3.900) 32.627 4.480 ( 0.117 5.942 -2.974) 6.646 4.759 ( -1.663 0.671 9.113) 9.288 4.811 ( 0.948 1.665 12.962) 13.103 5.069 ( -6.170 -9.391 0.676) 11.257 5.272 ( 2.458 0.725 12.231) 12.496 5.421 ( -4.094 -1.700 8.879) 9.924 5.561 ( -9.329 -4.648 8.829) 13.660 7.762 ( 2.688 0.153 0.222) 2.702 8.038 ( -3.316 -0.848 -0.794) 3.514 8.265 ( 5.585 4.267 -1.042) 7.105 8.461 ( 0.567 1.068 -1.816) 2.182 8.824 ( 3.287 -2.623 -3.848) 5.700 9.195 ( -8.093 -8.324 -2.538) 11.884 ======================= Grid point 103 (40/225) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 22.685 5.007 0.131) 23.231 3.016 ( 19.542 5.002 11.366) 23.154 3.218 ( -16.212 -0.027 3.360) 16.556 3.376 ( -15.771 -3.030 8.180) 18.023 4.252 ( 14.712 10.861 -2.502) 18.457 4.448 ( -4.702 6.828 -4.894) 9.627 4.760 ( 2.018 -1.019 10.951) 11.182 4.827 ( -2.556 1.252 14.535) 14.810 5.038 ( 6.921 -5.868 1.859) 9.262 5.265 ( -11.448 -0.442 3.879) 12.095 5.330 ( 2.829 -0.714 12.911) 13.236 5.404 ( -4.756 -2.235 13.691) 14.665 7.839 ( 4.703 -0.983 -0.025) 4.805 7.944 ( -5.221 -1.225 -0.428) 5.380 8.375 ( 4.608 3.281 -1.614) 5.882 8.445 ( -2.150 2.322 -1.917) 3.700 8.910 ( 5.148 -5.987 -2.757) 8.363 9.036 ( -7.110 -7.931 -2.299) 10.896 ======================= Grid point 108 (41/225) ======================= q-point: ( 0.00 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 24.514 21.399) 32.540 2.338 ( 0.000 29.918 8.886) 31.210 2.923 ( 0.000 -25.060 12.094) 27.825 3.243 ( 0.000 8.286 6.210) 10.355 3.714 ( 0.000 9.821 3.284) 10.356 4.509 ( 0.000 -5.973 2.445) 6.454 4.897 ( 0.000 2.520 12.234) 12.491 4.975 ( 0.000 -1.407 11.562) 11.647 5.189 ( 0.000 1.172 3.068) 3.284 5.243 ( 0.000 -4.553 -4.112) 6.134 5.455 ( 0.000 -3.787 7.157) 8.097 5.667 ( 0.000 -10.046 17.315) 20.018 7.841 ( 0.000 6.868 -0.346) 6.876 8.014 ( 0.000 3.515 -0.485) 3.548 8.102 ( 0.000 0.244 0.238) 0.340 8.287 ( 0.000 -4.636 -0.750) 4.696 8.935 ( 0.000 11.328 -4.852) 12.324 9.367 ( 0.000 -8.865 -4.514) 9.948 ======================= Grid point 109 (42/225) ======================= q-point: ( 0.11 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 10.547 23.735 17.440) 31.285 2.366 ( 3.731 27.947 9.360) 29.708 2.981 ( 5.354 -23.510 11.843) 26.864 3.314 ( 5.099 -5.002 5.793) 9.197 3.783 ( 7.430 19.433 3.531) 21.102 4.524 ( 1.286 -3.697 1.672) 4.256 4.886 ( -1.071 2.293 11.918) 12.184 4.940 ( -3.159 -0.262 10.224) 10.704 5.172 ( -2.830 -2.660 -0.572) 3.926 5.237 ( 0.405 -1.048 2.427) 2.675 5.435 ( -1.585 -4.106 7.991) 9.123 5.629 ( -3.406 -9.769 15.612) 18.729 7.835 ( -0.743 6.625 -0.287) 6.673 8.023 ( 0.804 1.352 -0.531) 1.661 8.157 ( 4.564 0.839 -0.142) 4.642 8.307 ( 2.245 -3.894 -0.786) 4.562 8.911 ( -2.295 9.917 -4.674) 11.201 9.317 ( -4.753 -8.933 -4.228) 10.966 ======================= Grid point 110 (43/225) ======================= q-point: ( 0.22 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 15.461 21.773 8.385) 27.990 2.525 ( 11.877 20.644 11.859) 26.606 3.119 ( 7.433 -19.029 11.359) 23.375 3.387 ( 1.624 -18.620 4.471) 19.219 4.016 ( 13.812 26.466 2.823) 29.986 4.557 ( 2.180 1.177 0.350) 2.503 4.851 ( -2.673 1.187 9.633) 10.067 4.861 ( -3.861 1.343 9.180) 10.049 5.071 ( -6.378 -3.265 -0.298) 7.171 5.261 ( 1.501 0.324 8.783) 8.916 5.402 ( -1.536 -4.720 8.692) 10.009 5.544 ( -4.567 -8.966 12.509) 16.054 7.812 ( -1.174 5.672 -0.061) 5.793 8.031 ( -0.582 -2.818 -0.659) 2.952 8.255 ( 4.874 3.531 -0.620) 6.051 8.384 ( 4.779 -2.642 -1.070) 5.565 8.850 ( -3.302 5.943 -4.152) 7.966 9.184 ( -7.866 -9.069 -3.473) 12.497 ======================= Grid point 111 (44/225) ======================= q-point: ( 0.33 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 16.685 16.404 2.340) 23.515 2.821 ( 15.617 12.388 13.116) 23.861 3.250 ( 4.235 -11.654 11.351) 16.811 3.372 ( -3.445 -15.458 2.842) 16.090 4.273 ( 10.114 17.629 -0.703) 20.336 4.618 ( 2.397 5.377 -1.217) 6.011 4.769 ( -4.053 0.025 5.280) 6.656 4.829 ( 0.868 -2.954 6.456) 7.153 4.940 ( -4.850 2.270 7.482) 9.201 5.290 ( 1.312 0.058 11.494) 11.568 5.364 ( -2.588 -3.953 8.560) 9.778 5.445 ( -5.025 -6.043 11.630) 14.037 7.803 ( 0.573 3.734 0.103) 3.779 7.990 ( -3.181 -3.676 -0.517) 4.889 8.359 ( 4.967 4.526 -1.061) 6.803 8.469 ( 2.904 -0.542 -1.446) 3.289 8.792 ( -1.942 0.243 -3.306) 3.842 9.014 ( -8.176 -8.994 -2.575) 12.425 ======================= Grid point 112 (45/225) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 15.312 7.985 1.367) 17.323 3.114 ( 11.816 4.476 12.077) 17.479 3.211 ( -9.589 -1.219 3.927) 10.434 3.281 ( -4.280 -6.018 9.563) 12.083 4.444 ( 7.405 8.232 -3.876) 11.731 4.583 ( -5.471 5.725 -3.826) 8.795 4.718 ( 0.295 -3.317 4.938) 5.956 4.776 ( -4.627 -6.105 4.442) 8.855 5.039 ( 11.088 6.006 10.490) 16.403 5.252 ( -8.340 -1.584 6.395) 10.628 5.323 ( 1.382 0.110 13.725) 13.795 5.362 ( -2.608 -1.762 14.116) 14.462 7.840 ( 2.910 1.054 0.019) 3.095 7.914 ( -3.995 -1.732 -0.237) 4.361 8.447 ( 3.426 3.604 -1.489) 5.191 8.491 ( -0.720 2.057 -1.675) 2.749 8.788 ( 1.846 -5.188 -2.355) 5.989 8.867 ( -5.754 -8.044 -2.054) 10.101 ======================= Grid point 117 (46/225) ======================= q-point: ( 0.00 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 0.000 -25.798 15.503) 30.098 2.398 ( 0.000 25.798 15.503) 30.098 2.910 ( 0.000 -25.502 6.745) 26.379 2.910 ( 0.000 25.502 6.745) 26.379 4.221 ( 0.000 -23.538 3.746) 23.834 4.221 ( 0.000 23.538 3.746) 23.834 4.941 ( 0.000 -1.926 12.002) 12.156 4.941 ( 0.000 1.926 12.002) 12.156 5.178 ( 0.000 -0.960 -3.651) 3.776 5.178 ( 0.000 0.960 -3.651) 3.776 5.501 ( 0.000 -6.303 14.178) 15.516 5.501 ( 0.000 6.303 14.178) 15.516 7.968 ( 0.000 -5.344 -0.386) 5.358 7.968 ( 0.000 5.344 -0.386) 5.358 8.184 ( 0.000 -5.400 -0.263) 5.407 8.184 ( 0.000 5.400 -0.263) 5.407 9.165 ( 0.000 -10.985 -4.791) 11.985 9.165 ( 0.000 10.985 -4.791) 11.985 ======================= Grid point 119 (47/225) ======================= q-point: ( 0.11 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 8.401 -24.368 14.286) 29.470 2.489 ( 8.401 24.368 14.286) 29.470 2.913 ( 0.792 -25.199 6.627) 26.068 2.913 ( 0.792 25.199 6.627) 26.068 4.295 ( 6.508 -20.531 3.172) 21.770 4.295 ( 6.508 20.531 3.172) 21.770 4.924 ( -1.696 -1.379 11.364) 11.572 4.924 ( -1.696 1.379 11.364) 11.572 5.163 ( -1.377 -3.301 -2.842) 4.568 5.163 ( -1.377 3.301 -2.842) 4.568 5.470 ( -2.658 -5.837 14.368) 15.734 5.470 ( -2.658 5.837 14.368) 15.734 7.964 ( -0.696 -5.591 -0.471) 5.653 7.964 ( -0.696 5.591 -0.471) 5.653 8.222 ( 3.726 -4.309 -0.359) 5.708 8.222 ( 3.726 4.309 -0.359) 5.708 9.120 ( -4.257 -10.373 -4.518) 12.089 9.120 ( -4.257 10.373 -4.518) 12.089 ======================= Grid point 121 (48/225) ======================= q-point: ( 0.22 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 12.335 -20.975 11.024) 26.714 2.711 ( 12.335 20.975 11.024) 26.714 2.962 ( 4.265 -21.953 6.960) 23.421 2.962 ( 4.265 21.953 6.960) 23.421 4.445 ( 7.026 -13.788 1.180) 15.520 4.445 ( 7.026 13.788 1.180) 15.520 4.870 ( -3.585 -0.577 8.931) 9.641 4.870 ( -3.585 0.577 8.931) 9.641 5.134 ( -0.958 -9.042 0.644) 9.115 5.134 ( -0.958 9.042 0.644) 9.115 5.410 ( -2.894 -4.423 14.470) 15.405 5.410 ( -2.894 4.423 14.470) 15.405 7.936 ( -1.873 -6.014 -0.395) 6.312 7.936 ( -1.873 6.014 -0.395) 6.312 8.324 ( 5.696 -3.208 -0.768) 6.582 8.324 ( 5.696 3.208 -0.768) 6.582 9.001 ( -6.921 -8.637 -3.776) 11.694 9.001 ( -6.921 8.637 -3.776) 11.694 ======================= Grid point 123 (49/225) ======================= q-point: ( 0.33 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 10.500 -16.922 6.235) 20.868 2.955 ( 10.500 16.922 6.235) 20.868 3.080 ( 6.562 -13.312 9.096) 17.407 3.080 ( 6.562 13.312 9.096) 17.407 4.552 ( 3.300 -10.329 -1.311) 10.922 4.552 ( 3.300 10.329 -1.311) 10.922 4.779 ( -5.142 -1.315 4.778) 7.141 4.779 ( -5.142 1.315 4.778) 7.141 5.140 ( 1.575 -12.578 6.050) 14.046 5.140 ( 1.575 12.578 6.050) 14.046 5.360 ( -1.837 -2.635 14.311) 14.667 5.360 ( -1.837 2.635 14.311) 14.667 7.898 ( -1.643 -5.131 -0.204) 5.391 7.898 ( -1.643 5.131 -0.204) 5.391 8.434 ( 4.658 -2.839 -1.213) 5.589 8.434 ( 4.658 2.839 -1.213) 5.589 8.856 ( -6.713 -6.017 -2.809) 9.442 8.856 ( -6.713 6.017 -2.809) 9.442 ======================= Grid point 125 (50/225) ======================= q-point: ( 0.44 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 4.283 -8.111 2.645) 9.546 3.112 ( 4.283 8.111 2.645) 9.546 3.191 ( 3.202 -3.115 11.325) 12.174 3.191 ( 3.202 3.115 11.325) 12.174 4.602 ( 2.320 -7.515 -1.542) 8.015 4.602 ( 2.320 7.515 -1.542) 8.015 4.675 ( -4.434 -3.905 1.104) 6.011 4.675 ( -4.434 3.905 1.104) 6.011 5.177 ( 1.359 -5.934 8.870) 10.758 5.177 ( 1.359 5.934 8.870) 10.758 5.335 ( -0.671 -0.991 14.218) 14.268 5.335 ( -0.671 0.991 14.218) 14.268 7.874 ( -0.580 -2.066 -0.094) 2.148 7.874 ( -0.580 2.066 -0.094) 2.148 8.504 ( 1.939 -1.413 -1.506) 2.833 8.504 ( 1.939 1.413 -1.506) 2.833 8.750 ( -3.034 -2.415 -2.042) 4.383 8.750 ( -3.034 2.415 -2.042) 4.383 ======================= Grid point 162 (51/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 0.000 25.580) 25.580 1.397 ( 0.000 0.000 33.466) 33.466 2.009 ( 0.000 0.000 47.739) 47.739 4.199 ( 0.000 0.000 13.623) 13.623 4.312 ( 0.000 0.000 2.866) 2.866 4.546 ( 0.000 0.000 -0.629) 0.629 4.935 ( 0.000 0.000 13.087) 13.087 5.232 ( 0.000 0.000 19.968) 19.968 5.253 ( 0.000 0.000 13.991) 13.991 5.586 ( 0.000 0.000 3.181) 3.181 5.814 ( 0.000 0.000 3.735) 3.735 7.568 ( 0.000 0.000 0.157) 0.157 7.613 ( 0.000 0.000 -1.588) 1.588 7.743 ( 0.000 0.000 -1.795) 1.795 7.845 ( 0.000 0.000 -1.033) 1.033 8.165 ( 0.000 0.000 3.110) 3.110 8.371 ( 0.000 0.000 -3.544) 3.544 9.564 ( 0.000 0.000 -5.607) 5.607 ======================= Grid point 163 (52/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 20.396 0.000 19.850) 28.461 1.367 ( 4.664 0.000 28.109) 28.494 2.389 ( 29.004 0.000 40.729) 50.000 4.163 ( -3.644 0.000 12.714) 13.226 4.339 ( 2.201 0.000 3.526) 4.157 4.476 ( -6.942 0.000 -0.977) 7.010 4.950 ( 1.264 0.000 13.508) 13.567 5.139 ( -4.800 0.000 15.681) 16.399 5.334 ( 3.985 0.000 17.162) 17.619 5.585 ( -0.258 0.000 4.188) 4.196 5.767 ( -4.209 0.000 4.610) 6.242 6.904 ( -32.806 0.000 17.570) 37.215 7.711 ( 5.607 0.000 -0.709) 5.651 7.849 ( 0.342 0.000 -0.812) 0.881 8.023 ( 4.891 0.000 -5.372) 7.265 8.336 ( 14.332 0.000 -5.211) 15.250 8.368 ( -0.199 0.000 -3.649) 3.655 9.532 ( -3.015 0.000 -5.453) 6.231 ======================= Grid point 164 (53/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 23.349 0.000 12.537) 26.502 1.793 ( 27.212 0.000 12.008) 29.743 3.020 ( 30.542 0.000 31.101) 43.590 4.036 ( -9.208 0.000 11.437) 14.683 4.265 ( -13.261 0.000 -0.517) 13.271 4.387 ( 2.090 0.000 3.594) 4.157 4.982 ( 1.837 0.000 14.763) 14.877 5.063 ( -2.197 0.000 13.847) 14.020 5.408 ( 3.010 0.000 16.441) 16.714 5.567 ( -1.389 0.000 7.346) 7.476 5.655 ( -6.510 0.000 5.331) 8.414 6.354 ( -21.075 0.000 21.941) 30.424 7.838 ( 5.650 0.000 -1.949) 5.977 7.858 ( 0.548 0.000 -0.382) 0.668 8.082 ( 2.840 0.000 -2.152) 3.563 8.364 ( -0.232 0.000 -3.900) 3.907 8.586 ( 10.051 0.000 -7.652) 12.633 9.443 ( -5.581 0.000 -5.049) 7.526 ======================= Grid point 165 (54/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 29.090 0.000 3.876) 29.347 2.361 ( 27.509 0.000 6.505) 28.268 3.558 ( 17.263 0.000 17.082) 24.286 3.773 ( -16.385 0.000 9.108) 18.747 3.977 ( -10.607 0.000 4.834) 11.657 4.407 ( -0.621 0.000 3.593) 3.646 5.029 ( 3.009 0.000 16.600) 16.871 5.062 ( 2.147 0.000 13.373) 13.545 5.413 ( -3.793 0.000 11.613) 12.217 5.503 ( -8.308 0.000 5.058) 9.726 5.568 ( 2.866 0.000 15.274) 15.540 6.014 ( -12.738 0.000 21.490) 24.981 7.873 ( 0.931 0.000 -0.297) 0.977 7.912 ( 1.543 0.000 -2.424) 2.873 8.164 ( 4.942 0.000 -2.003) 5.332 8.355 ( -0.762 0.000 -4.046) 4.117 8.775 ( 8.908 0.000 -6.137) 10.818 9.308 ( -7.471 0.000 -4.593) 8.770 ======================= Grid point 166 (55/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 26.444 0.000 1.793) 26.505 2.896 ( 23.438 0.000 2.019) 23.525 3.378 ( -20.886 0.000 6.795) 21.963 3.424 ( -19.652 0.000 2.713) 19.838 4.123 ( 14.335 0.000 11.865) 18.609 4.340 ( -6.496 0.000 5.636) 8.601 5.114 ( 5.205 0.000 19.805) 20.477 5.141 ( 4.690 0.000 16.574) 17.225 5.291 ( -6.134 0.000 8.478) 10.464 5.329 ( -7.935 0.000 4.318) 9.033 5.665 ( 5.918 0.000 18.463) 19.388 5.806 ( -8.075 0.000 20.153) 21.710 7.896 ( 1.206 0.000 -0.836) 1.467 7.917 ( -0.644 0.000 -1.720) 1.837 8.261 ( 4.115 0.000 -3.017) 5.103 8.326 ( -2.216 0.000 -3.790) 4.390 8.959 ( 9.033 0.000 -4.894) 10.273 9.142 ( -8.640 0.000 -4.422) 9.705 ======================= Grid point 171 (56/225) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 32.532 18.633) 37.490 1.597 ( 0.000 18.203 28.671) 33.962 2.153 ( 0.000 16.901 42.966) 46.170 4.017 ( 0.000 -15.335 13.041) 20.130 4.232 ( 0.000 -7.978 2.836) 8.467 4.575 ( 0.000 1.646 1.290) 2.091 5.015 ( 0.000 6.304 13.583) 14.975 5.254 ( 0.000 2.187 18.653) 18.780 5.255 ( 0.000 0.158 13.311) 13.312 5.510 ( 0.000 -6.709 4.279) 7.957 5.781 ( 0.000 -3.235 4.519) 5.558 6.952 ( 0.000 -36.950 18.902) 41.504 7.603 ( 0.000 3.413 0.031) 3.413 7.711 ( 0.000 6.432 -0.511) 6.453 8.144 ( 0.000 0.867 1.214) 1.491 8.334 ( 0.000 15.301 -8.666) 17.585 8.362 ( 0.000 -0.950 -3.257) 3.393 9.524 ( 0.000 -3.900 -6.015) 7.168 ======================= Grid point 172 (57/225) ======================= q-point: ( 0.11 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.531 17.614 25.221) 30.767 1.676 ( 14.621 25.978 17.396) 34.515 2.538 ( 28.610 15.945 35.901) 48.597 4.008 ( -1.209 -13.314 12.823) 18.525 4.237 ( 0.228 -9.456 3.415) 10.056 4.516 ( -5.538 2.766 0.643) 6.224 5.013 ( -0.270 5.031 13.281) 14.204 5.146 ( -5.095 0.656 14.736) 15.606 5.347 ( 3.866 1.064 16.065) 16.558 5.507 ( -0.449 -6.589 5.694) 8.720 5.749 ( -2.819 -2.024 5.467) 6.476 6.655 ( -21.005 -20.044 21.718) 36.258 7.685 ( 3.813 -2.403 -0.255) 4.515 7.787 ( 6.624 4.422 -0.944) 8.020 8.151 ( -0.361 3.316 -0.817) 3.434 8.359 ( 0.949 -0.444 -3.287) 3.450 8.434 ( 7.531 7.623 -8.442) 13.642 9.490 ( -3.189 -4.093 -5.791) 7.775 ======================= Grid point 173 (58/225) ======================= q-point: ( 0.22 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 19.592 9.260 13.290) 25.421 2.070 ( 22.529 19.894 12.214) 32.442 3.150 ( 29.114 13.151 26.985) 41.819 3.940 ( -6.140 -8.235 11.154) 15.163 4.196 ( -6.668 -9.699 5.944) 13.186 4.396 ( -3.648 3.378 -0.678) 5.017 4.998 ( -1.051 1.047 12.462) 12.550 5.070 ( -1.778 0.657 13.790) 13.920 5.395 ( -0.325 -3.235 11.876) 12.313 5.500 ( 0.872 -2.726 12.502) 12.825 5.675 ( -4.369 0.505 6.804) 8.102 6.258 ( -16.713 -8.332 22.140) 28.964 7.746 ( 2.524 -3.502 -0.067) 4.317 7.929 ( 6.178 3.942 -1.698) 7.522 8.133 ( -0.546 3.017 -1.559) 3.440 8.375 ( 0.498 0.799 -3.565) 3.687 8.602 ( 8.070 1.429 -7.698) 11.244 9.397 ( -5.784 -4.509 -5.207) 8.994 ======================= Grid point 174 (59/225) ======================= q-point: ( 0.33 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 27.029 3.168 4.599) 27.600 2.560 ( 24.659 14.446 8.396) 29.787 3.599 ( 2.395 2.614 9.351) 10.000 3.797 ( -0.085 3.946 14.035) 14.580 3.969 ( -10.144 -2.486 8.393) 13.399 4.377 ( -0.180 -1.126 0.498) 1.244 5.000 ( 1.732 -2.342 12.741) 13.070 5.075 ( 2.300 0.323 13.614) 13.811 5.324 ( -5.607 -6.860 9.623) 13.081 5.540 ( -2.525 2.632 12.919) 13.424 5.578 ( -0.606 0.614 12.802) 12.831 5.974 ( -11.132 -3.551 21.494) 24.465 7.800 ( 2.894 -3.242 -0.028) 4.346 7.985 ( -0.892 3.243 -2.114) 3.972 8.176 ( 4.717 1.507 -1.883) 5.297 8.375 ( -0.600 1.645 -3.894) 4.270 8.763 ( 7.826 -1.275 -6.084) 9.995 9.260 ( -7.456 -4.734 -4.561) 9.940 ======================= Grid point 175 (60/225) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 26.024 -0.025 1.349) 26.059 3.046 ( 19.753 10.380 4.897) 22.846 3.306 ( -17.725 -2.753 4.386) 18.466 3.539 ( -20.071 6.378 8.368) 22.662 4.153 ( 12.983 2.847 8.732) 15.904 4.334 ( -4.847 0.039 2.798) 5.597 5.070 ( 4.955 -3.727 14.139) 15.439 5.171 ( 3.994 2.197 20.742) 21.237 5.201 ( -2.793 -6.747 3.962) 8.308 5.372 ( -9.955 2.535 9.792) 14.192 5.663 ( 5.386 -0.081 19.143) 19.887 5.790 ( -7.245 -1.428 20.547) 21.833 7.865 ( 3.463 -1.731 -0.529) 3.908 7.936 ( -3.237 0.580 -1.347) 3.554 8.276 ( 4.375 1.664 -3.026) 5.574 8.346 ( -2.367 1.757 -3.739) 4.762 8.928 ( 8.228 -3.125 -4.788) 10.019 9.098 ( -8.226 -4.329 -4.296) 10.240 ======================= Grid point 180 (61/225) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.000 18.251 26.608) 32.266 2.055 ( 0.000 25.440 20.986) 32.978 2.781 ( 0.000 40.516 22.176) 46.188 3.650 ( 0.000 -20.117 14.495) 24.795 3.999 ( 0.000 -14.431 4.169) 15.021 4.601 ( 0.000 0.926 3.277) 3.405 5.129 ( 0.000 4.245 15.071) 15.658 5.252 ( 0.000 -0.986 9.148) 9.201 5.307 ( 0.000 1.786 13.312) 13.431 5.360 ( 0.000 -6.847 8.283) 10.747 5.696 ( 0.000 -4.034 8.483) 9.394 6.379 ( 0.000 -20.826 22.407) 30.591 7.701 ( 0.000 5.977 -0.242) 5.982 7.868 ( 0.000 8.088 -0.683) 8.116 8.138 ( 0.000 -1.121 1.265) 1.690 8.329 ( 0.000 -2.407 -2.485) 3.459 8.581 ( 0.000 10.769 -8.446) 13.686 9.411 ( 0.000 -7.096 -7.011) 9.975 ======================= Grid point 181 (62/225) ======================= q-point: ( 0.11 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -1.915 23.065 21.685) 31.716 2.180 ( 10.515 22.511 19.440) 31.547 3.054 ( 21.913 32.648 21.656) 44.889 3.679 ( 2.548 -18.537 14.672) 23.778 3.984 ( -1.617 -14.702 4.243) 15.387 4.568 ( -3.054 2.306 2.694) 4.680 5.100 ( -2.831 2.468 12.052) 12.624 5.161 ( -5.789 0.577 11.192) 12.614 5.312 ( -0.736 -5.599 7.824) 9.649 5.423 ( 4.364 -0.276 14.699) 15.335 5.687 ( -0.838 -3.358 9.063) 9.701 6.273 ( -8.967 -16.207 22.286) 28.979 7.715 ( 0.937 4.334 -0.108) 4.436 7.912 ( 4.095 6.618 -0.931) 7.838 8.169 ( 1.768 -0.629 0.183) 1.885 8.336 ( 1.229 -1.881 -2.427) 3.307 8.597 ( 1.484 8.435 -8.270) 11.905 9.373 ( -3.659 -7.374 -6.610) 10.557 ======================= Grid point 182 (63/225) ======================= q-point: ( 0.22 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 12.046 19.951 12.589) 26.488 2.470 ( 17.178 18.706 16.029) 30.032 3.531 ( 21.573 20.923 16.486) 34.277 3.732 ( 2.039 -11.497 14.558) 18.662 3.924 ( -4.077 -14.383 5.526) 15.938 4.494 ( -3.532 5.676 1.374) 6.825 5.011 ( -4.999 -0.066 8.804) 10.125 5.063 ( -3.598 -2.384 7.762) 8.881 5.279 ( -2.399 -4.876 12.713) 13.825 5.509 ( 3.938 1.178 16.871) 17.365 5.660 ( -2.011 -1.602 10.131) 10.453 6.070 ( -9.894 -9.405 21.680) 25.620 7.733 ( 1.050 2.043 0.326) 2.320 8.007 ( 3.885 2.921 -1.666) 5.138 8.181 ( 0.313 2.231 -0.898) 2.425 8.382 ( 2.399 -0.435 -2.721) 3.654 8.644 ( 3.171 3.007 -7.448) 8.636 9.268 ( -6.308 -7.976 -5.588) 11.603 ======================= Grid point 183 (64/225) ======================= q-point: ( 0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 20.853 12.538 5.423) 24.930 2.858 ( 20.052 14.173 13.421) 27.983 3.596 ( -11.419 -3.024 5.402) 12.989 3.810 ( -4.450 -12.874 12.360) 18.393 3.992 ( 14.695 14.121 10.847) 23.087 4.437 ( -2.198 7.083 -1.493) 7.565 4.941 ( -1.346 -3.735 7.994) 8.925 5.024 ( 0.562 -6.122 4.292) 7.498 5.220 ( -2.884 -1.516 18.550) 18.834 5.576 ( -1.189 -1.195 12.318) 12.432 5.598 ( -0.611 2.967 17.401) 17.662 5.888 ( -7.664 -4.650 21.623) 23.407 7.768 ( 2.559 0.224 0.453) 2.609 8.014 ( -2.847 -0.393 -1.605) 3.292 8.236 ( 4.693 4.306 -1.780) 6.614 8.410 ( 0.212 1.578 -3.389) 3.745 8.726 ( 4.766 -2.124 -5.837) 7.830 9.125 ( -7.403 -8.281 -4.469) 11.973 ======================= Grid point 184 (65/225) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 22.264 5.928 2.236) 23.148 3.247 ( -0.445 7.043 5.595) 9.006 3.289 ( 0.430 2.307 9.551) 9.835 3.618 ( -13.919 0.414 14.809) 20.328 4.235 ( 9.002 5.521 0.952) 10.603 4.375 ( -4.679 4.501 -2.343) 6.902 4.963 ( 3.254 -6.977 8.253) 11.286 5.036 ( -2.252 -8.925 4.601) 10.291 5.236 ( 6.715 4.191 20.029) 21.537 5.426 ( -9.641 2.686 13.396) 16.722 5.666 ( 3.980 0.499 20.595) 20.982 5.758 ( -5.144 -1.557 21.470) 22.132 7.839 ( 4.193 -0.751 -0.008) 4.260 7.932 ( -4.628 -0.866 -0.812) 4.778 8.330 ( 3.958 3.490 -2.856) 6.000 8.391 ( -1.971 2.634 -3.452) 4.769 8.837 ( 6.098 -5.533 -4.413) 9.342 8.974 ( -7.136 -7.579 -3.928) 11.126 ======================= Grid point 189 (66/225) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 0.000 18.748 25.616) 31.744 2.578 ( 0.000 25.465 15.085) 29.598 3.227 ( 0.000 -21.200 17.754) 27.652 3.427 ( 0.000 3.514 12.510) 12.994 3.820 ( 0.000 14.333 7.835) 16.335 4.590 ( 0.000 -3.700 5.848) 6.920 5.174 ( 0.000 -1.134 7.585) 7.669 5.181 ( 0.000 -5.116 -2.020) 5.500 5.263 ( 0.000 -4.008 12.365) 12.999 5.283 ( 0.000 -1.414 18.612) 18.666 5.693 ( 0.000 4.345 16.326) 16.894 6.050 ( 0.000 -12.853 20.629) 24.306 7.833 ( 0.000 6.761 -0.465) 6.777 8.000 ( 0.000 3.333 -1.029) 3.488 8.111 ( 0.000 -0.174 0.797) 0.816 8.265 ( 0.000 -3.893 -1.503) 4.173 8.804 ( 0.000 11.360 -8.304) 14.071 9.243 ( 0.000 -9.476 -7.994) 12.398 ======================= Grid point 190 (67/225) ======================= q-point: ( 0.11 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 1.879 22.261 20.386) 30.243 2.627 ( 5.943 22.399 16.525) 28.463 3.277 ( 4.632 -20.542 17.172) 27.171 3.482 ( 3.528 -9.280 11.240) 14.997 3.899 ( 7.988 22.588 8.609) 25.458 4.591 ( 0.100 -1.488 5.212) 5.421 5.079 ( -6.008 -3.529 1.504) 7.128 5.151 ( -4.999 -2.349 5.090) 7.511 5.248 ( 0.507 0.015 16.866) 16.873 5.365 ( 4.727 -5.826 12.837) 14.869 5.684 ( -0.742 3.866 16.955) 17.406 6.000 ( -4.362 -11.172 20.858) 24.060 7.828 ( -0.555 6.368 -0.377) 6.403 8.007 ( 0.655 1.295 -1.066) 1.801 8.156 ( 3.738 0.659 0.073) 3.797 8.284 ( 2.114 -3.225 -1.541) 4.153 8.784 ( -1.801 10.118 -7.964) 13.002 9.200 ( -3.984 -9.495 -7.457) 12.713 ======================= Grid point 191 (68/225) ======================= q-point: ( 0.22 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 7.381 23.401 11.804) 27.229 2.828 ( 12.934 17.101 17.267) 27.530 3.397 ( 6.327 -19.028 15.257) 25.197 3.520 ( 0.015 -16.597 9.279) 19.015 4.115 ( 11.182 23.629 7.612) 27.227 4.601 ( 1.188 3.275 4.329) 5.556 4.941 ( -7.237 -4.699 -0.435) 8.640 5.026 ( -6.574 -1.277 4.678) 8.169 5.248 ( -0.385 1.043 18.708) 18.741 5.458 ( 4.072 -6.721 12.656) 14.897 5.669 ( -0.708 3.149 18.431) 18.712 5.895 ( -5.314 -7.679 21.353) 23.306 7.811 ( -0.849 5.258 -0.009) 5.326 8.013 ( -0.588 -2.457 -1.220) 2.806 8.239 ( 4.252 3.327 -0.976) 5.487 8.354 ( 4.258 -2.139 -1.956) 5.151 8.738 ( -2.348 6.490 -6.970) 9.809 9.088 ( -6.631 -9.468 -6.057) 13.050 ======================= Grid point 192 (69/225) ======================= q-point: ( 0.33 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 13.393 17.780 6.165) 23.098 3.123 ( 14.982 12.010 16.368) 25.232 3.451 ( -4.688 -14.883 5.217) 16.453 3.533 ( 3.749 -9.866 16.069) 19.225 4.294 ( 5.910 14.404 3.343) 15.924 4.618 ( -1.676 8.949 0.641) 9.127 4.804 ( -4.675 -8.889 -0.140) 10.044 4.916 ( -3.481 -3.886 3.654) 6.370 5.252 ( 1.596 4.103 20.527) 20.994 5.512 ( 0.557 -5.267 12.857) 13.906 5.659 ( 0.108 3.080 20.688) 20.916 5.798 ( -4.044 -4.080 22.062) 22.797 7.807 ( 0.628 3.396 0.258) 3.464 7.976 ( -2.839 -3.237 -0.958) 4.411 8.329 ( 4.329 4.362 -1.861) 6.421 8.429 ( 2.455 -0.058 -2.614) 3.586 8.704 ( -0.608 0.845 -5.406) 5.505 8.944 ( -7.089 -9.096 -4.434) 12.355 ======================= Grid point 193 (70/225) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 14.866 9.314 3.588) 17.906 3.273 ( -11.521 -1.194 3.526) 12.108 3.408 ( 11.434 4.976 16.456) 20.647 3.559 ( -2.645 -4.856 16.633) 17.528 4.386 ( 4.287 9.082 -1.772) 10.198 4.505 ( -7.133 7.798 -4.199) 11.372 4.790 ( 2.357 -9.789 2.870) 10.469 4.857 ( -3.292 -8.751 3.682) 10.049 5.337 ( 6.276 5.478 18.872) 20.629 5.464 ( -5.013 0.507 14.991) 15.815 5.682 ( 1.922 1.021 22.016) 22.123 5.730 ( -2.707 -1.250 22.385) 22.582 7.841 ( 2.633 0.975 0.085) 2.809 7.907 ( -3.585 -1.507 -0.418) 3.911 8.406 ( 2.952 3.693 -2.617) 5.404 8.445 ( -0.749 2.418 -2.956) 3.892 8.725 ( 2.760 -4.713 -3.851) 6.683 8.812 ( -5.515 -7.783 -3.483) 10.155 ======================= Grid point 198 (71/225) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.000 -19.196 20.224) 27.883 2.767 ( 0.000 19.196 20.224) 27.883 3.104 ( 0.000 -21.260 12.963) 24.900 3.104 ( 0.000 21.260 12.963) 24.900 4.341 ( 0.000 -22.425 8.703) 24.055 4.341 ( 0.000 22.425 8.703) 24.055 5.115 ( 0.000 -0.023 -2.986) 2.986 5.115 ( 0.000 0.023 -2.986) 2.986 5.259 ( 0.000 -1.225 19.493) 19.531 5.259 ( 0.000 1.225 19.493) 19.531 5.833 ( 0.000 -8.871 19.035) 21.001 5.833 ( 0.000 8.871 19.035) 21.001 7.959 ( 0.000 -5.266 -0.577) 5.297 7.959 ( 0.000 5.266 -0.577) 5.297 8.176 ( 0.000 -4.690 -0.527) 4.719 8.176 ( 0.000 4.690 -0.527) 4.719 9.033 ( 0.000 -11.088 -8.412) 13.918 9.033 ( 0.000 11.088 -8.412) 13.918 ======================= Grid point 200 (72/225) ======================= q-point: ( 0.11 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 5.191 -19.721 18.126) 27.284 2.825 ( 5.191 19.721 18.126) 27.284 3.108 ( 1.128 -20.370 13.274) 24.340 3.108 ( 1.128 20.370 13.274) 24.340 4.401 ( 5.057 -19.094 7.819) 21.243 4.401 ( 5.057 19.094 7.819) 21.243 5.068 ( -4.129 -3.562 -1.338) 5.615 5.068 ( -4.129 3.562 -1.338) 5.615 5.275 ( 1.342 -2.476 17.868) 18.088 5.275 ( 1.342 2.476 17.868) 18.088 5.809 ( -2.103 -7.914 19.555) 21.200 5.809 ( -2.103 7.914 19.555) 21.200 7.952 ( -0.774 -5.351 -0.704) 5.452 7.952 ( -0.774 5.351 -0.704) 5.452 8.211 ( 3.380 -3.752 -0.716) 5.101 8.211 ( 3.380 3.752 -0.716) 5.101 8.996 ( -3.512 -10.557 -7.892) 13.641 8.996 ( -3.512 10.557 -7.892) 13.641 ======================= Grid point 202 (73/225) ======================= q-point: ( 0.22 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 6.208 -22.027 11.825) 25.759 2.949 ( 6.208 22.027 11.825) 25.759 3.185 ( 6.660 -15.827 15.428) 23.084 3.185 ( 6.660 15.827 15.428) 23.084 4.505 ( 4.140 -13.324 5.070) 14.845 4.505 ( 4.140 13.324 5.070) 14.845 4.960 ( -6.206 -4.978 -0.327) 7.962 4.960 ( -6.206 4.978 -0.327) 7.962 5.312 ( 2.419 -5.713 17.107) 18.198 5.312 ( 2.419 5.713 17.107) 18.198 5.761 ( -2.278 -5.663 20.740) 21.619 5.761 ( -2.278 5.663 20.740) 21.619 7.926 ( -1.653 -5.555 -0.603) 5.827 7.926 ( -1.653 5.555 -0.603) 5.827 8.303 ( 5.052 -2.874 -1.421) 5.983 8.303 ( 5.052 2.874 -1.421) 5.983 8.899 ( -5.662 -9.009 -6.493) 12.465 8.899 ( -5.662 9.009 -6.493) 12.465 ======================= Grid point 204 (74/225) ======================= q-point: ( 0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 6.167 -19.180 6.546) 21.184 3.076 ( 6.167 19.180 6.546) 21.184 3.351 ( 8.267 -9.727 16.629) 20.963 3.351 ( 8.267 9.727 16.629) 20.963 4.555 ( 1.116 -11.432 1.578) 11.594 4.555 ( 1.116 11.432 1.578) 11.594 4.820 ( -7.222 -6.194 -0.059) 9.514 4.820 ( -7.222 6.194 -0.059) 9.514 5.375 ( 3.458 -7.466 16.936) 18.829 5.375 ( 3.458 7.466 16.936) 18.829 5.724 ( -1.345 -3.336 21.933) 22.226 5.724 ( -1.345 3.336 21.933) 22.226 7.893 ( -1.427 -4.655 -0.307) 4.879 7.893 ( -1.427 4.655 -0.307) 4.879 8.401 ( 4.166 -2.599 -2.177) 5.371 8.401 ( 4.166 2.599 -2.177) 5.371 8.780 ( -5.427 -6.498 -4.725) 9.696 8.780 ( -5.427 6.498 -4.725) 9.696 ======================= Grid point 206 (75/225) ======================= q-point: ( 0.44 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 3.140 -7.974 4.286) 9.582 3.180 ( 3.140 7.974 4.286) 9.582 3.479 ( 3.487 -2.906 16.636) 17.244 3.479 ( 3.487 2.906 16.636) 17.244 4.583 ( 2.327 -9.912 -0.301) 10.186 4.583 ( 2.327 9.912 -0.301) 10.186 4.679 ( -5.935 -8.656 -0.481) 10.507 4.679 ( -5.935 8.656 -0.481) 10.507 5.434 ( 1.731 -3.471 16.643) 17.089 5.434 ( 1.731 3.471 16.643) 17.089 5.705 ( -0.450 -1.203 22.670) 22.706 5.705 ( -0.450 1.203 22.670) 22.706 7.872 ( -0.512 -1.864 -0.126) 1.937 7.872 ( -0.512 1.864 -0.126) 1.937 8.463 ( 1.713 -1.317 -2.623) 3.398 8.463 ( 1.713 1.317 -2.623) 3.398 8.695 ( -2.414 -2.650 -3.409) 4.947 8.695 ( -2.414 2.650 -3.409) 4.947 ======================= Grid point 243 (76/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 0.000 23.276) 23.276 2.013 ( 0.000 0.000 29.245) 29.245 2.886 ( 0.000 0.000 41.637) 41.637 4.380 ( 0.000 0.000 3.897) 3.897 4.485 ( 0.000 0.000 15.102) 15.102 4.533 ( 0.000 0.000 -0.776) 0.776 5.169 ( 0.000 0.000 9.696) 9.696 5.437 ( 0.000 0.000 3.655) 3.655 5.657 ( 0.000 0.000 22.571) 22.571 5.767 ( 0.000 0.000 15.865) 15.865 5.939 ( 0.000 0.000 9.558) 9.558 7.576 ( 0.000 0.000 0.704) 0.704 7.579 ( 0.000 0.000 -1.798) 1.798 7.700 ( 0.000 0.000 -2.545) 2.545 7.825 ( 0.000 0.000 -0.969) 0.969 8.233 ( 0.000 0.000 3.786) 3.786 8.289 ( 0.000 0.000 -4.725) 4.725 9.436 ( 0.000 0.000 -7.305) 7.305 ======================= Grid point 244 (77/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 13.709 0.000 20.052) 24.291 1.912 ( -4.704 0.000 26.799) 27.208 3.157 ( 21.477 0.000 37.036) 42.813 4.356 ( -3.072 0.000 5.361) 6.178 4.462 ( -6.739 0.000 -0.465) 6.755 4.490 ( 0.636 0.000 12.883) 12.899 5.187 ( 1.641 0.000 9.571) 9.711 5.356 ( -5.878 0.000 5.317) 7.926 5.711 ( 3.583 0.000 20.760) 21.067 5.781 ( 1.440 0.000 16.235) 16.298 5.905 ( -3.149 0.000 10.281) 10.752 7.158 ( -22.096 0.000 9.491) 24.049 7.692 ( 4.544 0.000 -1.282) 4.721 7.834 ( 0.749 0.000 -0.733) 1.047 7.903 ( 8.569 0.000 -6.111) 10.525 8.284 ( -0.440 0.000 -4.888) 4.908 8.306 ( 6.765 0.000 0.917) 6.827 9.408 ( -2.662 0.000 -7.078) 7.562 ======================= Grid point 245 (78/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 10.484 0.000 16.005) 19.133 2.049 ( 20.902 0.000 13.717) 25.001 3.611 ( 20.180 0.000 27.781) 34.337 4.219 ( -10.916 0.000 6.172) 12.540 4.275 ( -10.428 0.000 1.958) 10.611 4.511 ( 1.200 0.000 9.351) 9.427 5.231 ( 2.499 0.000 9.357) 9.685 5.257 ( -2.940 0.000 6.038) 6.716 5.762 ( 0.853 0.000 19.469) 19.488 5.818 ( -5.185 0.000 12.366) 13.409 5.830 ( 3.511 0.000 18.492) 18.822 6.740 ( -17.886 0.000 17.175) 24.797 7.791 ( 4.411 0.000 -2.751) 5.199 7.851 ( 0.873 0.000 -0.308) 0.926 8.025 ( 4.618 0.000 -3.621) 5.868 8.274 ( -0.499 0.000 -5.230) 5.254 8.475 ( 9.021 0.000 -3.480) 9.669 9.329 ( -5.013 0.000 -6.483) 8.195 ======================= Grid point 246 (79/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 22.529 0.000 4.748) 23.024 2.502 ( 22.540 0.000 7.656) 23.804 3.790 ( -8.019 0.000 5.764) 9.876 3.906 ( -19.143 0.000 3.898) 19.535 4.194 ( 7.445 0.000 16.816) 18.390 4.525 ( -0.148 0.000 8.150) 8.152 5.246 ( 1.714 0.000 6.750) 6.964 5.289 ( 3.182 0.000 8.712) 9.274 5.704 ( -5.535 0.000 16.382) 17.292 5.742 ( -2.696 0.000 20.787) 20.961 5.924 ( 5.535 0.000 19.825) 20.583 6.432 ( -12.415 0.000 20.383) 23.866 7.856 ( 1.906 0.000 -3.176) 3.704 7.867 ( 0.625 0.000 -0.335) 0.710 8.117 ( 4.319 0.000 -2.879) 5.191 8.263 ( -0.676 0.000 -5.321) 5.364 8.665 ( 9.486 0.000 -4.772) 10.618 9.206 ( -6.962 0.000 -5.753) 9.031 ======================= Grid point 247 (80/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 23.599 0.000 -1.522) 23.648 2.932 ( 16.720 0.000 1.297) 16.770 3.479 ( -19.630 0.000 3.473) 19.935 3.490 ( -16.351 0.000 3.770) 16.780 4.385 ( 7.879 0.000 13.822) 15.910 4.495 ( -3.094 0.000 9.361) 9.859 5.306 ( 3.402 0.000 5.893) 6.804 5.342 ( 0.885 0.000 5.684) 5.753 5.622 ( -1.241 0.000 22.987) 23.021 5.665 ( -4.141 0.000 23.610) 23.971 6.054 ( 7.104 0.000 20.548) 21.742 6.217 ( -8.933 0.000 20.992) 22.813 7.877 ( 0.309 0.000 -1.108) 1.151 7.877 ( 0.365 0.000 -2.279) 2.308 8.194 ( 3.068 0.000 -3.819) 4.898 8.241 ( -1.588 0.000 -4.826) 5.081 8.861 ( 9.440 0.000 -4.933) 10.651 9.046 ( -8.509 0.000 -5.179) 9.961 ======================= Grid point 252 (81/225) ======================= q-point: ( 0.00 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.000 27.641 18.104) 33.043 2.149 ( 0.000 12.734 27.062) 29.908 2.975 ( 0.000 9.661 39.942) 41.094 4.268 ( 0.000 -14.721 11.436) 18.641 4.306 ( 0.000 -7.231 4.431) 8.480 4.622 ( 0.000 3.436 4.012) 5.282 5.242 ( 0.000 5.589 8.679) 10.322 5.399 ( 0.000 -3.806 1.993) 4.296 5.658 ( 0.000 0.048 21.784) 21.784 5.738 ( 0.000 -2.254 17.837) 17.979 5.934 ( 0.000 -0.313 11.490) 11.495 7.205 ( 0.000 -25.129 8.519) 26.534 7.608 ( 0.000 3.128 0.510) 3.169 7.698 ( 0.000 6.134 -0.842) 6.192 8.112 ( 0.000 10.435 -5.378) 11.740 8.251 ( 0.000 3.256 0.958) 3.394 8.287 ( 0.000 -0.337 -4.373) 4.386 9.388 ( 0.000 -4.683 -7.717) 9.027 ======================= Grid point 253 (82/225) ======================= q-point: ( 0.11 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 5.081 22.508 19.132) 29.974 2.054 ( -0.322 14.355 22.665) 26.830 3.246 ( 21.149 9.326 35.092) 42.021 4.232 ( -3.529 -10.328 8.345) 13.739 4.335 ( 2.355 -10.422 6.626) 12.572 4.562 ( -5.731 4.171 4.746) 8.530 5.229 ( -1.358 3.019 7.858) 8.527 5.328 ( -5.237 -2.954 3.592) 7.003 5.686 ( 1.622 -2.418 19.641) 19.855 5.769 ( 2.803 -0.338 18.768) 18.979 5.917 ( -1.525 0.898 12.324) 12.450 6.990 ( -16.038 -14.902 13.146) 25.536 7.681 ( 3.668 -1.607 -0.162) 4.008 7.764 ( 6.001 4.408 -1.365) 7.570 8.103 ( -0.806 7.928 -4.319) 9.064 8.288 ( 0.135 0.294 -4.548) 4.559 8.325 ( 6.429 2.524 -1.752) 7.126 9.360 ( -2.690 -4.724 -7.406) 9.187 ======================= Grid point 254 (83/225) ======================= q-point: ( 0.22 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 8.462 9.118 16.590) 20.735 2.304 ( 17.810 19.885 11.799) 29.186 3.679 ( 17.840 6.799 24.928) 31.399 4.113 ( -7.372 -6.349 7.104) 12.047 4.387 ( -5.134 -5.661 12.581) 14.720 4.396 ( -2.819 1.819 0.815) 3.453 5.185 ( -2.122 -2.986 5.930) 6.970 5.251 ( -1.840 -2.719 5.448) 6.360 5.697 ( -0.806 -3.420 19.724) 20.034 5.839 ( 3.344 0.584 17.756) 18.078 5.880 ( -1.507 3.894 16.192) 16.722 6.662 ( -14.798 -7.088 18.481) 24.714 7.744 ( 2.739 -2.279 -0.147) 3.566 7.889 ( 5.031 3.489 -2.365) 6.564 8.091 ( 0.156 4.221 -2.791) 5.063 8.290 ( 0.015 1.445 -5.080) 5.281 8.479 ( 8.110 0.415 -4.376) 9.225 9.280 ( -5.004 -4.771 -6.603) 9.560 ======================= Grid point 255 (84/225) ======================= q-point: ( 0.33 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 20.363 4.365 6.463) 21.806 2.708 ( 20.859 16.545 6.818) 27.483 3.722 ( -13.560 -3.376 3.739) 14.466 4.044 ( -11.251 9.873 7.480) 16.733 4.201 ( 4.395 -0.282 15.374) 15.992 4.445 ( 1.698 -6.256 7.168) 9.665 5.185 ( 2.170 -5.116 6.588) 8.619 5.245 ( 1.251 -5.182 5.944) 7.984 5.658 ( -2.520 -1.698 21.557) 21.771 5.806 ( -4.139 3.329 17.091) 17.898 5.946 ( 5.289 2.284 20.843) 21.625 6.400 ( -10.805 -2.893 21.053) 23.840 7.798 ( 2.644 -2.180 -0.148) 3.430 7.936 ( -0.307 3.177 -2.823) 4.261 8.133 ( 3.672 1.862 -2.491) 4.813 8.285 ( -0.605 1.945 -5.218) 5.601 8.651 ( 8.635 -1.403 -4.986) 10.069 9.158 ( -6.794 -4.622 -5.667) 9.982 ======================= Grid point 256 (85/225) ======================= q-point: ( 0.44 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 23.150 1.182 0.556) 23.187 3.088 ( 8.556 11.341 -0.166) 14.207 3.407 ( -8.172 -0.218 5.498) 9.852 3.672 ( -20.244 11.164 4.716) 23.594 4.359 ( 6.377 -2.978 11.220) 13.244 4.445 ( -2.023 -4.065 7.979) 9.180 5.250 ( 3.281 -5.426 6.502) 9.082 5.280 ( 0.878 -5.798 5.544) 8.070 5.629 ( 0.838 1.131 23.904) 23.945 5.703 ( -5.343 2.981 21.469) 22.324 6.066 ( 6.395 1.211 21.336) 22.307 6.211 ( -7.909 -0.453 21.667) 23.070 7.853 ( 2.673 -0.937 -0.746) 2.929 7.905 ( -2.258 1.055 -1.798) 3.073 8.209 ( 3.291 1.745 -3.755) 5.289 8.261 ( -1.808 1.911 -4.773) 5.450 8.831 ( 8.755 -2.940 -4.872) 10.441 9.005 ( -8.084 -4.046 -5.017) 10.339 ======================= Grid point 261 (86/225) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.000 23.728 16.677) 29.003 2.487 ( 0.000 19.685 22.457) 29.863 3.327 ( 0.000 25.402 31.288) 40.302 3.935 ( 0.000 -17.701 13.796) 22.442 4.102 ( 0.000 -12.313 6.136) 13.757 4.681 ( 0.000 2.784 4.730) 5.489 5.288 ( 0.000 -6.797 -0.187) 6.800 5.316 ( 0.000 -0.136 4.829) 4.831 5.655 ( 0.000 -0.338 21.228) 21.231 5.700 ( 0.000 -1.306 20.398) 20.440 5.948 ( 0.000 2.487 16.193) 16.383 6.753 ( 0.000 -18.918 15.785) 24.638 7.699 ( 0.000 5.631 0.084) 5.632 7.849 ( 0.000 7.750 -1.229) 7.847 8.169 ( 0.000 -1.123 1.703) 2.040 8.270 ( 0.000 -1.385 -3.433) 3.702 8.413 ( 0.000 10.029 -8.288) 13.011 9.255 ( 0.000 -8.216 -8.731) 11.989 ======================= Grid point 262 (87/225) ======================= q-point: ( 0.11 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -7.023 19.441 21.851) 30.079 2.513 ( 7.767 24.814 14.738) 29.888 3.555 ( 17.618 20.749 27.630) 38.786 3.965 ( 2.625 -15.575 13.825) 20.990 4.085 ( -1.526 -13.220 5.997) 14.597 4.644 ( -3.357 4.108 4.951) 7.257 5.224 ( -4.882 -7.124 1.172) 8.715 5.262 ( -5.540 -0.760 3.509) 6.602 5.651 ( 0.521 -0.491 21.932) 21.944 5.757 ( 3.917 -1.525 18.618) 19.086 5.952 ( 0.414 3.196 17.116) 17.417 6.667 ( -7.475 -15.180 17.527) 24.362 7.715 ( 1.231 4.156 0.123) 4.336 7.888 ( 3.493 6.432 -1.577) 7.487 8.173 ( -0.230 0.196 0.005) 0.302 8.282 ( 1.465 -1.009 -2.964) 3.457 8.433 ( 2.037 7.627 -7.880) 11.154 9.225 ( -2.797 -8.288 -8.204) 11.993 ======================= Grid point 263 (88/225) ======================= q-point: ( 0.22 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 3.770 18.424 15.416) 24.317 2.743 ( 14.253 21.781 12.011) 28.668 3.856 ( 4.027 6.136 12.772) 14.731 3.974 ( 0.761 -8.446 10.997) 13.887 4.129 ( 7.895 -8.711 15.987) 19.844 4.551 ( -5.989 8.124 4.234) 10.945 5.125 ( -4.317 -9.172 2.573) 10.459 5.127 ( -5.862 -2.668 2.428) 6.883 5.660 ( -0.095 -0.436 22.470) 22.475 5.832 ( 2.885 -1.645 16.512) 16.843 5.967 ( 1.176 4.778 19.939) 20.537 6.492 ( -8.748 -8.874 20.433) 23.933 7.741 ( 1.436 1.990 0.517) 2.508 7.966 ( 3.026 3.136 -2.611) 5.081 8.161 ( -0.092 2.972 -1.127) 3.180 8.318 ( 1.413 0.821 -3.819) 4.154 8.500 ( 4.547 2.213 -6.605) 8.319 9.144 ( -5.000 -8.368 -6.879) 11.931 ======================= Grid point 264 (89/225) ======================= q-point: ( 0.33 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 15.092 13.224 7.535) 21.434 3.079 ( 17.910 18.650 8.932) 27.356 3.671 ( -14.641 -2.369 3.139) 15.160 4.075 ( 2.582 -12.352 12.702) 17.905 4.247 ( -1.603 9.306 13.258) 16.277 4.426 ( -2.832 5.953 1.338) 6.727 5.047 ( -0.744 -9.286 3.497) 9.950 5.102 ( 1.545 -7.068 5.205) 8.913 5.649 ( -0.467 0.622 23.222) 23.235 5.845 ( -1.977 0.373 16.495) 16.618 6.015 ( 3.566 4.197 22.505) 23.169 6.329 ( -7.010 -3.816 22.429) 23.807 7.779 ( 2.359 0.363 0.630) 2.468 7.974 ( -1.989 0.388 -2.499) 3.218 8.198 ( 3.347 4.408 -2.027) 5.894 8.331 ( -0.127 2.418 -4.593) 5.193 8.612 ( 6.168 -2.147 -5.374) 8.458 9.026 ( -6.338 -8.096 -5.415) 11.620 ======================= Grid point 265 (90/225) ======================= q-point: ( 0.44 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 19.866 7.451 2.509) 21.365 3.278 ( -15.392 5.792 0.253) 16.448 3.510 ( 15.925 10.245 9.616) 21.237 3.887 ( -17.448 7.387 11.048) 21.933 4.276 ( 5.286 -2.232 2.785) 6.378 4.381 ( -3.979 -1.667 3.639) 5.643 5.088 ( 3.469 -10.385 5.625) 12.309 5.133 ( -0.054 -8.410 6.114) 10.398 5.670 ( 3.140 2.855 23.005) 23.393 5.765 ( -5.152 2.864 19.807) 20.665 6.101 ( 4.644 2.147 23.036) 23.597 6.203 ( -5.403 -0.268 23.180) 23.803 7.839 ( 3.387 -0.390 -0.005) 3.409 7.912 ( -3.589 -0.309 -1.204) 3.798 8.267 ( 2.972 3.829 -3.437) 5.942 8.314 ( -1.548 3.165 -4.335) 5.586 8.747 ( 6.865 -5.064 -4.577) 9.681 8.889 ( -6.912 -7.059 -4.532) 10.870 ======================= Grid point 270 (91/225) ======================= q-point: ( 0.00 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.000 17.200 19.395) 25.923 2.904 ( 0.000 20.650 17.719) 27.210 3.572 ( 0.000 -17.639 16.605) 24.225 3.706 ( 0.000 -8.564 14.604) 16.930 4.037 ( 0.000 23.710 14.928) 28.018 4.728 ( 0.000 0.681 7.683) 7.713 5.146 ( 0.000 -6.680 -1.462) 6.838 5.197 ( 0.000 -10.606 0.246) 10.609 5.658 ( 0.000 0.666 22.371) 22.380 5.683 ( 0.000 -0.494 21.401) 21.406 6.045 ( 0.000 6.847 18.645) 19.862 6.436 ( 0.000 -12.976 18.198) 22.351 7.825 ( 0.000 6.544 -0.307) 6.551 7.973 ( 0.000 3.290 -1.785) 3.743 8.135 ( 0.000 -1.133 1.702) 2.044 8.228 ( 0.000 -2.761 -2.176) 3.515 8.624 ( 0.000 10.919 -9.675) 14.588 9.066 ( 0.000 -10.230 -9.726) 14.116 ======================= Grid point 271 (92/225) ======================= q-point: ( 0.11 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -4.018 20.437 18.193) 27.655 2.959 ( 6.032 19.578 16.146) 26.084 3.604 ( 2.797 -17.805 15.333) 23.663 3.728 ( 1.166 -14.500 12.903) 19.445 4.133 ( 8.495 24.904 15.346) 30.461 4.722 ( -0.347 2.517 7.657) 8.067 5.061 ( -6.492 -7.888 -1.377) 10.309 5.179 ( -3.286 -7.504 0.173) 8.194 5.658 ( 0.369 0.848 22.477) 22.496 5.712 ( 2.379 -2.267 20.259) 20.524 6.051 ( 0.608 6.377 19.545) 20.568 6.400 ( -3.157 -11.310 19.278) 22.573 7.822 ( -0.332 6.005 -0.233) 6.018 7.980 ( 0.551 1.569 -1.781) 2.437 8.163 ( 2.345 -0.033 0.654) 2.434 8.248 ( 2.064 -2.320 -2.069) 3.731 8.613 ( -1.013 9.929 -9.183) 13.563 9.036 ( -2.816 -10.159 -9.010) 13.868 ======================= Grid point 272 (93/225) ======================= q-point: ( 0.22 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 1.317 21.954 13.360) 25.734 3.143 ( 11.500 17.230 14.191) 25.110 3.647 ( -0.324 -20.023 10.270) 22.506 3.752 ( 2.267 -10.674 12.953) 16.936 4.316 ( 7.725 16.861 12.582) 22.411 4.720 ( -0.621 8.036 6.739) 10.506 4.915 ( -6.736 -10.371 -0.357) 12.372 5.064 ( -6.804 -4.210 0.180) 8.003 5.666 ( 0.287 0.934 22.541) 22.562 5.773 ( 3.195 -3.846 18.502) 19.166 6.071 ( 1.227 5.430 21.544) 22.251 6.324 ( -3.836 -7.552 21.565) 23.169 7.813 ( -0.431 4.696 0.145) 4.718 7.983 ( -0.549 -1.592 -1.839) 2.494 8.219 ( 3.147 2.752 -1.003) 4.299 8.311 ( 3.572 -1.466 -2.397) 4.544 8.591 ( -0.843 6.780 -7.755) 10.336 8.956 ( -4.808 -9.859 -7.188) 13.114 ======================= Grid point 273 (94/225) ======================= q-point: ( 0.33 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 9.078 18.009 7.824) 21.632 3.412 ( 14.067 12.244 12.467) 22.433 3.562 ( -7.431 -9.382 5.653) 13.236 3.827 ( 4.141 -9.445 12.988) 16.584 4.416 ( 1.610 8.113 8.922) 12.166 4.613 ( -9.529 10.612 -1.452) 14.336 4.826 ( -2.265 -11.396 2.293) 11.844 4.974 ( -1.328 -6.350 3.717) 7.477 5.681 ( 1.577 2.584 22.504) 22.707 5.821 ( 1.038 -2.626 17.895) 18.116 6.102 ( 1.837 4.199 23.506) 23.948 6.254 ( -3.008 -3.592 23.583) 24.044 7.813 ( 0.668 2.911 0.406) 3.014 7.953 ( -2.309 -2.394 -1.452) 3.629 8.289 ( 3.384 3.993 -2.221) 5.686 8.370 ( 1.821 0.850 -3.249) 3.820 8.592 ( 1.287 1.210 -5.668) 5.937 8.848 ( -5.526 -9.064 -5.143) 11.795 ======================= Grid point 274 (95/225) ======================= q-point: ( 0.44 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 13.185 10.572 4.162) 17.405 3.344 ( -12.437 0.705 3.438) 12.923 3.708 ( 12.839 6.916 12.951) 19.504 3.872 ( -1.779 -5.891 14.072) 15.359 4.387 ( -2.537 8.489 2.252) 9.141 4.420 ( -6.772 9.275 -4.258) 12.248 4.848 ( 4.027 -12.903 3.430) 13.945 4.937 ( -3.424 -11.151 5.131) 12.744 5.738 ( 3.658 3.487 21.233) 21.827 5.806 ( -2.427 0.909 19.069) 19.245 6.146 ( 2.432 2.125 24.511) 24.723 6.198 ( -2.571 -0.414 24.541) 24.679 7.843 ( 2.172 0.854 0.103) 2.337 7.897 ( -2.904 -1.120 -0.659) 3.182 8.349 ( 2.333 3.835 -3.098) 5.454 8.381 ( -0.673 3.061 -3.520) 4.713 8.646 ( 3.749 -4.198 -4.078) 6.950 8.738 ( -5.074 -7.358 -3.913) 9.757 ======================= Grid point 279 (96/225) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 0.000 -10.679 17.033) 20.104 3.135 ( 0.000 10.679 17.033) 20.104 3.397 ( 0.000 -12.936 15.967) 20.549 3.397 ( 0.000 12.936 15.967) 20.549 4.563 ( 0.000 -20.258 13.830) 24.528 4.563 ( 0.000 20.258 13.830) 24.528 5.054 ( 0.000 -0.402 -3.182) 3.207 5.054 ( 0.000 0.402 -3.182) 3.207 5.673 ( 0.000 -0.656 22.062) 22.072 5.673 ( 0.000 0.656 22.062) 22.072 6.212 ( 0.000 -9.524 18.883) 21.149 6.212 ( 0.000 9.524 18.883) 21.149 7.946 ( 0.000 -4.843 -0.769) 4.904 7.946 ( 0.000 4.843 -0.769) 4.904 8.164 ( 0.000 -3.220 -0.572) 3.270 8.164 ( 0.000 3.220 -0.572) 3.270 8.849 ( 0.000 -11.114 -10.081) 15.005 8.849 ( 0.000 11.114 -10.081) 15.005 ======================= Grid point 281 (97/225) ======================= q-point: ( 0.11 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 1.102 -14.007 15.192) 20.693 3.151 ( 1.102 14.007 15.192) 20.693 3.409 ( 2.001 -12.460 16.084) 20.445 3.409 ( 2.001 12.460 16.084) 20.445 4.600 ( 2.782 -17.226 12.223) 21.305 4.600 ( 2.782 17.226 12.223) 21.305 5.019 ( -3.201 -5.463 -2.714) 6.889 5.019 ( -3.201 5.463 -2.714) 6.889 5.678 ( 0.591 -1.171 21.821) 21.861 5.678 ( 0.591 1.171 21.821) 21.861 6.202 ( -0.798 -8.521 19.824) 21.592 6.202 ( -0.798 8.521 19.824) 21.592 7.938 ( -0.841 -4.814 -0.825) 4.955 7.938 ( -0.841 4.814 -0.825) 4.955 8.195 ( 2.844 -2.647 -0.899) 3.987 8.195 ( 2.844 2.647 -0.899) 3.987 8.824 ( -2.354 -10.698 -9.364) 14.411 8.824 ( -2.354 10.698 -9.364) 14.411 ======================= Grid point 283 (98/225) ======================= q-point: ( 0.22 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 1.156 -20.592 11.156) 23.449 3.171 ( 1.156 20.592 11.156) 23.449 3.505 ( 7.087 -12.603 15.721) 21.359 3.505 ( 7.087 12.603 15.721) 21.359 4.633 ( -0.226 -13.614 7.190) 15.398 4.633 ( -0.226 13.614 7.190) 15.398 4.936 ( -4.710 -8.229 -0.569) 9.498 4.936 ( -4.710 8.229 -0.569) 9.498 5.701 ( 1.787 -2.745 21.248) 21.499 5.701 ( 1.787 2.745 21.248) 21.499 6.187 ( -0.553 -6.169 21.950) 22.807 6.187 ( -0.553 6.169 21.950) 22.807 7.913 ( -1.394 -4.778 -0.676) 5.023 7.913 ( -1.394 4.778 -0.676) 5.023 8.270 ( 4.163 -2.312 -1.805) 5.093 8.270 ( 4.163 2.312 -1.805) 5.093 8.759 ( -3.756 -9.394 -7.478) 12.581 8.759 ( -3.756 9.394 -7.478) 12.581 ======================= Grid point 285 (99/225) ======================= q-point: ( 0.33 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 2.985 -18.545 7.367) 20.177 3.214 ( 2.985 18.545 7.367) 20.177 3.666 ( 7.672 -8.690 14.386) 18.475 3.666 ( 7.672 8.690 14.386) 18.475 4.597 ( -2.289 -9.972 1.785) 10.386 4.597 ( -2.289 9.972 1.785) 10.386 4.824 ( -6.375 -8.780 1.955) 11.025 4.824 ( -6.375 8.780 1.955) 11.025 5.750 ( 2.707 -3.962 20.378) 20.935 5.750 ( 2.707 3.962 20.378) 20.935 6.181 ( -0.059 -3.691 23.951) 24.234 6.181 ( -0.059 3.691 23.951) 24.234 7.886 ( -1.167 -3.876 -0.384) 4.066 7.886 ( -1.167 3.876 -0.384) 4.066 8.352 ( 3.550 -2.291 -2.658) 4.992 8.352 ( 3.550 2.291 -2.658) 4.992 8.681 ( -3.598 -6.993 -5.226) 9.443 8.681 ( -3.598 6.993 -5.226) 9.443 ======================= Grid point 287 (100/225) ======================= q-point: ( 0.44 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 1.977 -7.840 4.905) 9.457 3.272 ( 1.977 7.840 4.905) 9.457 3.783 ( 3.132 -2.430 13.105) 13.691 3.783 ( 3.132 2.430 13.105) 13.691 4.586 ( 1.975 -12.301 0.153) 12.460 4.586 ( 1.975 12.301 0.153) 12.460 4.685 ( -6.472 -13.540 2.364) 15.192 4.685 ( -6.472 13.540 2.364) 15.192 5.796 ( 1.344 -1.912 19.594) 19.732 5.796 ( 1.344 1.912 19.594) 19.732 6.181 ( 0.023 -1.285 25.061) 25.094 6.181 ( 0.023 1.285 25.061) 25.094 7.869 ( -0.426 -1.531 -0.212) 1.603 7.869 ( -0.426 1.531 -0.212) 1.603 8.406 ( 1.500 -1.218 -3.043) 3.604 8.406 ( 1.500 1.218 -3.043) 3.604 8.624 ( -1.625 -2.874 -3.708) 4.965 8.624 ( -1.625 2.874 -3.708) 4.965 ======================= Grid point 324 (101/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 0.000 20.581) 20.581 2.532 ( 0.000 0.000 23.533) 23.533 3.630 ( 0.000 0.000 34.373) 34.373 4.457 ( 0.000 0.000 3.692) 3.692 4.517 ( 0.000 0.000 -0.758) 0.758 4.774 ( 0.000 0.000 14.066) 14.066 5.298 ( 0.000 0.000 3.763) 3.763 5.462 ( 0.000 0.000 0.128) 0.128 6.084 ( 0.000 0.000 20.442) 20.442 6.118 ( 0.000 0.000 18.430) 18.430 6.182 ( 0.000 0.000 14.495) 14.495 7.545 ( 0.000 0.000 -1.657) 1.657 7.597 ( 0.000 0.000 1.484) 1.484 7.644 ( 0.000 0.000 -3.144) 3.144 7.810 ( 0.000 0.000 -0.574) 0.574 8.190 ( 0.000 0.000 -5.360) 5.360 8.310 ( 0.000 0.000 4.006) 4.006 9.284 ( 0.000 0.000 -8.038) 8.038 ======================= Grid point 325 (102/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 9.175 0.000 18.420) 20.578 2.396 ( -9.621 0.000 22.374) 24.355 3.812 ( 13.970 0.000 29.191) 32.362 4.432 ( -3.075 0.000 2.987) 4.287 4.462 ( -4.805 0.000 0.929) 4.894 4.755 ( -1.787 0.000 13.008) 13.131 5.312 ( 1.384 0.000 3.730) 3.978 5.408 ( -4.059 0.000 1.520) 4.334 6.106 ( 1.686 0.000 18.944) 19.019 6.150 ( 2.951 0.000 19.716) 19.935 6.164 ( -1.614 0.000 15.288) 15.373 7.303 ( -13.888 0.000 5.776) 15.041 7.659 ( 3.231 0.000 -2.111) 3.859 7.799 ( 8.461 0.000 -4.277) 9.481 7.822 ( 1.109 0.000 -0.398) 1.178 8.181 ( -0.779 0.000 -5.579) 5.633 8.345 ( 3.376 0.000 2.786) 4.377 9.262 ( -2.185 0.000 -7.750) 8.052 ======================= Grid point 326 (103/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -0.398 0.000 15.311) 15.316 2.316 ( 15.046 0.000 13.292) 20.076 4.016 ( 0.889 0.000 11.129) 11.164 4.282 ( -12.488 0.000 0.972) 12.526 4.398 ( 2.114 0.000 12.360) 12.539 4.715 ( -1.542 0.000 10.221) 10.336 5.352 ( -0.694 0.000 4.799) 4.849 5.355 ( 2.851 0.000 4.603) 5.415 6.122 ( -2.330 0.000 17.371) 17.526 6.144 ( 1.760 0.000 18.864) 18.946 6.220 ( 3.744 0.000 20.158) 20.503 7.026 ( -12.654 0.000 12.226) 17.596 7.732 ( 3.424 0.000 -3.267) 4.733 7.847 ( 1.089 0.000 -0.112) 1.094 7.948 ( 6.142 0.000 -3.993) 7.326 8.163 ( -0.794 0.000 -5.999) 6.051 8.445 ( 6.233 0.000 0.061) 6.233 9.196 ( -4.238 0.000 -6.999) 8.183 ======================= Grid point 327 (104/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 13.343 0.000 4.761) 14.167 2.649 ( 16.652 0.000 7.075) 18.093 3.850 ( -13.246 0.000 1.598) 13.342 3.932 ( -20.522 0.000 -0.778) 20.537 4.525 ( 6.705 0.000 14.972) 16.405 4.694 ( -0.872 0.000 8.227) 8.273 5.379 ( 2.846 0.000 7.389) 7.919 5.424 ( 3.516 0.000 6.815) 7.668 6.079 ( -1.529 0.000 20.105) 20.163 6.158 ( -0.686 0.000 20.694) 20.705 6.312 ( 5.471 0.000 19.345) 20.104 6.792 ( -10.187 0.000 16.270) 19.196 7.791 ( 2.366 0.000 -3.323) 4.080 7.860 ( 0.127 0.000 -0.349) 0.372 8.053 ( 4.052 0.000 -3.612) 5.429 8.151 ( -0.390 0.000 -5.959) 5.972 8.596 ( 8.288 0.000 -2.338) 8.611 9.089 ( -6.142 0.000 -6.027) 8.606 ======================= Grid point 328 (105/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 18.594 0.000 -3.373) 18.898 2.935 ( 7.320 0.000 -1.150) 7.410 3.528 ( -14.208 0.000 2.057) 14.356 3.563 ( -12.825 0.000 3.620) 13.326 4.625 ( 3.212 0.000 10.010) 10.513 4.670 ( -1.525 0.000 7.947) 8.092 5.444 ( 2.885 0.000 8.285) 8.773 5.472 ( 0.570 0.000 8.088) 8.108 6.074 ( 1.241 0.000 22.265) 22.300 6.120 ( -2.638 0.000 22.230) 22.386 6.443 ( 7.173 0.000 18.789) 20.112 6.603 ( -8.410 0.000 18.105) 19.963 7.830 ( 1.478 0.000 -2.448) 2.859 7.853 ( -0.760 0.000 -1.291) 1.498 8.115 ( 2.067 0.000 -4.219) 4.698 8.142 ( -0.733 0.000 -5.207) 5.258 8.774 ( 8.777 0.000 -3.886) 9.599 8.945 ( -7.810 0.000 -5.006) 9.277 ======================= Grid point 333 (106/225) ======================= q-point: ( 0.00 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.000 21.869 17.090) 27.755 2.637 ( 0.000 10.052 22.581) 24.717 3.694 ( 0.000 6.757 33.322) 34.000 4.395 ( 0.000 -5.940 4.503) 7.455 4.425 ( 0.000 -9.347 4.597) 10.416 4.750 ( 0.000 -0.634 8.612) 8.635 5.356 ( 0.000 4.057 3.813) 5.567 5.411 ( 0.000 -4.842 -0.060) 4.843 6.076 ( 0.000 -0.431 20.337) 20.342 6.109 ( 0.000 -0.725 18.881) 18.895 6.209 ( 0.000 2.408 15.496) 15.682 7.322 ( 0.000 -16.365 3.982) 16.843 7.625 ( 0.000 2.726 1.235) 2.993 7.677 ( 0.000 5.788 -1.376) 5.950 7.997 ( 0.000 10.589 -5.491) 11.928 8.194 ( 0.000 0.332 -5.012) 5.023 8.303 ( 0.000 -0.640 3.473) 3.532 9.229 ( 0.000 -5.328 -8.300) 9.863 ======================= Grid point 334 (107/225) ======================= q-point: ( 0.11 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 7.231 20.564 15.822) 26.935 2.499 ( -9.554 9.777 21.413) 25.405 3.870 ( 13.013 5.925 27.570) 31.057 4.347 ( -4.085 -6.232 4.763) 8.844 4.444 ( 1.158 -5.571 4.198) 7.071 4.715 ( -3.314 -1.360 9.748) 10.386 5.318 ( -3.707 -0.616 1.705) 4.127 5.375 ( -2.213 -2.841 2.682) 4.490 6.085 ( 1.104 -1.007 20.049) 20.105 6.140 ( 1.869 -0.444 18.234) 18.335 6.215 ( 0.998 3.551 16.968) 17.364 7.192 ( -10.082 -10.223 7.968) 16.421 7.677 ( 2.954 0.296 -0.309) 2.984 7.735 ( 5.335 3.558 -1.495) 6.584 8.005 ( 0.699 9.013 -4.978) 10.320 8.189 ( -0.438 0.702 -5.354) 5.417 8.339 ( 3.318 -0.660 2.170) 4.019 9.208 ( -2.063 -5.212 -7.937) 9.717 ======================= Grid point 335 (108/225) ======================= q-point: ( 0.22 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -0.816 8.986 15.877) 18.261 2.529 ( 12.812 17.551 11.053) 24.379 4.009 ( -4.354 -0.411 7.595) 8.764 4.284 ( -1.217 -0.703 8.192) 8.311 4.449 ( -0.913 4.116 7.511) 8.613 4.636 ( -2.504 -5.953 11.930) 13.566 5.259 ( -0.612 -5.799 2.724) 6.437 5.346 ( -0.283 -3.834 5.385) 6.617 6.102 ( -0.164 -0.757 20.424) 20.439 6.165 ( 1.004 0.778 16.871) 16.919 6.263 ( 3.457 3.989 19.845) 20.535 6.974 ( -10.476 -4.906 13.439) 17.732 7.736 ( 2.799 0.027 -0.797) 2.910 7.840 ( 3.959 1.867 -2.369) 4.978 8.028 ( 1.739 5.492 -3.406) 6.692 8.180 ( -0.304 1.619 -5.976) 6.198 8.434 ( 5.918 -1.022 -0.474) 6.024 9.145 ( -4.019 -4.885 -7.003) 9.437 ======================= Grid point 336 (109/225) ======================= q-point: ( 0.33 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 11.902 6.010 6.298) 14.746 2.829 ( 15.416 15.741 5.519) 22.714 3.771 ( -15.587 -3.388 1.558) 16.027 4.093 ( -16.212 11.069 -0.629) 19.640 4.488 ( 3.521 -5.021 11.959) 13.440 4.633 ( 0.252 -4.094 10.574) 11.342 5.301 ( 4.016 -7.112 5.933) 10.095 5.373 ( 2.676 -4.915 8.099) 9.844 6.083 ( -1.020 0.311 20.964) 20.992 6.172 ( -0.864 1.046 19.113) 19.161 6.352 ( 5.186 3.679 20.018) 21.004 6.776 ( -8.754 -1.498 17.116) 19.283 7.790 ( 2.426 -0.179 -0.852) 2.577 7.881 ( 0.279 1.912 -2.538) 3.190 8.079 ( 2.941 2.723 -2.933) 4.967 8.175 ( -0.296 2.184 -5.911) 6.309 8.577 ( 7.803 -1.833 -2.577) 8.419 9.044 ( -5.840 -4.377 -5.860) 9.360 ======================= Grid point 337 (110/225) ======================= q-point: ( 0.44 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 18.493 3.648 -1.174) 18.886 3.058 ( 0.038 9.997 -2.737) 10.365 3.508 ( -2.718 2.586 4.714) 6.025 3.731 ( -17.459 11.952 1.748) 21.230 4.555 ( 3.012 -7.140 8.272) 11.335 4.610 ( -2.253 -5.121 8.023) 9.781 5.387 ( 3.526 -5.821 7.816) 10.364 5.419 ( 0.725 -4.953 8.678) 10.019 6.082 ( 1.286 0.787 21.921) 21.972 6.130 ( -2.780 0.982 21.220) 21.424 6.472 ( 6.413 2.647 19.638) 20.828 6.612 ( -7.328 0.904 18.925) 20.315 7.835 ( 1.939 0.286 -1.168) 2.282 7.868 ( -1.264 1.148 -1.826) 2.500 8.133 ( 2.089 2.053 -3.963) 4.928 8.164 ( -0.952 2.142 -5.108) 5.620 8.745 ( 8.301 -2.812 -3.831) 9.565 8.907 ( -7.420 -3.689 -4.801) 9.577 ======================= Grid point 342 (111/225) ======================= q-point: ( 0.00 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.000 24.297 13.240) 27.670 2.909 ( 0.000 16.023 20.242) 25.816 3.927 ( 0.000 16.344 28.847) 33.155 4.169 ( 0.000 -14.877 10.002) 17.927 4.229 ( 0.000 -9.799 6.618) 11.825 4.772 ( 0.000 2.662 4.067) 4.861 5.283 ( 0.000 -7.367 -0.125) 7.368 5.390 ( 0.000 -2.080 3.792) 4.326 6.076 ( 0.000 0.466 20.952) 20.957 6.097 ( 0.000 -0.348 19.616) 19.619 6.277 ( 0.000 4.428 16.388) 16.976 7.003 ( 0.000 -14.450 10.052) 17.603 7.705 ( 0.000 5.092 0.631) 5.131 7.818 ( 0.000 7.044 -2.040) 7.334 8.171 ( 0.000 5.312 -3.242) 6.223 8.197 ( 0.000 -0.234 -4.046) 4.052 8.300 ( 0.000 1.954 -1.424) 2.418 9.080 ( 0.000 -9.135 -8.939) 12.781 ======================= Grid point 343 (112/225) ======================= q-point: ( 0.11 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -2.263 17.164 15.934) 23.529 2.783 ( -1.843 23.672 15.906) 28.579 4.041 ( 5.865 7.552 18.535) 20.857 4.188 ( -2.479 -9.901 7.336) 12.569 4.252 ( 8.145 -7.739 14.752) 18.543 4.744 ( -2.752 3.485 4.497) 6.320 5.235 ( -3.935 -6.992 0.460) 8.036 5.322 ( -6.124 -3.237 3.569) 7.792 6.080 ( 0.933 0.355 21.141) 21.165 6.127 ( 1.933 -0.851 18.641) 18.760 6.301 ( 2.288 5.021 17.460) 18.311 6.955 ( -4.289 -11.882 12.035) 17.448 7.721 ( 1.306 3.926 0.487) 4.166 7.849 ( 2.703 5.896 -2.465) 6.939 8.150 ( -1.298 4.125 -2.636) 5.065 8.212 ( 0.898 1.963 -4.911) 5.364 8.329 ( 2.775 0.793 -1.573) 3.287 9.061 ( -1.786 -8.977 -8.374) 12.406 ======================= Grid point 344 (113/225) ======================= q-point: ( 0.22 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -3.377 16.677 14.886) 22.608 2.951 ( 11.165 22.561 9.446) 26.886 3.995 ( -10.004 -1.887 4.089) 10.971 4.176 ( 2.625 -11.274 7.760) 13.936 4.484 ( 10.284 1.449 17.819) 20.625 4.641 ( -8.181 6.032 4.626) 11.168 5.145 ( -5.172 -4.931 0.045) 7.146 5.211 ( -1.437 -8.742 7.132) 11.374 6.096 ( 0.137 -0.009 21.421) 21.422 6.167 ( 1.890 -0.600 17.217) 17.331 6.363 ( 3.627 5.568 19.579) 20.676 6.849 ( -5.595 -6.851 15.866) 18.165 7.752 ( 1.732 2.016 0.575) 2.719 7.905 ( 2.091 3.189 -3.549) 5.210 8.134 ( 0.116 4.574 -1.627) 4.856 8.227 ( 0.571 3.062 -5.471) 6.295 8.409 ( 4.944 -0.993 -2.428) 5.597 9.007 ( -3.477 -8.495 -6.964) 11.522 ======================= Grid point 345 (114/225) ======================= q-point: ( 0.33 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 8.264 13.818 7.439) 17.736 3.212 ( 13.306 20.748 4.922) 25.135 3.727 ( -14.405 -1.579 2.624) 14.727 4.246 ( 3.455 -7.593 3.546) 9.064 4.380 ( -15.047 6.781 3.241) 16.820 4.589 ( -1.546 -0.431 12.348) 12.452 5.107 ( 2.754 -11.780 3.278) 12.533 5.251 ( 3.300 -6.586 9.950) 12.380 6.090 ( -0.191 0.471 21.351) 21.357 6.188 ( -0.255 0.318 17.717) 17.722 6.446 ( 4.357 5.182 20.953) 22.020 6.738 ( -5.139 -2.136 18.984) 19.783 7.791 ( 2.077 0.592 0.551) 2.229 7.917 ( -0.824 1.107 -3.287) 3.565 8.159 ( 2.001 4.730 -1.975) 5.503 8.234 ( 0.061 3.621 -5.148) 6.294 8.527 ( 6.444 -2.772 -3.179) 7.702 8.920 ( -5.022 -7.655 -5.371) 10.615 ======================= Grid point 346 (115/225) ======================= q-point: ( 0.44 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 16.071 9.454 1.361) 18.695 3.262 ( -13.948 8.936 -1.916) 16.675 3.656 ( 13.322 11.566 5.731) 18.549 4.007 ( -18.379 14.202 1.696) 23.289 4.361 ( 5.737 -10.402 5.755) 13.200 4.490 ( -6.432 -5.925 6.309) 10.783 5.209 ( 5.426 -11.506 6.968) 14.505 5.282 ( -1.042 -8.615 8.910) 12.438 6.106 ( 1.868 1.544 21.011) 21.151 6.156 ( -2.509 1.440 19.440) 19.654 6.540 ( 4.728 3.746 21.227) 22.068 6.637 ( -4.780 1.398 20.669) 21.260 7.837 ( 2.344 0.010 -0.215) 2.354 7.884 ( -2.124 0.234 -1.686) 2.721 8.200 ( 1.775 4.355 -3.317) 5.755 8.227 ( -0.808 4.020 -4.384) 6.002 8.666 ( 6.912 -4.682 -3.579) 9.083 8.803 ( -6.289 -6.387 -4.191) 9.895 ======================= Grid point 351 (116/225) ======================= q-point: ( 0.00 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 0.000 18.186 13.590) 22.702 3.251 ( 0.000 16.911 17.310) 24.200 3.856 ( 0.000 -15.453 12.281) 19.739 3.956 ( 0.000 -13.328 10.913) 17.226 4.391 ( 0.000 24.316 19.527) 31.186 4.850 ( 0.000 4.843 3.538) 5.997 5.128 ( 0.000 -7.703 -0.137) 7.704 5.243 ( 0.000 -12.547 5.434) 13.674 6.089 ( 0.000 0.613 21.110) 21.119 6.095 ( 0.000 0.108 20.182) 20.182 6.391 ( 0.000 6.856 16.196) 17.587 6.747 ( 0.000 -11.053 13.444) 17.404 7.821 ( 0.000 5.968 -0.163) 5.971 7.927 ( 0.000 3.159 -2.900) 4.288 8.178 ( 0.000 -2.021 2.595) 3.289 8.181 ( 0.000 -1.230 -2.543) 2.825 8.439 ( 0.000 9.850 -8.904) 13.278 8.875 ( 0.000 -10.798 -9.514) 14.392 ======================= Grid point 352 (117/225) ======================= q-point: ( 0.11 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -5.379 17.419 15.523) 23.944 3.245 ( 3.097 20.025 13.516) 24.357 3.859 ( -0.013 -16.057 10.759) 19.329 3.959 ( 0.046 -12.707 10.451) 16.453 4.465 ( 5.741 18.962 16.875) 26.025 4.841 ( -1.063 6.187 2.710) 6.838 5.066 ( -4.227 -9.552 2.913) 10.844 5.207 ( -4.321 -8.484 3.867) 10.276 6.089 ( 0.480 0.432 20.956) 20.966 6.109 ( 0.985 -0.778 19.760) 19.800 6.417 ( 2.363 6.462 17.321) 18.638 6.736 ( -0.937 -9.701 14.820) 17.737 7.819 ( -0.150 5.399 -0.110) 5.402 7.934 ( 0.510 1.999 -2.916) 3.571 8.173 ( 0.439 -0.156 -0.493) 0.679 8.215 ( 2.345 -1.779 -0.343) 2.964 8.439 ( 0.073 9.084 -8.236) 12.262 8.860 ( -1.434 -10.595 -8.743) 13.811 ======================= Grid point 353 (118/225) ======================= q-point: ( 0.22 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -3.653 19.744 12.827) 23.826 3.381 ( 9.291 18.468 10.437) 23.158 3.819 ( -4.983 -15.900 7.383) 18.225 3.968 ( 1.506 -7.569 8.758) 11.673 4.569 ( 3.750 6.302 11.815) 13.906 4.758 ( -7.015 3.707 -2.525) 8.326 5.031 ( -4.082 -6.628 10.504) 13.074 5.073 ( -3.129 -3.186 2.688) 5.212 6.097 ( 0.184 0.218 21.019) 21.021 6.142 ( 2.119 -1.709 18.513) 18.712 6.478 ( 3.338 5.687 19.543) 20.626 6.714 ( -1.108 -6.347 17.868) 18.994 7.816 ( -0.063 4.011 0.172) 4.015 7.938 ( -0.374 -0.211 -2.843) 2.875 8.198 ( 1.898 2.042 -1.441) 3.138 8.268 ( 2.574 -0.422 -1.578) 3.049 8.449 ( 1.142 6.150 -6.373) 8.930 8.817 ( -2.724 -9.936 -6.832) 12.362 ======================= Grid point 354 (119/225) ======================= q-point: ( 0.33 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 4.181 17.826 7.572) 19.814 3.609 ( 12.399 12.858 7.941) 19.548 3.650 ( -10.678 -3.928 3.162) 11.809 4.027 ( 4.027 -8.614 7.740) 12.261 4.509 ( -9.529 2.066 -3.040) 10.213 4.681 ( -3.924 9.142 11.413) 15.140 4.852 ( -3.805 -11.580 0.293) 12.193 5.112 ( 0.844 -7.511 9.944) 12.491 6.107 ( 1.067 1.324 20.645) 20.714 6.179 ( 1.085 -1.228 17.987) 18.061 6.547 ( 3.301 4.685 21.462) 22.214 6.691 ( -1.192 -2.554 20.634) 20.825 7.821 ( 0.605 2.307 0.303) 2.405 7.917 ( -1.574 -1.121 -2.232) 2.952 8.244 ( 2.435 3.427 -2.338) 4.810 8.309 ( 1.143 2.471 -2.819) 3.919 8.493 ( 3.180 0.775 -4.230) 5.349 8.750 ( -3.772 -8.710 -4.742) 10.610 ======================= Grid point 355 (120/225) ======================= q-point: ( 0.44 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 10.629 11.955 3.231) 16.320 3.397 ( -12.975 3.722 1.749) 13.611 3.883 ( 13.293 7.464 5.047) 16.059 4.082 ( -2.494 -7.657 7.185) 10.792 4.345 ( -2.080 8.627 -2.833) 9.315 4.474 ( -11.215 8.800 5.650) 15.335 4.938 ( 7.153 -14.802 5.999) 17.500 5.069 ( -4.828 -12.439 8.159) 15.640 6.142 ( 2.116 1.920 19.679) 19.885 6.179 ( -1.081 0.572 18.449) 18.489 6.611 ( 2.810 3.032 22.393) 22.772 6.660 ( -1.946 0.618 22.139) 22.233 7.843 ( 1.504 0.653 -0.185) 1.650 7.879 ( -1.957 -0.614 -1.186) 2.369 8.289 ( 1.812 4.052 -2.887) 5.295 8.314 ( -0.533 4.032 -3.079) 5.101 8.573 ( 4.388 -3.811 -3.204) 6.637 8.665 ( -4.425 -6.762 -3.397) 8.766 ======================= Grid point 360 (121/225) ======================= q-point: ( 0.00 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 0.000 -8.520 14.477) 16.799 3.441 ( 0.000 8.520 14.477) 16.799 3.686 ( 0.000 -8.702 12.982) 15.629 3.686 ( 0.000 8.702 12.982) 15.629 4.866 ( 0.000 -18.486 16.296) 24.643 4.866 ( 0.000 18.486 16.296) 24.643 4.991 ( 0.000 -3.297 -3.076) 4.509 4.991 ( 0.000 3.297 -3.076) 4.509 6.096 ( 0.000 -0.108 20.706) 20.707 6.096 ( 0.000 0.108 20.706) 20.707 6.549 ( 0.000 -8.700 15.222) 17.532 6.549 ( 0.000 8.700 15.222) 17.532 7.924 ( 0.000 -3.433 -1.639) 3.804 7.924 ( 0.000 3.433 -1.639) 3.804 8.158 ( 0.000 -0.534 0.040) 0.536 8.158 ( 0.000 0.534 0.040) 0.536 8.653 ( 0.000 -10.981 -9.579) 14.571 8.653 ( 0.000 10.981 -9.579) 14.571 ======================= Grid point 362 (122/225) ======================= q-point: ( 0.11 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -1.445 -11.690 13.403) 17.843 3.430 ( -1.445 11.690 13.403) 17.843 3.693 ( 1.538 -10.240 12.584) 16.296 3.693 ( 1.538 10.240 12.584) 16.296 4.828 ( -4.013 -15.046 7.169) 17.143 4.828 ( -4.013 15.046 7.169) 17.143 5.003 ( 1.141 -9.939 4.483) 10.963 5.003 ( 1.141 9.939 4.483) 10.963 6.097 ( 0.208 -0.437 20.491) 20.496 6.097 ( 0.208 0.437 20.491) 20.496 6.561 ( 1.135 -7.775 16.440) 18.221 6.561 ( 1.135 7.775 16.440) 18.221 7.917 ( -0.706 -3.533 -1.465) 3.889 7.917 ( -0.706 3.533 -1.465) 3.889 8.180 ( 2.064 -1.196 -0.482) 2.434 8.180 ( 2.064 1.196 -0.482) 2.434 8.643 ( -0.915 -10.663 -8.752) 13.825 8.643 ( -0.915 10.663 -8.752) 13.825 ======================= Grid point 364 (123/225) ======================= q-point: ( 0.22 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -2.368 -18.491 10.552) 21.422 3.385 ( -2.368 18.491 10.552) 21.422 3.768 ( 5.450 -11.996 11.042) 17.191 3.768 ( 5.450 11.996 11.042) 17.191 4.712 ( -6.577 -6.886 -0.299) 9.528 4.712 ( -6.577 6.886 -0.299) 9.528 5.009 ( -1.372 -3.050 8.804) 9.418 5.009 ( -1.372 3.050 8.804) 9.418 6.110 ( 1.156 -1.180 20.011) 20.079 6.110 ( 1.156 1.180 20.011) 20.079 6.593 ( 1.868 -5.725 19.062) 19.991 6.593 ( 1.868 5.725 19.062) 19.991 7.897 ( -1.090 -3.504 -1.074) 3.823 7.897 ( -1.090 3.504 -1.074) 3.823 8.236 ( 3.176 -1.962 -1.567) 4.048 8.236 ( 3.176 1.962 -1.567) 4.048 8.618 ( -1.514 -9.537 -6.684) 11.744 8.618 ( -1.514 9.537 -6.684) 11.744 ======================= Grid point 366 (124/225) ======================= q-point: ( 0.33 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -0.352 -17.509 6.848) 18.803 3.355 ( -0.352 17.509 6.848) 18.803 3.888 ( 5.344 -8.370 8.178) 12.865 3.888 ( 5.344 8.370 8.178) 12.865 4.595 ( -3.871 -8.076 -1.677) 9.112 4.595 ( -3.871 8.076 -1.677) 9.112 4.933 ( -5.892 -10.195 8.629) 14.598 4.933 ( -5.892 10.195 8.629) 14.598 6.143 ( 1.851 -2.044 19.280) 19.476 6.143 ( 1.851 2.044 19.280) 19.476 6.631 ( 1.646 -3.525 21.428) 21.779 6.631 ( 1.646 3.525 21.428) 21.779 7.876 ( -0.946 -2.745 -0.750) 2.999 7.876 ( -0.946 2.745 -0.750) 2.999 8.302 ( 3.022 -2.230 -2.346) 4.428 8.302 ( 3.022 2.230 -2.346) 4.428 8.585 ( -1.641 -7.210 -4.424) 8.617 8.585 ( -1.641 7.210 -4.424) 8.617 ======================= Grid point 368 (125/225) ======================= q-point: ( 0.44 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 0.506 -7.571 3.947) 8.553 3.361 ( 0.506 7.571 3.947) 8.553 3.959 ( 1.458 -3.743 4.811) 6.268 3.959 ( 1.458 3.743 4.811) 6.268 4.580 ( 1.863 -12.441 -0.381) 12.586 4.580 ( 1.863 12.441 -0.381) 12.586 4.798 ( -5.778 -12.133 8.585) 15.947 4.798 ( -5.778 12.133 8.585) 15.947 6.174 ( 0.910 -1.019 18.594) 18.644 6.174 ( 0.910 1.019 18.594) 18.644 6.655 ( 0.623 -1.226 22.737) 22.779 6.655 ( 0.623 1.226 22.737) 22.779 7.862 ( -0.366 -1.059 -0.627) 1.284 7.862 ( -0.366 1.059 -0.627) 1.284 8.350 ( 1.394 -1.226 -2.577) 3.176 8.350 ( 1.394 1.226 -2.577) 3.176 8.557 ( -0.866 -2.972 -3.031) 4.332 8.557 ( -0.866 2.972 -3.031) 4.332 ======================= Grid point 405 (126/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 0.000 0.000 17.793) 17.793 2.926 ( 0.000 0.000 16.637) 16.637 4.229 ( 0.000 0.000 26.871) 26.871 4.505 ( 0.000 0.000 -0.462) 0.462 4.518 ( 0.000 0.000 2.480) 2.480 5.024 ( 0.000 0.000 11.343) 11.343 5.339 ( 0.000 0.000 1.057) 1.057 5.459 ( 0.000 0.000 -0.327) 0.327 6.442 ( 0.000 0.000 16.014) 16.014 6.456 ( 0.000 0.000 15.788) 15.788 6.471 ( 0.000 0.000 14.272) 14.272 7.511 ( 0.000 0.000 -2.120) 2.120 7.583 ( 0.000 0.000 -2.677) 2.677 7.634 ( 0.000 0.000 2.208) 2.208 7.803 ( 0.000 0.000 -0.135) 0.135 8.082 ( 0.000 0.000 -5.584) 5.584 8.389 ( 0.000 0.000 4.033) 4.033 9.127 ( 0.000 0.000 -7.919) 7.919 ======================= Grid point 406 (127/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 5.739 0.000 16.099) 17.092 2.779 ( -11.955 0.000 16.631) 20.482 4.238 ( -2.109 0.000 11.938) 12.123 4.474 ( -5.024 0.000 1.232) 5.173 4.550 ( 5.312 0.000 10.365) 11.647 4.976 ( -4.403 0.000 9.217) 10.215 5.363 ( 2.566 0.000 2.201) 3.380 5.444 ( -0.597 0.000 2.421) 2.493 6.445 ( 1.047 0.000 15.611) 15.646 6.465 ( -0.478 0.000 14.725) 14.733 6.507 ( 3.759 0.000 16.343) 16.769 7.391 ( -7.982 0.000 3.205) 8.602 7.609 ( 2.326 0.000 -2.865) 3.691 7.741 ( 6.826 0.000 -1.649) 7.022 7.818 ( 1.326 0.000 -0.066) 1.327 8.069 ( -1.176 0.000 -5.799) 5.917 8.408 ( 1.857 0.000 3.486) 3.950 9.111 ( -1.622 0.000 -7.601) 7.772 ======================= Grid point 407 (128/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -8.288 0.000 12.709) 15.173 2.561 ( 9.620 0.000 11.586) 15.059 4.106 ( -9.867 0.000 0.994) 9.916 4.272 ( -15.017 0.000 -1.760) 15.120 4.678 ( 5.401 0.000 13.116) 14.185 4.883 ( -3.679 0.000 6.728) 7.669 5.453 ( 6.028 0.000 6.027) 8.524 5.463 ( 2.569 0.000 6.580) 7.064 6.454 ( -0.518 0.000 15.884) 15.892 6.483 ( 2.454 0.000 15.584) 15.776 6.587 ( 3.684 0.000 16.868) 17.266 7.224 ( -8.045 0.000 8.124) 11.433 7.667 ( 3.075 0.000 -3.263) 4.484 7.847 ( 1.115 0.000 0.035) 1.115 7.876 ( 6.075 0.000 -3.168) 6.852 8.043 ( -1.060 0.000 -6.209) 6.299 8.467 ( 3.970 0.000 1.955) 4.425 9.060 ( -3.321 0.000 -6.772) 7.542 ======================= Grid point 408 (129/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 4.009 0.000 4.341) 5.909 2.769 ( 9.794 0.000 4.995) 10.994 3.869 ( -12.486 0.000 0.478) 12.495 3.896 ( -19.927 0.000 -2.444) 20.076 4.748 ( 1.817 0.000 8.039) 8.242 4.829 ( -1.902 0.000 5.568) 5.883 5.538 ( 4.293 0.000 8.579) 9.593 5.582 ( 5.582 0.000 9.126) 10.697 6.450 ( 0.351 0.000 17.350) 17.354 6.527 ( 1.132 0.000 16.708) 16.746 6.664 ( 4.322 0.000 16.257) 16.822 7.065 ( -7.530 0.000 11.578) 13.811 7.729 ( 2.887 0.000 -3.018) 4.177 7.852 ( -0.662 0.000 -0.577) 0.878 7.980 ( 3.826 0.000 -3.702) 5.324 8.035 ( 0.239 0.000 -5.813) 5.818 8.571 ( 6.160 0.000 -0.274) 6.166 8.974 ( -5.067 0.000 -5.655) 7.593 ======================= Grid point 409 (130/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 12.889 0.000 -3.849) 13.451 2.885 ( -1.717 0.000 -3.910) 4.270 3.570 ( -7.705 0.000 2.332) 8.051 3.627 ( -9.889 0.000 2.868) 10.297 4.773 ( 0.960 0.000 5.468) 5.551 4.796 ( -1.375 0.000 5.006) 5.191 5.620 ( 3.287 0.000 9.332) 9.894 5.651 ( 0.800 0.000 9.620) 9.653 6.474 ( 1.953 0.000 18.378) 18.481 6.518 ( -1.781 0.000 18.174) 18.261 6.775 ( 6.344 0.000 14.852) 16.150 6.914 ( -7.134 0.000 13.582) 15.342 7.783 ( 2.363 0.000 -2.390) 3.360 7.825 ( -1.764 0.000 -1.619) 2.394 8.032 ( 1.381 0.000 -4.108) 4.333 8.042 ( 0.182 0.000 -4.807) 4.810 8.711 ( 7.166 0.000 -2.527) 7.598 8.854 ( -6.569 0.000 -4.298) 7.850 ======================= Grid point 414 (131/225) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 0.000 17.384 15.435) 23.248 3.021 ( 0.000 8.998 16.397) 18.704 4.272 ( 0.000 4.594 25.691) 26.098 4.475 ( 0.000 -4.306 3.512) 5.557 4.478 ( 0.000 -3.363 1.598) 3.723 4.914 ( 0.000 -7.436 7.237) 10.376 5.408 ( 0.000 -4.699 -0.105) 4.700 5.421 ( 0.000 5.217 3.269) 6.157 6.440 ( 0.000 0.268 16.704) 16.706 6.453 ( 0.000 -0.272 15.940) 15.942 6.501 ( 0.000 2.501 13.754) 13.980 7.375 ( 0.000 -10.386 1.615) 10.511 7.642 ( 0.000 5.472 -2.202) 5.898 7.656 ( 0.000 2.209 1.899) 2.913 7.909 ( 0.000 7.684 -3.377) 8.393 8.093 ( 0.000 0.975 -5.258) 5.347 8.375 ( 0.000 -1.398 3.768) 4.019 9.069 ( 0.000 -5.592 -7.936) 9.708 ======================= Grid point 415 (132/225) ======================= q-point: ( 0.11 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 5.021 16.818 14.079) 22.501 2.871 ( -12.107 8.832 16.414) 22.226 4.247 ( -4.443 0.729 9.205) 10.247 4.443 ( -2.594 -3.373 3.934) 5.795 4.568 ( 6.978 1.425 11.395) 13.437 4.891 ( -2.137 -6.547 7.848) 10.441 5.330 ( -3.912 -3.276 0.106) 5.103 5.450 ( 0.938 0.119 5.018) 5.107 6.445 ( 1.307 0.214 16.301) 16.354 6.470 ( 0.223 0.256 15.587) 15.591 6.535 ( 3.501 2.690 15.031) 15.666 7.313 ( -5.167 -7.070 4.547) 9.867 7.657 ( 1.797 4.024 -1.968) 4.827 7.717 ( 4.503 0.868 -0.085) 4.587 7.924 ( 1.440 7.214 -3.144) 8.000 8.082 ( -0.958 1.187 -5.464) 5.673 8.393 ( 1.760 -1.473 3.210) 3.947 9.055 ( -1.386 -5.355 -7.570) 9.376 ======================= Grid point 416 (133/225) ======================= q-point: ( 0.22 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -8.133 8.919 13.264) 17.934 2.732 ( 8.247 15.059 9.690) 19.715 4.075 ( -11.855 -1.786 0.961) 12.027 4.330 ( -9.563 3.120 -0.888) 10.099 4.657 ( 0.526 -2.376 8.768) 9.099 4.854 ( -0.971 -1.368 10.581) 10.713 5.316 ( 3.259 -8.793 3.569) 10.033 5.484 ( 2.889 -1.908 8.645) 9.313 6.465 ( -0.539 0.763 15.931) 15.959 6.488 ( 2.452 0.335 16.113) 16.302 6.619 ( 4.300 3.256 16.218) 17.091 7.192 ( -6.246 -3.065 8.968) 11.351 7.705 ( 2.636 3.100 -2.390) 4.718 7.805 ( 3.405 -0.778 -1.190) 3.690 7.967 ( 2.635 5.960 -2.632) 7.027 8.063 ( -0.701 1.825 -5.940) 6.253 8.449 ( 3.762 -1.745 1.708) 4.485 9.011 ( -2.943 -4.742 -6.627) 8.664 ======================= Grid point 417 (134/225) ======================= q-point: ( 0.33 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 3.285 7.512 5.328) 9.778 2.920 ( 8.694 13.894 3.646) 16.790 3.789 ( -14.755 -2.313 0.489) 14.943 4.059 ( -15.331 10.064 -2.337) 18.487 4.655 ( 0.394 -8.689 5.699) 10.398 4.814 ( -3.217 -1.410 7.407) 8.197 5.430 ( 6.543 -9.093 7.201) 13.317 5.562 ( 3.866 -2.987 10.564) 11.639 6.456 ( -0.028 0.536 16.907) 16.915 6.525 ( 0.698 -0.253 16.650) 16.667 6.711 ( 4.806 4.313 16.372) 17.599 7.064 ( -6.156 -0.033 12.328) 13.779 7.759 ( 2.500 2.378 -2.279) 4.136 7.844 ( 0.500 -0.408 -1.366) 1.511 8.022 ( 2.352 3.946 -2.842) 5.402 8.060 ( 0.374 2.467 -5.709) 6.230 8.549 ( 5.919 -2.159 -0.379) 6.312 8.933 ( -4.675 -3.971 -5.407) 8.177 ======================= Grid point 418 (135/225) ======================= q-point: ( 0.44 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 12.838 6.190 -2.398) 14.452 2.986 ( -5.631 9.112 -4.488) 11.614 3.591 ( -0.410 4.102 3.800) 5.607 3.756 ( -13.235 10.374 1.001) 16.846 4.681 ( 2.119 -8.385 4.870) 9.925 4.740 ( -3.514 -5.473 5.268) 8.370 5.551 ( 4.733 -6.755 8.596) 11.913 5.605 ( -0.223 -4.584 9.791) 10.813 6.472 ( 1.611 -0.015 17.718) 17.791 6.512 ( -1.743 -0.428 17.529) 17.621 6.819 ( 5.702 3.998 15.649) 17.128 6.940 ( -5.995 2.352 14.410) 15.783 7.805 ( 1.908 1.645 -1.923) 3.170 7.836 ( -1.077 0.718 -1.593) 2.053 8.057 ( 1.100 2.691 -3.740) 4.737 8.067 ( 0.070 2.602 -4.523) 5.219 8.683 ( 6.903 -2.646 -2.417) 7.778 8.820 ( -6.241 -3.244 -4.047) 8.115 ======================= Grid point 423 (136/225) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 0.000 22.156 11.798) 25.102 3.263 ( 0.000 14.245 15.643) 21.157 4.331 ( 0.000 -11.333 6.786) 13.209 4.345 ( 0.000 -8.238 6.438) 10.455 4.432 ( 0.000 11.346 20.922) 23.801 4.823 ( 0.000 -0.840 0.988) 1.297 5.290 ( 0.000 -6.464 1.109) 6.559 5.482 ( 0.000 0.019 5.575) 5.575 6.450 ( 0.000 0.092 16.231) 16.232 6.453 ( 0.000 0.779 17.168) 17.185 6.567 ( 0.000 4.124 13.151) 13.783 7.158 ( 0.000 -10.447 6.086) 12.090 7.722 ( 0.000 4.177 0.964) 4.286 7.766 ( 0.000 5.893 -3.286) 6.747 8.075 ( 0.000 8.723 -4.852) 9.982 8.115 ( 0.000 1.028 -4.228) 4.351 8.330 ( 0.000 -3.034 2.931) 4.219 8.913 ( 0.000 -9.456 -7.926) 12.338 ======================= Grid point 424 (137/225) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 3.605 20.961 10.688) 23.803 3.122 ( -11.207 16.058 15.798) 25.160 4.244 ( -5.837 -2.407 5.451) 8.342 4.308 ( -2.749 -10.233 5.365) 11.876 4.609 ( 11.013 3.424 17.374) 20.853 4.798 ( -2.351 -1.361 1.278) 3.003 5.249 ( -3.717 -4.291 1.165) 5.796 5.428 ( -4.010 -2.438 7.213) 8.605 6.451 ( 1.225 0.191 16.104) 16.152 6.475 ( 0.639 0.173 16.963) 16.976 6.611 ( 4.003 4.664 13.961) 15.254 7.145 ( -1.221 -8.699 7.624) 11.632 7.731 ( 0.958 3.666 0.375) 3.808 7.791 ( 2.005 4.746 -3.331) 6.135 8.083 ( 0.801 8.472 -3.833) 9.333 8.110 ( -0.280 1.538 -4.627) 4.884 8.347 ( 1.627 -3.049 2.343) 4.175 8.905 ( -0.804 -9.105 -7.432) 11.780 ======================= Grid point 425 (138/225) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -8.889 15.148 12.382) 21.489 3.120 ( 7.380 21.970 8.047) 24.534 4.051 ( -12.633 -1.083 1.788) 12.805 4.280 ( -0.330 -8.971 3.405) 9.601 4.631 ( -8.743 1.012 -0.388) 8.810 4.855 ( 5.421 -0.169 14.568) 15.545 5.145 ( -4.632 -6.356 0.147) 7.867 5.403 ( 2.298 -5.318 11.600) 12.966 6.475 ( -0.348 0.156 16.180) 16.185 6.490 ( 1.955 -0.264 16.279) 16.398 6.710 ( 5.246 5.314 15.568) 17.266 7.111 ( -2.070 -4.624 10.972) 12.085 7.760 ( 1.700 2.372 -0.104) 2.920 7.831 ( 1.612 2.551 -3.731) 4.798 8.100 ( 0.582 4.927 -1.990) 5.346 8.117 ( 1.204 5.557 -5.178) 7.691 8.398 ( 3.448 -3.131 0.913) 4.746 8.877 ( -1.989 -8.172 -6.185) 10.440 ======================= Grid point 426 (139/225) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 1.399 14.342 6.262) 15.712 3.277 ( 5.920 20.171 1.833) 21.101 3.775 ( -11.800 0.224 2.332) 12.030 4.242 ( -6.460 4.911 -2.323) 8.441 4.447 ( -5.092 -9.093 2.831) 10.799 4.792 ( -8.947 0.463 7.988) 12.003 5.194 ( 7.572 -13.880 5.699) 16.807 5.468 ( 2.439 -6.009 11.450) 13.159 6.467 ( -0.140 0.385 16.767) 16.772 6.517 ( 0.465 -0.452 15.734) 15.747 6.817 ( 5.051 5.654 16.697) 18.337 7.062 ( -2.714 -0.268 14.066) 14.328 7.796 ( 1.726 1.145 -0.323) 2.097 7.851 ( 0.299 0.974 -3.285) 3.439 8.116 ( 1.032 4.322 -3.040) 5.384 8.143 ( 0.988 6.224 -3.336) 7.131 8.490 ( 5.389 -3.461 -0.724) 6.445 8.821 ( -3.614 -6.916 -4.693) 9.106 ======================= Grid point 427 (140/225) ======================= q-point: ( 0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 11.292 11.614 -0.081) 16.199 3.205 ( -12.545 11.428 -3.751) 17.379 3.747 ( 9.160 10.653 3.736) 14.537 4.003 ( -13.867 12.903 -1.248) 18.982 4.467 ( 4.760 -11.714 4.600) 13.455 4.605 ( -8.380 -6.513 5.241) 11.837 5.356 ( 7.217 -12.279 7.677) 16.180 5.465 ( -2.963 -9.259 9.263) 13.428 6.478 ( 1.230 0.558 16.783) 16.838 6.507 ( -1.279 0.071 16.188) 16.239 6.915 ( 4.479 4.981 16.876) 18.157 6.998 ( -3.588 3.038 16.025) 16.700 7.827 ( 1.271 0.431 -0.933) 1.634 7.847 ( -0.616 0.359 -2.087) 2.205 8.138 ( 1.014 4.930 -3.158) 5.942 8.152 ( -0.187 5.528 -3.016) 6.301 8.610 ( 6.104 -4.327 -2.096) 7.770 8.729 ( -5.257 -5.570 -3.327) 8.351 ======================= Grid point 432 (141/225) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 0.000 18.731 10.605) 21.524 3.566 ( 0.000 14.911 14.457) 20.769 4.058 ( 0.000 -14.631 8.726) 17.036 4.144 ( 0.000 -11.398 8.544) 14.245 4.721 ( 0.000 15.698 12.119) 19.832 4.857 ( 0.000 3.345 -2.090) 3.944 5.166 ( 0.000 -5.017 5.228) 7.246 5.403 ( 0.000 -7.981 9.699) 12.561 6.457 ( 0.000 0.497 16.501) 16.508 6.465 ( 0.000 0.360 16.996) 17.000 6.669 ( 0.000 5.887 12.190) 13.537 6.964 ( 0.000 -8.785 8.921) 12.520 7.814 ( 0.000 4.428 -0.783) 4.496 7.857 ( 0.000 2.867 -4.323) 5.187 8.133 ( 0.000 0.963 -2.218) 2.419 8.231 ( 0.000 0.229 2.198) 2.210 8.290 ( 0.000 5.701 -5.586) 7.981 8.704 ( 0.000 -10.814 -7.706) 13.279 ======================= Grid point 433 (142/225) ======================= q-point: ( 0.11 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( -3.217 16.417 10.963) 20.001 3.504 ( -2.256 19.274 12.944) 23.327 4.034 ( -2.005 -14.648 7.417) 16.541 4.136 ( -1.631 -9.263 7.762) 12.195 4.720 ( 0.404 6.572 7.819) 10.223 4.824 ( -4.631 2.582 -3.078) 6.131 5.177 ( 1.810 -1.814 8.254) 8.643 5.350 ( -4.937 -5.385 9.742) 12.177 6.454 ( 0.509 0.242 16.130) 16.140 6.474 ( 0.193 -0.312 17.138) 17.142 6.717 ( 4.209 5.665 13.173) 14.945 6.979 ( 1.420 -7.627 10.138) 12.766 7.813 ( -0.009 4.057 -0.784) 4.132 7.864 ( 0.538 2.239 -4.203) 4.793 8.138 ( 0.507 1.455 -2.249) 2.726 8.238 ( 0.662 1.170 1.313) 1.879 8.306 ( 1.591 4.628 -4.573) 6.698 8.704 ( -0.122 -10.468 -7.068) 12.631 ======================= Grid point 434 (143/225) ======================= q-point: ( 0.22 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -7.483 17.680 10.629) 21.944 3.562 ( 6.166 19.993 8.281) 22.501 3.938 ( -8.737 -12.490 4.891) 16.008 4.101 ( -0.051 -5.459 5.147) 7.503 4.652 ( -10.659 0.272 -4.261) 11.482 4.770 ( 4.314 -7.020 4.856) 9.564 5.130 ( -9.655 3.722 5.640) 11.785 5.300 ( 2.234 -4.412 13.337) 14.225 6.472 ( -0.151 -0.344 16.673) 16.677 6.479 ( 1.526 -0.698 15.928) 16.016 6.819 ( 5.364 5.274 15.112) 16.881 7.015 ( 1.927 -4.713 12.941) 13.907 7.815 ( 0.208 2.998 -0.508) 3.047 7.872 ( 0.045 1.049 -3.868) 4.008 8.158 ( 1.507 2.582 -2.367) 3.813 8.255 ( 0.861 2.933 -0.183) 3.062 8.355 ( 3.152 2.201 -2.875) 4.801 8.696 ( -0.795 -9.484 -5.498) 10.991 ======================= Grid point 435 (144/225) ======================= q-point: ( 0.33 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -0.762 17.455 6.245) 18.554 3.666 ( -7.572 11.686 -0.498) 13.934 3.753 ( 3.082 0.458 6.149) 6.894 4.147 ( 4.129 -7.719 4.819) 9.992 4.418 ( -11.163 2.423 -5.264) 12.577 4.854 ( -8.604 -6.898 0.921) 11.066 4.919 ( 2.299 -0.340 10.882) 11.127 5.321 ( -1.417 -8.656 10.566) 13.732 6.474 ( 0.537 0.484 16.577) 16.593 6.506 ( 0.911 -0.709 15.224) 15.268 6.924 ( 4.672 4.763 16.805) 18.081 7.048 ( 0.971 -1.325 15.658) 15.744 7.821 ( 0.419 1.561 -0.381) 1.660 7.865 ( -0.622 0.177 -3.021) 3.089 8.197 ( 2.154 3.783 -2.356) 4.950 8.269 ( 0.393 4.401 -1.225) 4.586 8.433 ( 4.268 -0.755 -1.915) 4.738 8.667 ( -2.106 -7.979 -3.738) 9.059 ======================= Grid point 436 (145/225) ======================= q-point: ( 0.44 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 7.344 13.310 1.674) 15.294 3.407 ( -12.627 7.293 -0.703) 14.599 3.935 ( 10.114 4.734 1.050) 11.216 4.141 ( -8.949 -5.109 -0.922) 10.346 4.340 ( 7.921 6.375 2.601) 10.495 4.577 ( -13.605 5.455 4.586) 15.359 5.077 ( 8.541 -14.019 7.712) 18.137 5.237 ( -6.456 -13.002 8.449) 16.796 6.493 ( 1.133 0.851 15.903) 15.966 6.511 ( -0.440 0.132 15.256) 15.263 7.005 ( 3.110 3.650 17.662) 18.301 7.048 ( -1.033 1.601 17.315) 17.419 7.833 ( 0.697 0.350 -0.904) 1.194 7.849 ( -0.867 -0.122 -1.900) 2.092 8.239 ( 1.819 4.718 -2.124) 5.484 8.266 ( -0.721 5.032 -1.776) 5.385 8.524 ( 4.462 -3.617 -1.801) 6.020 8.608 ( -3.579 -6.026 -2.417) 7.414 ======================= Grid point 441 (146/225) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 0.000 -12.476 12.050) 17.345 3.702 ( 0.000 12.476 12.050) 17.345 3.903 ( 0.000 -10.134 9.500) 13.891 3.903 ( 0.000 10.134 9.500) 13.891 4.916 ( 0.000 -0.006 -3.734) 3.734 4.916 ( 0.000 0.006 -3.734) 3.734 5.192 ( 0.000 -10.021 15.600) 18.541 5.192 ( 0.000 10.021 15.600) 18.541 6.466 ( 0.000 -0.280 16.752) 16.754 6.466 ( 0.000 0.280 16.752) 16.754 6.802 ( 0.000 -7.272 10.741) 12.971 6.802 ( 0.000 7.272 10.741) 12.971 7.876 ( 0.000 -1.191 -3.382) 3.586 7.876 ( 0.000 1.191 -3.382) 3.586 8.169 ( 0.000 -2.854 0.998) 3.023 8.169 ( 0.000 2.854 0.998) 3.023 8.487 ( 0.000 -10.625 -7.186) 12.827 8.487 ( 0.000 10.625 -7.186) 12.827 ======================= Grid point 443 (147/225) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( -3.210 -12.653 11.165) 17.178 3.672 ( -3.210 12.653 11.165) 17.178 3.903 ( 0.663 -11.647 9.197) 14.856 3.903 ( 0.663 11.647 9.197) 14.856 4.827 ( -7.328 -3.202 -3.336) 8.665 4.827 ( -7.328 3.202 -3.336) 8.665 5.223 ( 1.666 -5.997 13.482) 14.850 5.223 ( 1.666 5.997 13.482) 14.850 6.463 ( -0.091 -0.627 16.629) 16.641 6.463 ( -0.091 0.627 16.629) 16.641 6.838 ( 3.256 -6.405 11.916) 13.915 6.838 ( 3.256 6.405 11.916) 13.915 7.874 ( -0.232 -1.452 -3.057) 3.392 7.874 ( -0.232 1.452 -3.057) 3.392 8.181 ( 1.162 -3.036 0.565) 3.299 8.181 ( 1.162 3.036 0.565) 3.299 8.492 ( 0.532 -10.310 -6.469) 12.183 8.492 ( 0.532 10.310 -6.469) 12.183 ======================= Grid point 445 (148/225) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( -5.487 -16.975 8.850) 19.915 3.576 ( -5.487 16.975 8.850) 19.915 3.943 ( 2.880 -11.933 7.152) 14.207 3.943 ( 2.880 11.933 7.152) 14.207 4.665 ( -7.478 -2.325 -3.395) 8.535 4.665 ( -7.478 2.325 -3.395) 8.535 5.218 ( -2.603 -4.187 10.983) 12.039 5.218 ( -2.603 4.187 10.983) 12.039 6.469 ( 0.678 -0.168 16.362) 16.377 6.469 ( 0.678 0.168 16.362) 16.377 6.920 ( 4.392 -4.780 14.314) 15.717 6.920 ( 4.392 4.780 14.314) 15.717 7.866 ( -0.519 -1.633 -2.273) 2.847 7.866 ( -0.519 1.633 -2.273) 2.847 8.216 ( 2.218 -3.213 -0.353) 3.920 8.216 ( 2.218 3.213 -0.353) 3.920 8.505 ( 0.556 -9.215 -4.783) 10.397 8.505 ( 0.556 9.215 -4.783) 10.397 ======================= Grid point 447 (149/225) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( -3.975 -16.180 5.269) 17.474 3.475 ( -3.975 16.180 5.269) 17.474 3.993 ( 1.311 -9.991 2.911) 10.489 3.993 ( 1.311 9.991 2.911) 10.489 4.562 ( -1.781 -12.727 -1.150) 12.902 4.562 ( -1.781 12.727 -1.150) 12.902 5.118 ( -6.700 -11.176 9.376) 16.053 5.118 ( -6.700 11.176 9.376) 16.053 6.489 ( 1.141 -0.923 15.793) 15.861 6.489 ( 1.141 0.923 15.793) 15.861 7.004 ( 3.467 -3.069 16.520) 17.156 7.004 ( 3.467 3.069 16.520) 17.156 7.853 ( -0.660 -1.310 -1.601) 2.171 7.853 ( -0.660 1.310 -1.601) 2.171 8.267 ( 2.593 -2.950 -1.063) 4.069 8.267 ( 2.593 2.950 -1.063) 4.069 8.511 ( 0.036 -6.992 -3.037) 7.623 8.511 ( 0.036 6.992 -3.037) 7.623 ======================= Grid point 449 (150/225) ======================= q-point: ( 0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -1.272 -6.907 2.082) 7.325 3.421 ( -1.272 6.907 2.082) 7.325 3.994 ( -0.516 -5.323 -0.369) 5.361 3.994 ( -0.516 5.323 -0.369) 5.361 4.585 ( 2.496 -11.382 1.052) 11.700 4.585 ( 2.496 11.382 1.052) 11.700 4.981 ( -5.069 -9.173 9.254) 13.982 4.981 ( -5.069 9.173 9.254) 13.982 6.508 ( 0.543 -0.502 15.224) 15.242 6.508 ( 0.543 0.503 15.224) 15.242 7.054 ( 1.295 -1.090 17.850) 17.930 7.054 ( 1.295 1.090 17.850) 17.930 7.842 ( -0.321 -0.507 -1.375) 1.501 7.842 ( -0.321 0.507 -1.375) 1.501 8.310 ( 1.301 -1.440 -1.383) 2.383 8.310 ( 1.301 1.440 -1.383) 2.383 8.508 ( -0.215 -2.879 -1.920) 3.467 8.508 ( -0.215 2.879 -1.920) 3.467 ======================= Grid point 486 (151/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 0.000 0.000 15.029) 15.029 3.178 ( 0.000 0.000 9.090) 9.090 4.501 ( 0.000 0.000 0.073) 0.073 4.551 ( 0.000 0.000 0.904) 0.904 4.684 ( 0.000 0.000 19.837) 19.837 5.210 ( 0.000 0.000 7.476) 7.476 5.354 ( 0.000 0.000 0.684) 0.684 5.452 ( 0.000 0.000 -0.417) 0.417 6.711 ( 0.000 0.000 11.679) 11.679 6.721 ( 0.000 0.000 11.070) 11.070 6.725 ( 0.000 0.000 11.548) 11.548 7.444 ( 0.000 0.000 -4.745) 4.745 7.560 ( 0.000 0.000 0.384) 0.384 7.681 ( 0.000 0.000 2.550) 2.550 7.803 ( 0.000 0.000 0.051) 0.051 7.972 ( 0.000 0.000 -5.665) 5.665 8.468 ( 0.000 0.000 4.082) 4.082 8.978 ( 0.000 0.000 -7.211) 7.211 ======================= Grid point 487 (152/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 2.769 0.000 13.498) 13.779 3.042 ( -11.975 0.000 10.219) 15.743 4.334 ( -10.804 0.000 1.422) 10.897 4.480 ( -7.616 0.000 -0.615) 7.641 4.811 ( 5.966 0.000 12.822) 14.142 5.108 ( -7.378 0.000 4.412) 8.597 5.417 ( 6.301 0.000 3.537) 7.226 5.507 ( 4.064 0.000 3.826) 5.581 6.711 ( 0.881 0.000 11.494) 11.528 6.722 ( 0.120 0.000 11.283) 11.284 6.782 ( 4.228 0.000 11.821) 12.555 7.415 ( -2.684 0.000 -1.225) 2.951 7.568 ( 1.235 0.000 -0.562) 1.357 7.732 ( 4.189 0.000 0.528) 4.222 7.818 ( 1.371 0.000 0.006) 1.371 7.956 ( -1.475 0.000 -5.737) 5.924 8.479 ( 1.112 0.000 3.807) 3.966 8.968 ( -1.044 0.000 -6.907) 6.986 ======================= Grid point 488 (153/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 4.231 0.000 9.084) 10.021 2.765 ( -12.988 0.000 9.432) 16.052 4.105 ( -11.461 0.000 -0.644) 11.479 4.222 ( -16.933 0.000 -3.153) 17.224 4.870 ( 0.413 0.000 6.757) 6.770 4.982 ( -4.480 0.000 3.542) 5.711 5.591 ( 9.460 0.000 7.569) 12.115 5.598 ( 4.839 0.000 6.873) 8.406 6.728 ( 0.522 0.000 11.932) 11.943 6.747 ( 2.577 0.000 11.334) 11.624 6.872 ( 4.017 0.000 12.285) 12.925 7.342 ( -4.247 0.000 3.764) 5.675 7.612 ( 2.842 0.000 -1.999) 3.475 7.828 ( 4.808 0.000 -1.650) 5.083 7.847 ( 0.814 0.000 -0.093) 0.819 7.924 ( -1.011 0.000 -5.856) 5.943 8.515 ( 2.405 0.000 2.852) 3.731 8.934 ( -2.361 0.000 -6.102) 6.542 ======================= Grid point 489 (154/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -3.872 0.000 4.028) 5.587 2.838 ( 1.976 0.000 1.943) 2.772 3.850 ( -17.183 0.000 -1.977) 17.296 3.871 ( -11.041 0.000 -0.294) 11.045 4.860 ( -0.739 0.000 4.006) 4.074 4.914 ( -2.480 0.000 3.228) 4.071 5.702 ( 5.063 0.000 7.914) 9.395 5.758 ( 6.132 0.000 8.289) 10.311 6.747 ( 1.443 0.000 12.890) 12.970 6.806 ( 2.574 0.000 11.756) 12.035 6.941 ( 3.018 0.000 12.036) 12.409 7.245 ( -5.199 0.000 6.863) 8.610 7.676 ( 3.179 0.000 -2.314) 3.932 7.830 ( -1.940 0.000 -2.013) 2.796 7.914 ( 3.335 0.000 -2.790) 4.348 7.935 ( 1.511 0.000 -3.965) 4.243 8.580 ( 3.941 0.000 1.016) 4.070 8.870 ( -3.851 0.000 -4.954) 6.275 ======================= Grid point 490 (155/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 7.047 0.000 -3.115) 7.705 2.792 ( -6.980 0.000 -5.246) 8.731 3.618 ( -3.751 0.000 2.424) 4.466 3.674 ( -7.445 0.000 1.841) 7.669 4.854 ( 0.267 0.000 3.129) 3.141 4.873 ( -1.542 0.000 2.992) 3.366 5.794 ( 3.510 0.000 8.077) 8.807 5.828 ( 0.615 0.000 8.067) 8.090 6.787 ( 2.283 0.000 13.553) 13.744 6.825 ( -0.880 0.000 13.218) 13.247 7.020 ( 4.913 0.000 10.198) 11.319 7.132 ( -5.707 0.000 8.673) 10.383 7.737 ( 2.687 0.000 -2.340) 3.563 7.786 ( -2.238 0.000 -2.435) 3.307 7.960 ( 1.071 0.000 -3.127) 3.305 7.961 ( 0.786 0.000 -3.292) 3.384 8.673 ( 5.049 0.000 -1.342) 5.224 8.778 ( -4.969 0.000 -3.422) 6.034 ======================= Grid point 495 (156/225) ======================= q-point: ( 0.00 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 0.000 14.188 13.481) 19.571 3.272 ( 0.000 8.922 9.236) 12.842 4.502 ( 0.000 -0.236 1.021) 1.048 4.525 ( 0.000 -2.485 1.936) 3.150 4.702 ( 0.000 1.654 17.904) 17.980 5.021 ( 0.000 -12.148 3.855) 12.745 5.411 ( 0.000 -3.480 0.607) 3.532 5.489 ( 0.000 7.223 3.469) 8.013 6.717 ( 0.000 0.541 11.130) 11.143 6.723 ( 0.000 -0.137 11.567) 11.568 6.743 ( 0.000 2.119 11.487) 11.681 7.385 ( 0.000 -5.583 -0.876) 5.651 7.599 ( 0.000 4.019 -1.702) 4.365 7.696 ( 0.000 1.438 2.039) 2.495 7.865 ( 0.000 5.394 -1.341) 5.558 7.990 ( 0.000 1.702 -5.216) 5.486 8.449 ( 0.000 -1.861 3.812) 4.242 8.923 ( 0.000 -5.369 -6.975) 8.803 ======================= Grid point 496 (157/225) ======================= q-point: ( 0.11 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 2.461 13.909 12.078) 18.585 3.135 ( -12.105 8.855 10.419) 18.262 4.325 ( -11.284 -0.540 1.442) 11.389 4.482 ( -5.432 -0.693 0.668) 5.517 4.796 ( 1.879 -1.765 8.295) 8.687 5.044 ( 2.217 -5.590 8.595) 10.490 5.332 ( -2.392 -4.639 0.263) 5.226 5.564 ( 4.473 2.599 6.244) 8.109 6.710 ( 0.561 0.074 10.970) 10.984 6.748 ( 0.678 2.003 12.412) 12.591 6.790 ( 4.562 1.032 11.080) 12.027 7.369 ( -1.488 -4.336 1.007) 4.693 7.613 ( 1.370 4.009 -1.960) 4.668 7.728 ( 2.746 0.357 0.905) 2.913 7.881 ( 1.571 5.300 -1.449) 5.714 7.978 ( -1.056 2.144 -5.038) 5.576 8.460 ( 1.039 -1.927 3.561) 4.180 8.915 ( -0.756 -5.080 -6.664) 8.413 ======================= Grid point 497 (158/225) ======================= q-point: ( 0.22 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -12.943 8.599 9.482) 18.204 2.907 ( 3.652 13.468 8.175) 16.173 4.075 ( -13.328 -1.350 -0.705) 13.415 4.293 ( -12.646 4.701 -2.458) 13.713 4.762 ( -2.639 -8.621 2.968) 9.491 5.027 ( -3.937 3.304 6.599) 8.364 5.406 ( 7.744 -11.698 5.344) 15.012 5.664 ( 5.267 0.410 9.121) 10.541 6.724 ( 0.578 0.106 10.938) 10.954 6.776 ( 2.022 1.646 12.774) 13.037 6.891 ( 4.850 2.224 11.558) 12.730 7.325 ( -2.763 -1.647 4.547) 5.570 7.654 ( 2.551 3.561 -2.388) 4.989 7.788 ( 2.574 -1.328 -0.779) 2.999 7.925 ( 2.503 4.839 -2.075) 5.830 7.957 ( -0.683 3.529 -4.310) 5.612 8.493 ( 2.296 -2.095 2.700) 4.117 8.889 ( -1.911 -4.336 -5.835) 7.516 ======================= Grid point 498 (159/225) ======================= q-point: ( 0.33 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -4.091 8.513 4.536) 10.478 2.967 ( 0.916 12.104 0.993) 12.179 3.795 ( -12.467 -0.730 0.244) 12.491 4.012 ( -13.466 8.845 -2.333) 16.279 4.733 ( -0.151 -10.201 2.653) 10.541 4.926 ( -5.350 -0.564 4.330) 6.906 5.571 ( 7.705 -10.391 6.819) 14.623 5.760 ( 3.397 -1.941 9.202) 9.999 6.738 ( 0.985 -0.322 11.856) 11.901 6.814 ( 1.097 -0.141 12.720) 12.768 6.985 ( 4.450 4.297 11.620) 13.163 7.258 ( -3.756 1.195 7.442) 8.421 7.711 ( 2.815 2.877 -2.344) 4.657 7.816 ( 0.063 -0.931 -1.870) 2.090 7.959 ( 1.145 3.024 -4.100) 5.222 7.976 ( 1.898 4.965 -1.962) 5.666 8.556 ( 3.869 -2.247 1.019) 4.588 8.834 ( -3.423 -3.446 -4.666) 6.735 ======================= Grid point 499 (160/225) ======================= q-point: ( 0.44 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 6.984 8.003 -2.289) 10.866 2.889 ( -8.548 9.014 -5.256) 13.489 3.657 ( 0.274 4.720 2.938) 5.567 3.772 ( -9.527 8.454 0.622) 12.753 4.755 ( 2.272 -8.623 2.875) 9.369 4.824 ( -4.354 -5.203 3.434) 7.604 5.709 ( 5.503 -7.784 7.284) 11.997 5.783 ( -1.382 -4.880 8.034) 9.501 6.770 ( 2.027 -1.095 12.627) 12.835 6.809 ( -1.420 -1.357 12.854) 13.004 7.079 ( 4.689 5.075 10.839) 12.854 7.173 ( -4.436 3.677 9.447) 11.066 7.763 ( 2.210 2.053 -2.180) 3.721 7.800 ( -1.350 0.869 -2.156) 2.688 7.986 ( 1.197 3.028 -3.139) 4.523 7.998 ( 0.209 3.730 -2.609) 4.557 8.649 ( 4.949 -2.382 -1.182) 5.618 8.750 ( -4.706 -2.741 -3.157) 6.294 ======================= Grid point 504 (161/225) ======================= q-point: ( 0.00 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.000 19.623 10.659) 22.331 3.510 ( 0.000 13.818 9.407) 16.716 4.446 ( 0.000 -5.623 4.292) 7.074 4.447 ( 0.000 -7.014 5.269) 8.772 4.755 ( 0.000 3.719 11.248) 11.847 4.818 ( 0.000 -5.849 -1.083) 5.949 5.342 ( 0.000 -2.506 4.660) 5.292 5.592 ( 0.000 2.597 5.131) 5.750 6.723 ( 0.000 0.235 11.602) 11.604 6.729 ( 0.000 0.581 10.693) 10.709 6.801 ( 0.000 3.439 11.242) 11.756 7.249 ( 0.000 -7.291 3.219) 7.970 7.692 ( 0.000 4.347 -4.083) 5.964 7.737 ( 0.000 2.419 0.298) 2.437 8.003 ( 0.000 8.137 -2.434) 8.493 8.036 ( 0.000 2.733 -3.665) 4.572 8.392 ( 0.000 -3.766 3.267) 4.985 8.774 ( 0.000 -8.962 -6.277) 10.942 ======================= Grid point 505 (162/225) ======================= q-point: ( 0.11 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 1.217 18.654 9.276) 20.869 3.384 ( -10.789 15.484 10.809) 21.749 4.316 ( -9.965 -0.688 2.434) 10.281 4.398 ( -3.756 -8.400 3.956) 10.016 4.754 ( -4.980 -1.455 -1.461) 5.390 4.911 ( 9.601 -7.015 9.077) 14.959 5.294 ( -4.836 1.263 3.765) 6.257 5.583 ( 0.268 -0.666 8.015) 8.047 6.713 ( 0.573 0.215 10.897) 10.914 6.771 ( 1.244 0.167 12.964) 13.025 6.844 ( 4.773 4.072 10.005) 11.809 7.260 ( 0.961 -6.020 4.133) 7.365 7.700 ( 0.831 3.957 -3.692) 5.475 7.752 ( 1.346 1.893 -0.445) 2.365 8.009 ( 0.420 6.161 -3.443) 7.070 8.045 ( 1.015 5.319 -2.165) 5.831 8.401 ( 0.907 -3.843 3.027) 4.976 8.774 ( -0.039 -8.529 -5.948) 10.398 ======================= Grid point 506 (163/225) ======================= q-point: ( 0.22 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( -11.536 13.925 8.755) 20.091 3.268 ( 1.830 21.102 7.038) 22.320 4.070 ( -13.537 0.524 0.300) 13.550 4.322 ( -4.063 -4.346 1.015) 6.036 4.596 ( -8.763 -5.447 -2.470) 10.610 5.097 ( 3.181 -1.427 10.049) 10.637 5.155 ( -3.347 -7.410 0.885) 8.179 5.627 ( 3.307 -3.564 10.648) 11.705 6.730 ( 0.687 0.333 10.686) 10.714 6.787 ( 0.622 -0.555 13.158) 13.184 6.967 ( 6.451 4.866 10.711) 13.417 7.280 ( 0.856 -2.633 6.409) 6.982 7.727 ( 1.738 3.179 -3.186) 4.825 7.782 ( 1.334 0.617 -1.362) 2.004 8.021 ( 0.879 4.821 -3.789) 6.195 8.077 ( 1.826 7.767 -0.956) 8.036 8.432 ( 2.174 -3.917 2.303) 5.037 8.767 ( -0.767 -7.398 -5.066) 8.999 ======================= Grid point 507 (164/225) ======================= q-point: ( 0.33 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -4.557 14.652 5.046) 16.153 3.286 ( -2.564 18.275 -0.875) 18.475 3.822 ( -8.068 2.807 2.472) 8.893 4.185 ( -9.590 7.123 -3.238) 12.377 4.487 ( -0.758 -13.218 1.449) 13.319 4.910 ( -11.166 0.009 4.446) 12.018 5.315 ( 9.282 -14.250 6.129) 18.077 5.673 ( 0.359 -6.498 9.143) 11.223 6.739 ( 0.448 0.314 11.215) 11.228 6.795 ( -0.002 -1.356 12.399) 12.473 7.093 ( 5.653 5.775 11.566) 14.109 7.287 ( -0.398 1.402 8.909) 9.027 7.765 ( 1.844 2.197 -2.615) 3.882 7.803 ( 0.662 -0.235 -1.722) 1.860 8.047 ( 1.671 5.482 -3.014) 6.475 8.107 ( 0.879 7.510 -1.090) 7.640 8.493 ( 3.825 -3.808 0.958) 5.482 8.737 ( -2.277 -5.972 -3.852) 7.462 ======================= Grid point 508 (165/225) ======================= q-point: ( 0.44 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 6.132 13.438 -0.686) 14.787 3.122 ( -11.315 13.111 -4.504) 17.894 3.807 ( 5.404 9.305 2.519) 11.052 3.974 ( -9.945 10.342 -1.537) 14.430 4.541 ( 5.410 -11.331 3.111) 12.936 4.695 ( -9.336 -6.032 4.011) 11.817 5.495 ( 7.993 -12.941 6.357) 16.485 5.629 ( -4.625 -10.207 7.230) 13.336 6.756 ( 1.220 -0.213 11.659) 11.725 6.783 ( -1.139 -1.050 11.887) 11.988 7.194 ( 4.132 5.801 11.660) 13.663 7.260 ( -2.254 4.413 10.759) 11.845 7.796 ( 1.075 1.014 -2.101) 2.568 7.808 ( -0.139 0.004 -1.818) 1.824 8.083 ( 1.665 6.127 -2.191) 6.717 8.109 ( -0.665 6.720 -1.540) 6.926 8.583 ( 4.643 -3.931 -0.787) 6.135 8.673 ( -3.913 -4.696 -2.432) 6.579 ======================= Grid point 513 (166/225) ======================= q-point: ( 0.00 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( 0.000 18.236 8.936) 20.308 3.800 ( 0.000 14.301 9.146) 16.975 4.215 ( 0.000 -14.359 7.861) 16.370 4.293 ( 0.000 -9.411 6.738) 11.574 4.793 ( 0.000 1.744 -4.067) 4.425 4.832 ( 0.000 2.683 0.502) 2.730 5.344 ( 0.000 3.309 11.374) 11.845 5.584 ( 0.000 -3.486 8.182) 8.893 6.732 ( 0.000 0.571 11.575) 11.589 6.739 ( 0.000 0.392 10.817) 10.825 6.879 ( 0.000 4.294 9.688) 10.597 7.104 ( 0.000 -6.831 5.631) 8.853 7.761 ( 0.000 2.514 -5.279) 5.847 7.782 ( 0.000 1.677 -2.598) 3.093 8.100 ( 0.000 3.736 -1.066) 3.885 8.181 ( 0.000 8.989 -3.578) 9.675 8.302 ( 0.000 -4.753 3.022) 5.633 8.578 ( 0.000 -9.976 -5.147) 11.225 ======================= Grid point 514 (167/225) ======================= q-point: ( 0.11 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -2.946 16.309 7.868) 18.346 3.736 ( -4.380 18.074 10.293) 21.255 4.159 ( -3.803 -13.888 5.629) 15.461 4.267 ( -4.527 -5.673 5.707) 9.233 4.737 ( -5.039 -0.524 -4.315) 6.654 4.797 ( -2.149 -3.564 0.147) 4.164 5.363 ( -0.102 4.738 9.473) 10.592 5.544 ( -2.502 -3.075 9.410) 10.211 6.721 ( 0.269 0.634 11.126) 11.148 6.763 ( 0.545 -0.889 12.265) 12.310 6.935 ( 5.256 4.702 9.342) 11.705 7.139 ( 3.252 -5.688 6.467) 9.206 7.764 ( 0.416 2.466 -4.662) 5.291 7.790 ( 0.632 1.406 -2.859) 3.248 8.102 ( 0.331 4.307 -1.247) 4.496 8.207 ( 2.057 9.098 -2.566) 9.674 8.308 ( 0.716 -5.171 2.547) 5.809 8.587 ( 0.773 -9.585 -4.822) 10.757 ======================= Grid point 515 (168/225) ======================= q-point: ( 0.22 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -9.529 16.077 7.550) 20.157 3.707 ( 0.890 20.988 6.530) 21.998 4.017 ( -11.424 -9.795 3.422) 15.432 4.179 ( -0.746 -4.372 3.051) 5.383 4.548 ( -11.583 -0.645 -5.727) 12.938 4.835 ( 4.382 -14.376 2.131) 15.179 5.257 ( -9.184 7.575 6.425) 13.528 5.535 ( 0.373 -5.395 10.312) 11.644 6.735 ( 0.779 0.218 11.007) 11.037 6.765 ( 0.003 -1.312 12.449) 12.518 7.067 ( 6.932 4.735 10.305) 13.291 7.222 ( 4.387 -3.104 8.339) 9.920 7.780 ( 1.013 2.108 -3.609) 4.301 7.802 ( 0.447 0.987 -2.630) 2.844 8.120 ( 1.532 4.990 -1.203) 5.357 8.244 ( 1.188 7.895 -0.849) 8.029 8.342 ( 2.819 -4.277 1.143) 5.248 8.603 ( 0.589 -8.519 -3.948) 9.408 ======================= Grid point 516 (169/225) ======================= q-point: ( 0.33 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -5.107 16.883 4.767) 18.271 3.633 ( -11.537 12.371 -2.618) 17.117 3.861 ( 0.720 0.670 4.952) 5.049 4.222 ( 3.014 -9.234 2.652) 10.069 4.318 ( -8.657 5.423 -4.497) 11.161 4.877 ( -5.022 -10.435 1.561) 11.685 5.105 ( -0.564 1.075 7.798) 7.892 5.504 ( -3.819 -10.093 7.879) 13.361 6.746 ( 0.417 0.315 11.149) 11.161 6.769 ( 0.263 -1.058 11.589) 11.640 7.201 ( 5.807 4.625 11.508) 13.694 7.302 ( 2.976 -0.189 10.343) 10.764 7.800 ( 0.778 1.248 -2.429) 2.840 7.807 ( 0.066 0.521 -2.163) 2.226 8.162 ( 2.359 5.496 -1.090) 6.079 8.254 ( -0.059 5.950 -0.407) 5.965 8.417 ( 4.144 -2.790 0.215) 5.000 8.603 ( -0.739 -6.997 -2.766) 7.560 ======================= Grid point 517 (170/225) ======================= q-point: ( 0.44 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 3.656 14.357 0.577) 14.826 3.375 ( -11.261 10.440 -2.377) 15.538 3.944 ( 5.917 1.761 0.186) 6.176 4.093 ( -8.493 -2.296 -3.107) 9.331 4.411 ( 10.418 3.637 3.879) 11.696 4.656 ( -12.809 2.639 3.625) 13.571 5.218 ( 8.117 -12.846 6.285) 16.444 5.384 ( -7.490 -13.441 6.384) 16.659 6.757 ( 0.656 0.215 11.046) 11.068 6.769 ( -0.355 -0.414 11.019) 11.032 7.297 ( 3.371 4.036 12.144) 13.234 7.333 ( -0.089 2.422 11.804) 12.050 7.807 ( 0.063 0.043 -1.790) 1.792 7.808 ( 0.082 0.302 -1.911) 1.936 8.209 ( 2.115 5.817 -0.931) 6.259 8.243 ( -1.098 5.809 -0.690) 5.952 8.502 ( 3.908 -3.603 -0.535) 5.342 8.570 ( -2.561 -5.253 -1.560) 6.049 ======================= Grid point 522 (171/225) ======================= q-point: ( 0.00 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 0.000 -16.177 8.408) 18.232 3.904 ( 0.000 16.177 8.408) 18.232 4.072 ( 0.000 -12.336 8.143) 14.782 4.072 ( 0.000 12.336 8.143) 14.782 4.837 ( 0.000 -1.748 -4.332) 4.671 4.837 ( 0.000 1.748 -4.332) 4.671 5.465 ( 0.000 -7.333 12.057) 14.111 5.465 ( 0.000 7.333 12.057) 14.111 6.742 ( 0.000 -0.221 11.316) 11.318 6.742 ( 0.000 0.221 11.316) 11.318 6.978 ( 0.000 -5.569 7.532) 9.367 6.978 ( 0.000 5.569 7.532) 9.367 7.793 ( 0.000 -0.590 -4.900) 4.935 7.793 ( 0.000 0.590 -4.900) 4.935 8.189 ( 0.000 -4.944 0.840) 5.015 8.189 ( 0.000 4.944 0.840) 5.015 8.380 ( 0.000 -9.516 -3.530) 10.150 8.380 ( 0.000 9.516 -3.530) 10.150 ======================= Grid point 524 (172/225) ======================= q-point: ( 0.11 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( -4.587 -15.061 7.543) 17.458 3.857 ( -4.587 15.061 7.543) 17.458 4.069 ( -0.193 -13.472 8.167) 15.755 4.069 ( -0.193 13.472 8.167) 15.755 4.749 ( -7.460 -1.702 -4.496) 8.875 4.749 ( -7.460 1.702 -4.496) 8.875 5.463 ( -0.805 -4.784 10.597) 11.654 5.463 ( -0.805 4.784 10.597) 11.654 6.740 ( -0.038 -1.206 11.585) 11.648 6.740 ( -0.038 1.206 11.585) 11.648 7.032 ( 4.869 -4.967 8.154) 10.717 7.032 ( 4.869 4.967 8.154) 10.717 7.798 ( 0.414 -0.711 -4.548) 4.622 7.798 ( 0.414 0.711 -4.548) 4.622 8.198 ( 0.848 -5.267 1.048) 5.437 8.198 ( 0.848 5.267 1.048) 5.437 8.395 ( 1.384 -9.365 -3.421) 10.066 8.395 ( 1.384 9.365 -3.421) 10.066 ======================= Grid point 526 (173/225) ======================= q-point: ( 0.22 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( -7.893 -16.048 6.243) 18.942 3.725 ( -7.893 16.048 6.243) 18.942 4.059 ( -1.154 -11.440 4.910) 12.503 4.059 ( -1.154 11.440 4.910) 12.503 4.599 ( -5.543 -7.287 -3.143) 9.680 4.599 ( -5.543 7.287 -3.143) 9.680 5.409 ( -4.660 -7.090 8.261) 11.842 5.409 ( -4.660 7.090 8.261) 11.842 6.743 ( 0.382 -0.704 11.663) 11.690 6.743 ( 0.382 0.704 11.663) 11.690 7.153 ( 6.363 -3.794 9.632) 12.151 7.153 ( 6.363 3.794 9.632) 12.151 7.808 ( 0.502 -0.558 -3.511) 3.590 7.808 ( 0.502 0.558 -3.511) 3.590 8.224 ( 1.594 -5.195 1.053) 5.535 8.224 ( 1.594 5.195 1.053) 5.535 8.431 ( 1.874 -8.460 -2.842) 9.120 8.431 ( 1.874 8.460 -2.842) 9.120 ======================= Grid point 528 (174/225) ======================= q-point: ( 0.33 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( -7.542 -14.147 3.369) 16.381 3.559 ( -7.542 14.147 3.369) 16.381 4.015 ( -2.762 -11.090 -0.221) 11.430 4.015 ( -2.762 11.090 -0.221) 11.430 4.559 ( 1.468 -16.382 0.775) 16.466 4.559 ( 1.468 16.382 0.775) 16.466 5.279 ( -7.506 -11.521 6.875) 15.373 5.279 ( -7.506 11.521 6.875) 15.373 6.754 ( 0.548 -0.527 11.206) 11.232 6.754 ( 0.548 0.527 11.206) 11.232 7.274 ( 5.052 -2.548 11.161) 12.514 7.274 ( 5.052 2.548 11.161) 12.514 7.814 ( -0.014 -0.094 -2.336) 2.338 7.814 ( -0.014 0.094 -2.336) 2.338 8.262 ( 2.000 -4.058 0.454) 4.547 8.262 ( 2.000 4.058 0.454) 4.547 8.464 ( 1.253 -6.352 -1.838) 6.730 8.464 ( 1.253 6.352 -1.838) 6.730 ======================= Grid point 530 (175/225) ======================= q-point: ( 0.44 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( -3.092 -5.606 0.442) 6.417 3.444 ( -3.092 5.606 0.442) 6.417 3.968 ( -1.362 -4.851 -1.864) 5.373 3.968 ( -1.362 4.851 -1.864) 5.373 4.619 ( 2.855 -10.271 2.231) 10.891 4.619 ( 2.855 10.271 2.231) 10.891 5.139 ( -4.718 -7.710 6.707) 11.256 5.139 ( -4.718 7.710 6.707) 11.256 6.763 ( 0.243 -0.272 10.741) 10.747 6.763 ( 0.243 0.272 10.741) 10.747 7.348 ( 1.965 -0.955 12.250) 12.444 7.348 ( 1.965 0.955 12.250) 12.444 7.810 ( -0.210 -0.107 -1.815) 1.830 7.810 ( -0.210 0.107 -1.815) 1.830 8.296 ( 1.021 -1.672 -0.200) 1.969 8.296 ( 1.021 1.672 -0.200) 1.969 8.480 ( 0.337 -2.532 -0.979) 2.735 8.480 ( 0.337 2.532 -0.979) 2.735 ======================= Grid point 567 (176/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 0.000 0.000 12.136) 12.136 3.283 ( 0.000 0.000 1.842) 1.842 4.508 ( 0.000 0.000 0.613) 0.613 4.556 ( 0.000 0.000 -0.340) 0.340 5.009 ( 0.000 0.000 13.535) 13.535 5.311 ( 0.000 0.000 2.810) 2.810 5.372 ( 0.000 0.000 1.149) 1.149 5.441 ( 0.000 0.000 -0.693) 0.693 6.897 ( 0.000 0.000 6.868) 6.868 6.905 ( 0.000 0.000 6.814) 6.814 6.909 ( 0.000 0.000 8.839) 8.839 7.335 ( 0.000 0.000 -6.142) 6.142 7.590 ( 0.000 0.000 2.589) 2.589 7.730 ( 0.000 0.000 2.329) 2.329 7.802 ( 0.000 0.000 -0.180) 0.180 7.861 ( 0.000 0.000 -5.671) 5.671 8.549 ( 0.000 0.000 4.272) 4.272 8.847 ( 0.000 0.000 -6.245) 6.245 ======================= Grid point 568 (177/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -0.136 0.000 10.578) 10.579 3.178 ( -9.907 0.000 3.683) 10.570 4.352 ( -12.247 0.000 0.912) 12.281 4.454 ( -10.146 0.000 -1.839) 10.311 5.005 ( -1.167 0.000 7.142) 7.237 5.158 ( -8.434 0.000 0.956) 8.488 5.500 ( 10.551 0.000 4.666) 11.537 5.577 ( 7.621 0.000 2.950) 8.172 6.894 ( 0.552 0.000 7.242) 7.263 6.901 ( 0.391 0.000 6.921) 6.932 6.976 ( 4.522 0.000 8.198) 9.362 7.349 ( 1.102 0.000 -4.897) 5.019 7.591 ( 0.101 0.000 2.424) 2.426 7.754 ( 2.230 0.000 1.538) 2.709 7.815 ( 1.181 0.000 -0.553) 1.304 7.847 ( -1.338 0.000 -5.227) 5.396 8.556 ( 0.659 0.000 4.081) 4.134 8.842 ( -0.522 0.000 -5.989) 6.012 ======================= Grid point 569 (178/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -1.464 0.000 5.922) 6.100 2.915 ( -14.270 0.000 5.874) 15.432 4.090 ( -12.435 0.000 -0.682) 12.454 4.158 ( -17.275 0.000 -3.138) 17.557 4.965 ( -2.359 0.000 3.434) 4.166 5.028 ( -4.418 0.000 1.339) 4.617 5.719 ( 6.288 0.000 5.144) 8.124 5.724 ( 10.090 0.000 5.527) 11.505 6.916 ( 1.197 0.000 7.275) 7.373 6.925 ( 2.382 0.000 6.833) 7.237 7.072 ( 4.282 0.000 8.333) 9.369 7.364 ( -0.124 0.000 -1.421) 1.427 7.602 ( 1.287 0.000 1.090) 1.687 7.809 ( -2.044 0.000 -4.936) 5.342 7.813 ( 3.211 0.000 -0.035) 3.211 7.849 ( 1.884 0.000 -0.635) 1.988 8.576 ( 1.240 0.000 3.358) 3.579 8.822 ( -1.447 0.000 -5.272) 5.467 ======================= Grid point 570 (179/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -9.326 0.000 3.955) 10.130 2.845 ( -5.525 0.000 -1.068) 5.627 3.824 ( -13.361 0.000 -0.588) 13.374 3.859 ( -9.840 0.000 -0.836) 9.875 4.921 ( -1.641 0.000 2.433) 2.935 4.959 ( -2.598 0.000 1.455) 2.977 5.838 ( 5.300 0.000 5.835) 7.883 5.889 ( 5.759 0.000 4.863) 7.538 6.952 ( 2.246 0.000 7.994) 8.304 6.987 ( 3.312 0.000 6.749) 7.518 7.136 ( 2.010 0.000 8.069) 8.316 7.332 ( -2.894 0.000 2.088) 3.569 7.644 ( 2.511 0.000 -0.760) 2.624 7.768 ( -1.883 0.000 -3.897) 4.328 7.875 ( 2.651 0.000 -1.210) 2.914 7.888 ( 1.798 0.000 -1.215) 2.170 8.608 ( 1.948 0.000 1.831) 2.674 8.781 ( -2.583 0.000 -4.143) 4.882 ======================= Grid point 571 (180/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 1.473 0.000 -1.389) 2.025 2.691 ( -8.333 0.000 -4.859) 9.646 3.661 ( -2.450 0.000 1.932) 3.120 3.699 ( -5.398 0.000 0.779) 5.454 4.903 ( -0.086 0.000 1.974) 1.976 4.918 ( -1.451 0.000 1.623) 2.177 5.928 ( 3.189 0.000 5.508) 6.365 5.956 ( 0.768 0.000 4.883) 4.943 7.003 ( 2.522 0.000 8.571) 8.934 7.033 ( 0.355 0.000 8.006) 8.014 7.176 ( 2.825 0.000 5.989) 6.622 7.255 ( -4.283 0.000 4.020) 5.874 7.694 ( 2.182 0.000 -1.892) 2.888 7.732 ( -1.676 0.000 -2.866) 3.320 7.914 ( 1.017 0.000 -1.556) 1.859 7.916 ( 0.755 0.000 -1.473) 1.655 8.657 ( 2.822 0.000 -0.363) 2.845 8.720 ( -3.195 0.000 -2.518) 4.068 ======================= Grid point 576 (181/225) ======================= q-point: ( 0.00 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 0.000 12.064 11.173) 16.443 3.382 ( 0.000 9.316 2.134) 9.557 4.521 ( 0.000 1.195 0.894) 1.492 4.547 ( 0.000 -0.843 0.488) 0.975 4.974 ( 0.000 -3.579 9.809) 10.441 5.077 ( 0.000 -14.020 2.126) 14.180 5.438 ( 0.000 0.164 2.232) 2.238 5.542 ( 0.000 7.951 1.627) 8.116 6.887 ( 0.000 -0.266 6.676) 6.682 6.902 ( 0.000 -0.174 6.753) 6.756 6.944 ( 0.000 2.530 8.823) 9.178 7.332 ( 0.000 -0.956 -4.401) 4.504 7.595 ( 0.000 0.781 1.351) 1.561 7.728 ( 0.000 -0.178 0.859) 0.877 7.849 ( 0.000 4.465 -0.461) 4.489 7.894 ( 0.000 3.164 -4.278) 5.321 8.525 ( 0.000 -2.392 3.931) 4.602 8.797 ( 0.000 -4.734 -5.836) 7.514 ======================= Grid point 577 (182/225) ======================= q-point: ( 0.11 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -0.383 11.814 9.595) 15.224 3.277 ( -9.868 9.473 4.127) 14.288 4.341 ( -13.251 -0.465 0.484) 13.268 4.481 ( -7.886 1.709 -0.535) 8.087 4.885 ( -5.046 -9.282 2.129) 10.777 5.210 ( 2.305 0.545 7.208) 7.587 5.341 ( 1.091 -7.278 0.599) 7.384 5.677 ( 7.704 4.206 4.870) 10.038 6.881 ( 0.303 -0.296 6.616) 6.630 6.941 ( 1.764 2.766 7.011) 7.740 6.978 ( 3.944 0.200 8.479) 9.354 7.345 ( 1.124 -0.803 -3.283) 3.562 7.602 ( 0.756 1.228 1.007) 1.759 7.741 ( 1.135 -0.759 -0.011) 1.365 7.855 ( 0.499 3.779 -1.576) 4.125 7.897 ( 0.481 4.583 -2.624) 5.303 8.532 ( 0.656 -2.403 3.782) 4.529 8.795 ( -0.253 -4.465 -5.607) 7.172 ======================= Grid point 578 (183/225) ======================= q-point: ( 0.22 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -11.085 8.347 5.287) 14.849 3.049 ( -5.017 12.577 6.079) 14.843 4.055 ( -13.917 -1.035 -1.122) 14.000 4.244 ( -13.933 5.585 -2.374) 15.197 4.799 ( -2.925 -11.402 1.126) 11.825 5.118 ( -6.190 4.475 3.000) 8.206 5.506 ( 9.428 -12.911 4.456) 16.597 5.820 ( 5.983 1.783 6.403) 8.943 6.895 ( 0.934 -0.416 6.516) 6.596 6.980 ( 2.176 2.965 7.903) 8.717 7.077 ( 4.920 0.829 7.699) 9.175 7.365 ( 0.445 0.029 -0.419) 0.612 7.628 ( 1.898 2.160 0.029) 2.875 7.763 ( 0.713 -1.454 -2.125) 2.672 7.869 ( 1.049 3.408 -2.274) 4.229 7.920 ( 1.544 6.092 -0.613) 6.315 8.551 ( 1.277 -2.373 3.190) 4.176 8.783 ( -1.015 -3.760 -4.949) 6.298 ======================= Grid point 579 (184/225) ======================= q-point: ( 0.33 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -9.228 8.993 4.154) 13.538 2.960 ( -6.430 10.843 -1.599) 12.707 3.803 ( -9.456 0.924 0.571) 9.518 3.971 ( -11.722 7.589 -1.854) 14.087 4.770 ( 0.060 -11.090 1.350) 11.172 4.991 ( -6.020 0.034 2.455) 6.501 5.685 ( 7.950 -11.346 4.656) 14.616 5.909 ( 2.389 -1.501 5.794) 6.444 6.921 ( 1.700 -1.196 6.889) 7.196 7.019 ( 1.154 0.396 8.155) 8.246 7.167 ( 3.964 3.702 7.180) 8.999 7.355 ( -1.410 2.193 2.585) 3.671 7.677 ( 2.570 2.535 -0.972) 3.739 7.766 ( -0.295 -0.084 -2.989) 3.005 7.902 ( 2.013 3.147 -1.721) 4.113 7.950 ( 1.201 5.613 -0.770) 5.792 8.585 ( 2.033 -2.228 1.838) 3.532 8.751 ( -2.175 -2.906 -3.878) 5.312 ======================= Grid point 580 (185/225) ======================= q-point: ( 0.44 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 1.470 9.044 -0.982) 9.215 2.789 ( -8.808 9.290 -4.718) 13.644 3.705 ( -0.072 4.839 2.000) 5.236 3.779 ( -6.794 7.009 0.149) 9.763 4.799 ( 2.706 -8.635 1.727) 9.213 4.878 ( -4.849 -4.684 2.130) 7.070 5.828 ( 5.770 -8.728 4.718) 11.478 5.911 ( -2.131 -5.299 4.994) 7.587 6.966 ( 2.559 -2.152 7.455) 8.170 7.013 ( -1.634 -2.108 7.971) 8.405 7.245 ( 3.603 5.787 6.230) 9.235 7.311 ( -2.786 4.748 4.771) 7.285 7.724 ( 1.919 2.260 -1.681) 3.408 7.753 ( -0.969 1.465 -2.414) 2.985 7.942 ( 1.619 3.389 -1.499) 4.044 7.961 ( -0.210 4.423 -1.207) 4.590 8.635 ( 2.835 -2.092 -0.224) 3.530 8.697 ( -2.987 -2.275 -2.303) 4.405 ======================= Grid point 585 (186/225) ======================= q-point: ( 0.00 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( 0.000 17.461 9.211) 19.741 3.628 ( 0.000 14.080 2.695) 14.335 4.515 ( 0.000 -2.797 2.855) 3.997 4.536 ( 0.000 -1.221 3.606) 3.807 4.799 ( 0.000 -11.691 -0.354) 11.696 4.876 ( 0.000 -5.341 1.923) 5.677 5.468 ( 0.000 2.958 7.378) 7.949 5.666 ( 0.000 4.246 2.211) 4.787 6.887 ( 0.000 0.239 6.054) 6.058 6.902 ( 0.000 0.180 6.649) 6.652 6.999 ( 0.000 2.680 8.643) 9.049 7.281 ( 0.000 -3.987 -0.189) 3.992 7.625 ( 0.000 1.956 -2.137) 2.897 7.724 ( 0.000 -0.261 -1.786) 1.805 7.973 ( 0.000 7.462 -0.869) 7.512 7.980 ( 0.000 5.086 -1.871) 5.420 8.456 ( 0.000 -4.304 3.231) 5.382 8.667 ( 0.000 -7.778 -4.692) 9.083 ======================= Grid point 586 (187/225) ======================= q-point: ( 0.11 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -2.000 16.264 7.273) 17.928 3.541 ( -7.799 16.159 5.298) 18.708 4.348 ( -13.116 1.067 0.918) 13.191 4.468 ( -5.528 -5.141 3.190) 8.195 4.704 ( -6.921 -6.404 -2.991) 9.892 5.026 ( 9.285 -13.003 3.125) 16.280 5.384 ( -6.894 6.234 4.624) 10.381 5.722 ( 4.213 0.435 5.859) 7.230 6.881 ( 0.507 0.220 6.384) 6.408 6.974 ( 4.176 -0.367 7.519) 8.609 7.010 ( 2.129 3.554 7.263) 8.362 7.306 ( 2.300 -2.955 0.493) 3.777 7.636 ( 1.106 1.916 -2.107) 3.055 7.731 ( 0.662 -0.292 -2.063) 2.187 7.960 ( -0.082 6.180 -1.445) 6.348 8.018 ( 2.339 7.119 -0.773) 7.533 8.462 ( 0.607 -4.409 3.123) 5.437 8.672 ( 0.411 -7.381 -4.527) 8.669 ======================= Grid point 587 (188/225) ======================= q-point: ( 0.22 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -11.045 13.281 5.033) 17.992 3.390 ( -5.470 20.108 5.220) 21.482 4.069 ( -12.880 2.229 -0.233) 13.073 4.324 ( -8.757 0.593 -0.642) 8.800 4.553 ( -5.820 -11.387 -1.670) 12.897 5.175 ( -3.193 -6.918 1.033) 7.689 5.250 ( 2.528 -3.429 5.682) 7.102 5.801 ( 2.799 -3.312 6.912) 8.159 6.896 ( 0.719 0.333 6.272) 6.321 6.999 ( 0.155 -1.127 8.521) 8.597 7.132 ( 7.272 4.469 6.294) 10.605 7.363 ( 2.894 -0.325 2.047) 3.559 7.671 ( 2.209 1.871 -1.923) 3.475 7.748 ( 0.951 -0.169 -2.304) 2.499 7.972 ( 1.234 6.496 -1.237) 6.727 8.065 ( 2.008 7.980 -0.337) 8.236 8.482 ( 1.438 -4.381 2.766) 5.377 8.679 ( 0.067 -6.340 -4.034) 7.515 ======================= Grid point 588 (189/225) ======================= q-point: ( 0.33 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -8.728 14.607 4.198) 17.526 3.249 ( -9.391 16.693 -2.661) 19.338 3.871 ( -5.360 5.383 2.532) 8.007 4.122 ( -9.951 6.463 -3.102) 12.264 4.509 ( 1.320 -13.978 0.894) 14.068 4.978 ( -10.965 -0.631 2.594) 11.285 5.418 ( 9.080 -14.216 4.158) 17.373 5.817 ( -1.460 -7.314 5.524) 9.281 6.911 ( 0.855 -0.010 6.388) 6.444 6.994 ( -0.722 -2.122 7.806) 8.121 7.272 ( 6.060 5.793 6.875) 10.842 7.411 ( 1.578 2.937 3.888) 5.122 7.720 ( 2.333 1.611 -1.634) 3.272 7.766 ( 0.697 0.093 -2.055) 2.172 8.008 ( 2.147 6.881 -1.110) 7.293 8.093 ( 0.603 7.942 -0.427) 7.976 8.522 ( 2.371 -3.927 1.802) 4.928 8.669 ( -1.104 -5.017 -3.136) 6.018 ======================= Grid point 589 (190/225) ======================= q-point: ( 0.44 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 1.207 14.590 -0.159) 14.641 3.037 ( -9.612 14.288 -4.065) 17.694 3.848 ( 2.340 8.249 1.681) 8.738 3.945 ( -6.903 8.214 -1.402) 10.820 4.592 ( 6.426 -10.591 2.055) 12.557 4.761 ( -9.769 -5.468 2.676) 11.510 5.598 ( 8.181 -13.548 3.996) 16.323 5.742 ( -5.644 -11.093 4.355) 13.187 6.935 ( 1.550 -0.900 6.699) 6.934 6.969 ( -1.594 -1.925 7.139) 7.564 7.373 ( 3.661 6.300 6.713) 9.907 7.420 ( -0.892 5.438 5.620) 7.871 7.758 ( 1.322 1.012 -1.516) 2.252 7.773 ( -0.114 0.451 -1.695) 1.757 8.054 ( 2.133 7.150 -0.933) 7.519 8.088 ( -1.046 7.483 -0.676) 7.586 8.577 ( 2.877 -3.561 0.091) 4.579 8.633 ( -2.387 -3.931 -1.735) 4.916 ======================= Grid point 594 (191/225) ======================= q-point: ( 0.00 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 0.000 16.931 7.463) 18.503 3.916 ( 0.000 13.572 2.782) 13.854 4.375 ( 0.000 -13.056 8.398) 15.524 4.410 ( 0.000 -7.784 5.348) 9.444 4.707 ( 0.000 1.046 -4.569) 4.687 4.792 ( 0.000 -2.738 -3.838) 4.714 5.553 ( 0.000 5.176 9.276) 10.622 5.708 ( 0.000 -0.304 4.289) 4.300 6.897 ( 0.000 0.728 5.804) 5.850 6.909 ( 0.000 0.372 6.506) 6.516 7.049 ( 0.000 2.295 7.362) 7.712 7.187 ( 0.000 -4.799 2.827) 5.570 7.664 ( 0.000 1.749 -4.257) 4.602 7.715 ( 0.000 -0.679 -3.982) 4.040 8.091 ( 0.000 5.645 -0.035) 5.646 8.131 ( 0.000 7.511 -1.750) 7.713 8.360 ( 0.000 -4.745 2.771) 5.495 8.500 ( 0.000 -8.368 -3.034) 8.900 ======================= Grid point 595 (192/225) ======================= q-point: ( 0.11 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -4.981 15.271 5.387) 16.942 3.894 ( -2.144 17.421 5.736) 18.466 4.264 ( -6.478 -12.805 5.172) 15.254 4.361 ( -8.636 -1.160 3.929) 9.558 4.645 ( -6.790 -1.099 -4.736) 8.351 4.779 ( 1.607 -10.205 -1.597) 10.453 5.516 ( -4.757 6.398 5.977) 9.964 5.701 ( 0.120 -2.381 6.391) 6.821 6.891 ( 0.519 0.846 6.401) 6.477 6.953 ( 1.590 -1.599 7.275) 7.616 7.086 ( 4.654 3.840 6.032) 8.532 7.237 ( 4.441 -3.632 3.588) 6.766 7.674 ( 1.053 1.770 -3.991) 4.491 7.724 ( 0.890 -0.515 -3.791) 3.928 8.090 ( 0.439 6.446 -0.112) 6.462 8.172 ( 3.096 7.577 -1.102) 8.259 8.360 ( 0.176 -5.308 2.560) 5.896 8.513 ( 1.111 -8.076 -2.943) 8.668 ======================= Grid point 596 (193/225) ======================= q-point: ( 0.22 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( -9.855 15.045 4.445) 18.527 3.810 ( -7.287 19.701 3.714) 21.331 4.085 ( -10.823 -5.725 3.894) 12.848 4.225 ( -0.754 -4.089 1.689) 4.488 4.435 ( -11.835 -0.971 -5.720) 13.181 4.867 ( 5.201 -16.949 1.290) 17.776 5.361 ( -9.204 8.067 4.086) 12.903 5.697 ( -1.446 -6.804 6.162) 9.293 6.905 ( 0.606 0.596 6.370) 6.427 6.961 ( -0.289 -2.176 7.546) 7.858 7.227 ( 7.920 4.468 6.173) 10.991 7.347 ( 5.762 -1.369 4.539) 7.462 7.707 ( 2.035 1.722 -3.222) 4.182 7.748 ( 1.284 -0.087 -3.007) 3.271 8.112 ( 1.664 7.016 0.184) 7.213 8.230 ( 2.063 8.137 -0.508) 8.409 8.378 ( 1.847 -5.837 2.130) 6.483 8.539 ( 1.259 -7.255 -2.716) 7.849 ======================= Grid point 597 (194/225) ======================= q-point: ( 0.33 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -8.168 16.070 3.597) 18.382 3.574 ( -13.867 13.235 -3.218) 19.437 3.950 ( -2.580 -0.253 4.190) 4.927 4.196 ( -9.147 -6.425 -4.318) 11.983 4.301 ( 5.767 4.435 1.847) 7.506 4.910 ( -4.013 -10.914 1.626) 11.741 5.223 ( -1.021 0.399 4.389) 4.523 5.625 ( -5.495 -11.303 4.541) 13.363 6.915 ( 0.420 0.351 6.221) 6.245 6.952 ( -0.500 -1.774 6.991) 7.230 7.379 ( 6.490 4.474 6.890) 10.470 7.455 ( 4.368 1.008 5.426) 7.038 7.747 ( 1.671 1.238 -2.235) 3.053 7.770 ( 0.779 0.219 -1.912) 2.076 8.154 ( 2.294 7.066 0.136) 7.431 8.249 ( -0.047 6.829 -0.200) 6.832 8.434 ( 3.299 -4.234 1.360) 5.537 8.556 ( 0.252 -5.970 -2.122) 6.341 ======================= Grid point 598 (195/225) ======================= q-point: ( 0.44 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 0.048 14.878 0.410) 14.884 3.323 ( -9.297 12.672 -2.663) 15.940 3.949 ( 2.164 -0.268 0.342) 2.207 4.034 ( -6.141 -1.893 -2.722) 6.979 4.479 ( 10.712 3.218 2.915) 11.559 4.718 ( -11.927 1.265 2.607) 12.274 5.316 ( 7.599 -12.436 3.766) 15.053 5.483 ( -8.013 -13.870 3.717) 16.444 6.925 ( 0.646 -0.170 6.212) 6.248 6.940 ( -0.700 -1.011 6.436) 6.553 7.483 ( 3.419 4.266 6.997) 8.880 7.511 ( 0.772 3.161 6.455) 7.229 7.770 ( 0.666 0.348 -1.526) 1.701 7.778 ( -0.029 0.133 -1.357) 1.364 8.200 ( 2.103 6.744 -0.098) 7.065 8.235 ( -1.227 6.393 -0.192) 6.512 8.500 ( 2.849 -3.706 0.234) 4.680 8.545 ( -1.420 -4.571 -1.058) 4.902 ======================= Grid point 603 (196/225) ======================= q-point: ( 0.00 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.028 ( 0.000 -11.348 4.347) 12.152 4.028 ( 0.000 11.348 4.347) 12.152 4.228 ( 0.000 -7.580 7.625) 10.751 4.228 ( 0.000 7.580 7.625) 10.751 4.747 ( 0.000 -2.181 -4.811) 5.283 4.747 ( 0.000 2.181 -4.811) 5.283 5.656 ( 0.000 -4.412 7.433) 8.644 5.656 ( 0.000 4.412 7.433) 8.644 6.910 ( 0.000 -0.370 6.138) 6.149 6.910 ( 0.000 0.370 6.138) 6.149 7.102 ( 0.000 -3.358 5.133) 6.134 7.102 ( 0.000 3.358 5.133) 6.134 7.695 ( 0.000 -1.301 -4.826) 4.998 7.695 ( 0.000 1.301 -4.826) 4.998 8.194 ( 0.000 -3.466 -0.272) 3.477 8.194 ( 0.000 3.466 -0.272) 3.477 8.346 ( 0.000 -5.788 -0.323) 5.797 8.346 ( 0.000 5.788 -0.323) 5.797 ======================= Grid point 605 (197/225) ======================= q-point: ( 0.11 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.967 ( -5.403 -13.681 3.804) 15.193 3.967 ( -5.403 13.681 3.804) 15.193 4.228 ( -1.038 -11.829 8.001) 14.319 4.228 ( -1.038 11.829 8.001) 14.319 4.653 ( -7.476 -2.661 -5.280) 9.531 4.653 ( -7.476 2.661 -5.280) 9.531 5.630 ( -2.786 -4.646 6.396) 8.382 5.630 ( -2.786 4.646 6.396) 8.382 6.917 ( 0.460 -1.715 6.642) 6.875 6.917 ( 0.460 1.715 6.642) 6.875 7.163 ( 5.549 -3.750 5.222) 8.493 7.163 ( 5.549 3.750 5.222) 8.493 7.706 ( 1.092 -1.310 -4.510) 4.822 7.706 ( 1.092 1.310 -4.510) 4.822 8.214 ( 1.667 -5.320 0.430) 5.592 8.214 ( 1.667 5.320 0.430) 5.592 8.356 ( 1.018 -6.930 -0.812) 7.051 8.356 ( 1.018 6.930 -0.812) 7.051 ======================= Grid point 607 (198/225) ======================= q-point: ( 0.22 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( -9.043 -14.774 3.398) 17.652 3.819 ( -9.043 14.774 3.398) 17.652 4.139 ( -7.328 -9.576 3.332) 12.510 4.139 ( -7.328 9.576 3.332) 12.510 4.547 ( -1.249 -12.863 -2.127) 13.097 4.547 ( -1.249 12.863 -2.127) 13.097 5.537 ( -6.275 -8.744 4.768) 11.771 5.537 ( -6.275 8.744 4.768) 11.771 6.924 ( 0.174 -1.355 6.787) 6.923 6.924 ( 0.174 1.355 6.787) 6.923 7.303 ( 7.449 -3.001 5.858) 9.941 7.303 ( 7.449 3.001 5.858) 9.941 7.737 ( 1.753 -1.093 -3.533) 4.093 7.737 ( 1.753 1.093 -3.533) 4.093 8.250 ( 1.641 -6.597 1.449) 6.951 8.250 ( 1.641 6.597 1.449) 6.951 8.390 ( 2.191 -7.536 -1.476) 7.986 8.390 ( 2.191 7.536 -1.476) 7.986 ======================= Grid point 609 (199/225) ======================= q-point: ( 0.33 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( -10.446 -10.851 1.714) 15.159 3.608 ( -10.446 10.851 1.714) 15.159 4.000 ( -5.168 -8.813 -1.054) 10.271 4.000 ( -5.168 8.813 -1.054) 10.271 4.583 ( 3.784 -17.759 1.475) 18.217 4.583 ( 3.784 17.759 1.475) 18.217 5.384 ( -8.074 -11.719 3.878) 14.750 5.384 ( -8.074 11.719 3.878) 14.750 6.926 ( 0.068 -0.853 6.417) 6.474 6.926 ( 0.068 0.853 6.417) 6.474 7.445 ( 5.996 -1.970 6.498) 9.059 7.445 ( 5.996 1.970 6.498) 9.059 7.768 ( 1.031 -0.601 -2.227) 2.526 7.768 ( 1.031 0.601 -2.227) 2.526 8.279 ( 1.214 -4.677 1.120) 4.961 8.279 ( 1.214 4.677 1.120) 4.961 8.436 ( 2.091 -5.284 -1.079) 5.784 8.436 ( 2.091 5.284 -1.079) 5.784 ======================= Grid point 611 (200/225) ======================= q-point: ( 0.44 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( -4.511 -3.723 -0.294) 5.856 3.444 ( -4.511 3.723 -0.294) 5.856 3.933 ( -1.523 -3.198 -1.581) 3.879 3.933 ( -1.523 3.198 -1.581) 3.879 4.664 ( 2.959 -9.496 2.144) 10.175 4.664 ( 2.959 9.496 2.144) 10.175 5.241 ( -4.572 -7.077 3.766) 9.229 5.241 ( -4.572 7.077 3.766) 9.229 6.927 ( 0.020 -0.321 6.090) 6.099 6.927 ( 0.020 0.321 6.090) 6.099 7.536 ( 2.476 -0.797 6.991) 7.460 7.536 ( 2.476 0.797 6.991) 7.460 7.777 ( 0.029 -0.257 -1.445) 1.468 7.777 ( 0.029 0.257 -1.445) 1.468 8.298 ( 0.545 -1.631 0.324) 1.750 8.298 ( 0.545 1.631 0.324) 1.750 8.467 ( 0.790 -1.876 -0.433) 2.081 8.467 ( 0.790 1.876 -0.433) 2.081 ======================= Grid point 648 (201/225) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 0.000 0.000 8.698) 8.698 3.258 ( 0.000 0.000 -4.166) 4.166 4.523 ( 0.000 0.000 0.945) 0.945 4.542 ( 0.000 0.000 -0.925) 0.925 5.217 ( 0.000 0.000 7.800) 7.800 5.316 ( 0.000 0.000 -2.362) 2.362 5.397 ( 0.000 0.000 1.419) 1.419 5.423 ( 0.000 0.000 -1.160) 1.160 6.988 ( 0.000 0.000 2.441) 2.441 6.992 ( 0.000 0.000 2.103) 2.103 7.067 ( 0.000 0.000 7.523) 7.523 7.207 ( 0.000 0.000 -6.890) 6.890 7.658 ( 0.000 0.000 4.257) 4.257 7.753 ( 0.000 0.000 -5.302) 5.302 7.769 ( 0.000 0.000 1.639) 1.639 7.793 ( 0.000 0.000 -0.808) 0.808 8.636 ( 0.000 0.000 4.672) 4.672 8.734 ( 0.000 0.000 -5.337) 5.337 ======================= Grid point 649 (202/225) ======================= q-point: ( 0.11 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -3.246 0.000 6.975) 7.693 3.190 ( -6.645 0.000 -2.241) 7.013 4.377 ( -12.724 0.000 1.610) 12.826 4.414 ( -12.000 0.000 -2.116) 12.185 5.106 ( -5.684 0.000 3.577) 6.715 5.153 ( -7.749 0.000 -1.354) 7.866 5.580 ( 11.584 0.000 3.037) 11.975 5.609 ( 10.110 0.000 0.126) 10.111 6.990 ( 0.325 0.000 2.478) 2.499 6.991 ( 0.424 0.000 2.327) 2.365 7.117 ( 4.146 0.000 6.617) 7.808 7.240 ( 2.905 0.000 -5.999) 6.665 7.653 ( -0.415 0.000 3.913) 3.935 7.741 ( -0.996 0.000 -4.916) 5.016 7.784 ( 1.398 0.000 1.440) 2.007 7.807 ( 1.191 0.000 -0.879) 1.480 8.640 ( 0.290 0.000 4.491) 4.500 8.733 ( -0.086 0.000 -5.130) 5.131 ======================= Grid point 650 (203/225) ======================= q-point: ( 0.22 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -7.297 0.000 2.125) 7.600 2.993 ( -12.105 0.000 1.979) 12.265 4.085 ( -14.026 0.000 0.331) 14.029 4.107 ( -16.015 0.000 -1.936) 16.131 5.015 ( -3.460 0.000 1.833) 3.916 5.037 ( -4.038 0.000 -0.384) 4.057 5.791 ( 7.636 0.000 2.107) 7.921 5.796 ( 9.055 0.000 1.714) 9.216 7.012 ( 1.651 0.000 2.489) 2.987 7.014 ( 2.015 0.000 2.235) 3.009 7.208 ( 4.033 0.000 5.812) 7.074 7.305 ( 2.762 0.000 -4.180) 5.010 7.645 ( -0.228 0.000 3.041) 3.050 7.717 ( -1.198 0.000 -4.268) 4.433 7.822 ( 2.090 0.000 0.779) 2.230 7.837 ( 1.653 0.000 -0.712) 1.800 8.646 ( 0.276 0.000 3.848) 3.858 8.727 ( -0.590 0.000 -4.484) 4.523 ======================= Grid point 651 (204/225) ======================= q-point: ( 0.33 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -11.701 0.000 3.814) 12.307 2.803 ( -10.473 0.000 -3.029) 10.903 3.825 ( -10.481 0.000 0.537) 10.495 3.841 ( -9.437 0.000 -0.976) 9.487 4.958 ( -2.071 0.000 1.354) 2.475 4.973 ( -2.405 0.000 -0.063) 2.405 5.924 ( 5.327 0.000 2.851) 6.042 5.945 ( 5.426 0.000 0.832) 5.489 7.059 ( 2.912 0.000 3.031) 4.203 7.071 ( 3.349 0.000 1.860) 3.831 7.262 ( 1.074 0.000 4.947) 5.063 7.331 ( -0.481 0.000 -1.997) 2.054 7.650 ( 0.776 0.000 1.420) 1.618 7.696 ( -0.750 0.000 -3.157) 3.244 7.865 ( 1.998 0.000 0.053) 1.998 7.872 ( 1.641 0.000 -0.580) 1.741 8.651 ( 0.229 0.000 2.547) 2.557 8.708 ( -1.252 0.000 -3.321) 3.549 ======================= Grid point 652 (205/225) ======================= q-point: ( 0.44 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 7.45e-05 7.45e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -3.350 0.000 0.912) 3.472 2.610 ( -6.838 0.000 -3.210) 7.554 3.691 ( -2.697 0.000 1.127) 2.922 3.705 ( -3.777 0.000 -0.209) 3.783 4.931 ( -0.536 0.000 0.899) 1.047 4.937 ( -1.054 0.000 0.350) 1.111 6.005 ( 2.397 0.000 2.305) 3.325 6.016 ( 1.452 0.000 1.248) 1.915 7.122 ( 2.684 0.000 3.456) 4.376 7.135 ( 2.008 0.000 2.249) 3.015 7.262 ( -0.126 0.000 2.990) 2.993 7.293 ( -2.602 0.000 0.001) 2.602 7.670 ( 0.943 0.000 -0.315) 0.994 7.685 ( -0.507 0.000 -1.749) 1.821 7.896 ( 0.904 0.000 -0.319) 0.958 7.898 ( 0.724 0.000 -0.452) 0.853 8.659 ( 0.682 0.000 0.587) 0.900 8.680 ( -1.317 0.000 -1.568) 2.048 ======================= Grid point 657 (206/225) ======================= q-point: ( 0.00 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 0.000 10.736 8.117) 13.460 3.364 ( 0.000 9.903 -3.785) 10.602 4.537 ( 0.000 1.333 0.715) 1.512 4.548 ( 0.000 0.530 -0.337) 0.628 5.092 ( 0.000 -10.004 2.729) 10.370 5.106 ( 0.000 -13.400 0.742) 13.421 5.496 ( 0.000 5.093 3.263) 6.048 5.545 ( 0.000 7.450 -1.371) 7.575 6.980 ( 0.000 -0.536 2.694) 2.747 6.987 ( 0.000 -0.322 1.952) 1.978 7.096 ( 0.000 2.310 7.003) 7.375 7.225 ( 0.000 1.300 -6.203) 6.338 7.644 ( 0.000 -1.162 3.381) 3.575 7.710 ( 0.000 -2.063 -2.761) 3.446 7.842 ( 0.000 4.538 -0.326) 4.550 7.842 ( 0.000 5.000 -0.860) 5.073 8.604 ( 0.000 -3.073 4.254) 5.248 8.693 ( 0.000 -3.894 -4.877) 6.241 ======================= Grid point 658 (207/225) ======================= q-point: ( 0.11 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -3.933 10.005 5.815) 12.222 3.301 ( -6.015 10.714 -1.226) 12.348 4.348 ( -14.408 -0.891 0.228) 14.437 4.469 ( -9.461 3.445 -0.449) 10.079 4.908 ( -6.725 -12.172 0.476) 13.914 5.299 ( -5.683 6.904 1.892) 9.141 5.357 ( 8.714 -12.914 0.894) 15.605 5.744 ( 9.683 4.989 1.804) 11.041 6.969 ( 0.042 -0.582 2.305) 2.378 7.028 ( 2.520 2.034 2.164) 3.895 7.123 ( 2.799 0.409 6.195) 6.810 7.258 ( 2.904 1.459 -4.984) 5.950 7.645 ( 0.124 -0.732 3.046) 3.135 7.709 ( -0.130 -1.790 -3.060) 3.548 7.833 ( 0.227 4.162 -0.344) 4.182 7.874 ( 1.878 5.597 -0.387) 5.916 8.608 ( 0.368 -3.025 4.099) 5.108 8.695 ( 0.122 -3.679 -4.693) 5.965 ======================= Grid point 659 (208/225) ======================= q-point: ( 0.22 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -10.068 8.115 1.770) 13.051 3.132 ( -9.785 12.313 2.214) 15.883 4.037 ( -14.100 -0.868 -0.531) 14.137 4.209 ( -14.219 5.917 -0.987) 15.433 4.813 ( -2.804 -12.565 0.332) 12.879 5.154 ( -6.623 4.673 0.891) 8.154 5.567 ( 9.592 -13.256 1.640) 16.444 5.906 ( 5.936 2.367 2.250) 6.775 6.980 ( 0.960 -0.722 2.169) 2.480 7.082 ( 2.675 3.824 2.554) 5.320 7.200 ( 4.024 -0.786 4.708) 6.243 7.325 ( 3.060 1.869 -2.895) 4.609 7.653 ( 0.771 0.587 2.211) 2.414 7.707 ( 0.011 -0.604 -3.142) 3.199 7.849 ( 1.317 3.523 -0.204) 3.767 7.913 ( 1.767 6.163 -0.155) 6.413 8.618 ( 0.476 -2.767 3.576) 4.547 8.695 ( -0.252 -3.130 -4.145) 5.200 ======================= Grid point 660 (209/225) ======================= q-point: ( 0.33 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -11.291 8.958 3.547) 14.843 2.912 ( -11.321 10.433 -2.879) 15.662 3.814 ( -7.344 1.987 0.423) 7.620 3.944 ( -10.855 6.739 -0.816) 12.803 4.788 ( 0.296 -11.544 0.453) 11.557 5.023 ( -6.175 0.412 0.823) 6.244 5.747 ( 7.965 -11.938 1.641) 14.445 5.984 ( 1.721 -1.301 1.934) 2.897 7.010 ( 2.023 -1.669 2.244) 3.452 7.128 ( 1.310 0.995 2.886) 3.322 7.270 ( 2.863 2.357 3.249) 4.930 7.369 ( 1.038 3.280 -0.616) 3.495 7.677 ( 1.448 2.009 0.944) 2.651 7.711 ( 0.314 1.068 -2.410) 2.655 7.884 ( 1.970 3.131 -0.354) 3.717 7.942 ( 0.938 5.811 -0.186) 5.889 8.627 ( 0.466 -2.303 2.449) 3.394 8.682 ( -0.921 -2.457 -3.114) 4.072 ======================= Grid point 661 (210/225) ======================= q-point: ( 0.44 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -3.251 9.456 0.991) 10.048 2.711 ( -6.942 9.582 -3.096) 12.231 3.733 ( -0.734 4.812 0.813) 4.935 3.779 ( -5.135 6.248 -0.106) 8.088 4.822 ( 2.994 -8.606 0.612) 9.133 4.906 ( -5.064 -4.324 0.747) 6.701 5.890 ( 5.790 -9.318 1.625) 11.090 5.976 ( -2.430 -5.546 1.669) 6.281 7.063 ( 2.989 -2.822 2.461) 4.791 7.119 ( -2.053 -2.748 2.779) 4.415 7.326 ( 2.563 6.074 2.125) 6.927 7.367 ( -1.174 5.428 1.148) 5.671 7.704 ( 1.004 2.493 -0.299) 2.704 7.715 ( -0.085 2.175 -1.359) 2.566 7.924 ( 1.743 3.535 -0.396) 3.961 7.947 ( -0.434 4.664 -0.306) 4.694 8.639 ( 0.784 -1.927 0.616) 2.170 8.660 ( -1.168 -1.965 -1.458) 2.711 ======================= Grid point 666 (211/225) ======================= q-point: ( 0.00 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( 0.000 15.846 6.833) 17.257 3.623 ( 0.000 14.742 -2.942) 15.032 4.559 ( 0.000 0.224 1.649) 1.664 4.575 ( 0.000 2.311 0.333) 2.334 4.819 ( 0.000 -14.654 2.230) 14.823 4.867 ( 0.000 -11.356 -2.095) 11.547 5.599 ( 0.000 5.035 5.515) 7.467 5.672 ( 0.000 5.084 -1.748) 5.376 6.973 ( 0.000 -0.039 2.700) 2.700 6.984 ( 0.000 0.054 1.769) 1.769 7.140 ( 0.000 1.700 5.964) 6.202 7.238 ( 0.000 -0.425 -3.934) 3.957 7.621 ( 0.000 -0.866 1.615) 1.832 7.672 ( 0.000 -1.741 -3.081) 3.539 7.961 ( 0.000 6.564 -0.261) 6.570 7.963 ( 0.000 7.031 -0.290) 7.037 8.519 ( 0.000 -5.129 3.277) 6.086 8.586 ( 0.000 -6.348 -3.677) 7.336 ======================= Grid point 667 (212/225) ======================= q-point: ( 0.11 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( -6.085 13.985 3.295) 15.604 3.598 ( -3.083 17.675 0.971) 17.968 4.358 ( -14.906 1.817 0.190) 15.018 4.521 ( -7.366 0.358 1.929) 7.623 4.651 ( -7.606 -11.897 -1.961) 14.256 5.059 ( 9.624 -15.320 0.682) 18.105 5.450 ( -8.528 7.291 1.823) 11.367 5.802 ( 6.420 0.919 2.121) 6.824 6.965 ( 0.356 0.139 2.203) 2.236 7.066 ( 6.250 1.159 2.221) 6.733 7.128 ( -0.696 0.413 4.167) 4.245 7.284 ( 3.809 0.773 -1.956) 4.351 7.630 ( 0.933 -0.547 1.368) 1.744 7.678 ( 0.619 -1.314 -2.930) 3.270 7.947 ( 0.110 6.789 -0.173) 6.792 8.009 ( 2.716 7.440 -0.178) 7.922 8.523 ( 0.394 -5.321 3.005) 6.124 8.595 ( 0.686 -5.936 -3.395) 6.873 ======================= Grid point 668 (213/225) ======================= q-point: ( 0.22 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -10.151 13.065 1.666) 16.629 3.462 ( -10.710 19.327 1.937) 22.181 4.065 ( -11.365 3.688 -0.091) 11.949 4.308 ( -12.272 2.962 -0.659) 12.642 4.533 ( -3.367 -14.555 -0.443) 14.946 5.190 ( -2.558 -7.147 0.443) 7.604 5.323 ( 1.847 -3.943 1.835) 4.725 5.893 ( 2.177 -3.456 2.355) 4.715 6.977 ( 0.632 0.260 2.055) 2.166 7.116 ( -0.584 -1.732 3.198) 3.683 7.217 ( 7.875 3.846 2.409) 9.089 7.371 ( 4.253 2.305 -0.556) 4.870 7.662 ( 2.074 0.290 0.878) 2.271 7.699 ( 1.377 -0.264 -2.410) 2.788 7.962 ( 1.286 7.200 -0.092) 7.314 8.061 ( 2.080 8.077 -0.067) 8.340 8.537 ( 0.999 -5.125 2.667) 5.863 8.609 ( 0.566 -5.115 -3.023) 5.968 ======================= Grid point 669 (214/225) ======================= q-point: ( 0.33 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -10.156 14.073 2.745) 17.571 3.194 ( -13.581 16.370 -2.421) 21.408 3.914 ( -4.153 7.552 1.443) 8.738 4.072 ( -9.821 4.888 -1.645) 11.093 4.522 ( 2.266 -13.933 0.345) 14.120 5.012 ( -10.627 -0.885 0.897) 10.702 5.473 ( 8.802 -14.296 1.434) 16.850 5.889 ( -2.456 -7.852 1.816) 8.425 6.992 ( 0.996 -0.253 2.050) 2.293 7.098 ( -1.320 -2.816 2.705) 4.121 7.366 ( 6.231 5.901 2.720) 9.003 7.447 ( 2.975 4.070 0.262) 5.048 7.708 ( 2.163 0.990 0.347) 2.404 7.729 ( 1.338 0.590 -1.598) 2.166 7.997 ( 2.090 7.561 -0.171) 7.846 8.088 ( 0.462 8.089 -0.098) 8.103 8.560 ( 1.200 -4.210 2.040) 4.829 8.614 ( -0.104 -4.161 -2.423) 4.816 ======================= Grid point 670 (215/225) ======================= q-point: ( 0.44 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 613 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -2.929 14.940 0.971) 15.255 2.970 ( -7.234 15.109 -2.572) 16.948 3.874 ( 0.132 8.022 0.878) 8.071 3.922 ( -4.739 6.690 -0.847) 8.242 4.620 ( 7.032 -10.065 0.755) 12.301 4.797 ( -9.926 -5.119 0.959) 11.210 5.650 ( 8.179 -13.927 1.349) 16.208 5.799 ( -6.087 -11.613 1.434) 13.189 7.021 ( 1.807 -1.340 2.158) 3.118 7.062 ( -2.024 -2.525 2.366) 4.009 7.461 ( 2.899 6.654 2.413) 7.648 7.485 ( 0.518 5.871 1.291) 6.034 7.741 ( 0.993 1.075 -0.246) 1.484 7.747 ( 0.377 0.957 -0.832) 1.323 8.043 ( 2.220 7.673 -0.223) 7.991 8.080 ( -1.198 7.806 -0.176) 7.899 8.584 ( 1.106 -3.404 0.628) 3.634 8.604 ( -0.788 -3.412 -1.134) 3.681 ======================= Grid point 675 (216/225) ======================= q-point: ( 0.00 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.846 ( 0.000 15.204 5.333) 16.112 3.920 ( 0.000 13.740 -2.037) 13.890 4.505 ( 0.000 -7.290 4.342) 8.485 4.526 ( 0.000 -13.344 5.604) 14.473 4.627 ( 0.000 2.091 -2.405) 3.187 4.695 ( 0.000 -3.860 -5.831) 6.993 5.694 ( 0.000 4.127 5.017) 6.497 5.747 ( 0.000 2.178 -0.345) 2.205 6.979 ( 0.000 0.547 2.570) 2.627 6.989 ( 0.000 0.322 1.724) 1.754 7.160 ( 0.000 0.447 4.062) 4.086 7.208 ( 0.000 -2.132 -0.767) 2.266 7.613 ( 0.000 0.077 -0.529) 0.534 7.642 ( 0.000 -1.246 -3.044) 3.289 8.095 ( 0.000 6.315 0.420) 6.329 8.107 ( 0.000 6.717 -0.826) 6.768 8.409 ( 0.000 -5.341 2.286) 5.809 8.452 ( 0.000 -6.612 -2.151) 6.953 ======================= Grid point 676 (217/225) ======================= q-point: ( 0.11 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -7.310 14.071 2.042) 15.987 3.963 ( 1.170 16.629 1.603) 16.747 4.353 ( -8.303 -10.993 3.232) 14.150 4.418 ( -13.304 2.933 1.684) 13.727 4.563 ( -8.016 -1.299 -3.057) 8.677 4.750 ( 6.305 -14.834 -1.012) 16.150 5.594 ( -7.462 6.715 1.958) 10.227 5.787 ( 1.380 -2.316 2.237) 3.503 6.975 ( 0.569 0.877 2.178) 2.416 7.050 ( 2.597 -2.213 2.576) 4.275 7.167 ( 3.427 3.135 2.161) 5.123 7.280 ( 5.412 -1.283 0.920) 5.638 7.627 ( 1.354 0.223 -0.543) 1.475 7.655 ( 1.318 -0.985 -2.832) 3.275 8.091 ( 0.676 7.118 0.093) 7.151 8.159 ( 3.505 6.897 -0.284) 7.742 8.403 ( -0.180 -6.044 1.637) 6.264 8.468 ( 1.299 -6.347 -1.572) 6.666 ======================= Grid point 677 (218/225) ======================= q-point: ( 0.22 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( -9.515 14.528 1.491) 17.430 3.853 ( -13.995 16.823 0.936) 21.903 4.167 ( -8.096 0.613 3.777) 8.955 4.247 ( -0.795 -4.878 0.577) 4.976 4.332 ( -12.385 -2.251 -4.241) 13.283 4.885 ( 5.934 -17.856 0.491) 18.823 5.414 ( -9.331 7.984 1.347) 12.354 5.777 ( -2.548 -7.701 2.021) 8.360 6.987 ( 0.430 0.742 2.056) 2.228 7.060 ( -0.620 -2.962 2.559) 3.963 7.311 ( 8.661 4.546 2.317) 10.052 7.402 ( 6.070 0.506 1.216) 6.211 7.669 ( 2.635 0.527 -0.392) 2.715 7.693 ( 2.222 -0.379 -2.274) 3.202 8.118 ( 1.819 7.871 0.266) 8.083 8.224 ( 2.301 7.781 -0.141) 8.115 8.416 ( 1.586 -6.704 1.421) 7.034 8.497 ( 1.381 -5.880 -1.458) 6.214 ======================= Grid point 678 (219/225) ======================= q-point: ( 0.33 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -9.247 15.151 1.931) 17.854 3.519 ( -15.513 14.075 -1.967) 21.038 4.028 ( -5.410 -1.279 3.904) 6.793 4.111 ( -8.388 -3.198 -4.174) 9.900 4.330 ( 7.288 2.736 0.849) 7.831 4.933 ( -3.568 -10.997 0.679) 11.582 5.279 ( -1.159 -0.061 1.400) 1.819 5.683 ( -6.329 -11.975 1.454) 13.622 6.994 ( 0.348 0.337 1.963) 2.022 7.043 ( -0.959 -2.335 2.285) 3.405 7.475 ( 6.796 4.396 2.920) 8.604 7.516 ( 4.818 2.405 1.012) 5.479 7.722 ( 2.192 0.573 -0.219) 2.276 7.736 ( 1.770 0.170 -1.408) 2.268 8.159 ( 2.098 7.925 0.254) 8.202 8.246 ( 0.023 7.023 -0.087) 7.024 8.463 ( 2.573 -5.184 1.238) 5.919 8.521 ( 0.853 -4.970 -1.361) 5.223 ======================= Grid point 679 (220/225) ======================= q-point: ( 0.44 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( -2.912 14.795 0.722) 15.096 3.278 ( -7.210 14.070 -1.677) 15.899 3.961 ( -0.957 -1.445 0.947) 1.975 3.989 ( -3.643 -1.719 -1.828) 4.424 4.519 ( 10.764 3.238 1.084) 11.293 4.754 ( -11.485 0.780 0.971) 11.552 5.365 ( 7.336 -12.400 1.233) 14.460 5.530 ( -8.209 -14.141 1.199) 16.394 7.004 ( 0.712 -0.406 1.958) 2.123 7.022 ( -0.986 -1.421 2.061) 2.691 7.576 ( 2.855 4.318 2.649) 5.815 7.588 ( 1.718 3.907 1.510) 4.527 7.752 ( 0.840 0.212 -0.353) 0.936 7.759 ( 0.324 0.219 -0.558) 0.681 8.201 ( 1.885 7.267 0.077) 7.507 8.233 ( -1.168 6.666 -0.045) 6.768 8.508 ( 1.648 -3.924 0.458) 4.280 8.527 ( -0.278 -4.038 -0.662) 4.101 ======================= Grid point 684 (221/225) ======================= q-point: ( 0.00 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( 0.000 -3.604 1.322) 3.839 4.082 ( 0.000 3.604 1.322) 3.839 4.352 ( 0.000 -1.837 4.220) 4.602 4.352 ( 0.000 1.837 4.220) 4.602 4.662 ( 0.000 -1.177 -3.183) 3.394 4.662 ( 0.000 1.177 -3.183) 3.394 5.754 ( 0.000 -1.483 2.499) 2.906 5.754 ( 0.000 1.483 2.499) 2.906 6.990 ( 0.000 -0.341 2.101) 2.128 6.990 ( 0.000 0.341 2.101) 2.128 7.172 ( 0.000 -1.115 1.813) 2.128 7.172 ( 0.000 1.115 1.813) 2.128 7.622 ( 0.000 -0.707 -2.148) 2.261 7.622 ( 0.000 0.707 -2.148) 2.261 8.187 ( 0.000 -0.950 -0.251) 0.982 8.187 ( 0.000 0.950 -0.251) 0.982 8.349 ( 0.000 -1.654 0.252) 1.673 8.349 ( 0.000 1.654 0.252) 1.673 ======================= Grid point 686 (222/225) ======================= q-point: ( 0.11 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( -5.821 -11.521 1.136) 12.958 4.014 ( -5.821 11.521 1.136) 12.958 4.372 ( -0.477 -11.478 6.115) 13.014 4.372 ( -0.477 11.478 6.115) 13.014 4.546 ( -8.450 -3.248 -5.099) 10.390 4.546 ( -8.450 3.248 -5.099) 10.390 5.713 ( -3.922 -4.893 2.114) 6.618 5.713 ( -3.922 4.893 2.114) 6.618 7.004 ( 0.774 -2.006 2.227) 3.095 7.004 ( 0.774 2.006 2.227) 3.095 7.234 ( 5.860 -3.107 1.927) 6.907 7.234 ( 5.860 3.107 1.927) 6.907 7.637 ( 1.522 -0.756 -2.050) 2.663 7.637 ( 1.522 0.756 -2.050) 2.663 8.217 ( 2.599 -4.034 0.016) 4.799 8.217 ( 2.599 4.034 0.016) 4.799 8.352 ( 0.318 -3.886 0.054) 3.900 8.352 ( 0.318 3.886 0.054) 3.900 ======================= Grid point 688 (223/225) ======================= q-point: ( 0.22 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( -9.302 -13.376 1.022) 16.324 3.861 ( -9.302 13.376 1.022) 16.324 4.186 ( -13.225 -7.871 1.276) 15.443 4.186 ( -13.225 7.871 1.276) 15.443 4.518 ( 3.400 -17.466 -0.776) 17.811 4.518 ( 3.400 17.466 -0.776) 17.811 5.598 ( -7.148 -9.533 1.528) 12.013 5.598 ( -7.148 9.533 1.528) 12.013 7.011 ( -0.013 -1.763 2.196) 2.816 7.011 ( -0.013 1.763 2.196) 2.816 7.384 ( 7.880 -2.394 2.215) 8.528 7.384 ( 7.880 2.394 2.215) 8.528 7.682 ( 2.651 -0.675 -1.686) 3.214 7.682 ( 2.651 0.675 -1.686) 3.214 8.273 ( 2.177 -7.354 0.684) 7.700 8.273 ( 2.177 7.354 0.684) 7.700 8.371 ( 1.808 -6.671 -0.501) 6.930 8.371 ( 1.808 6.671 -0.501) 6.930 ======================= Grid point 690 (224/225) ======================= q-point: ( 0.33 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( -12.079 -6.955 0.497) 13.947 3.629 ( -12.079 6.955 0.498) 13.947 3.983 ( -6.065 -3.990 -0.477) 7.276 3.983 ( -6.065 3.990 -0.477) 7.276 4.606 ( 4.809 -18.035 0.681) 18.678 4.606 ( 4.809 18.035 0.681) 18.678 5.433 ( -8.354 -11.812 1.225) 14.519 5.433 ( -8.354 11.812 1.225) 14.519 7.008 ( -0.221 -1.137 2.032) 2.338 7.008 ( -0.221 1.137 2.032) 2.338 7.532 ( 6.198 -1.038 2.316) 6.698 7.532 ( 6.198 1.038 2.316) 6.698 7.733 ( 2.006 -0.451 -1.068) 2.317 7.733 ( 2.006 0.451 -1.068) 2.317 8.298 ( 0.548 -4.627 0.596) 4.697 8.298 ( 0.548 4.627 0.596) 4.697 8.422 ( 2.641 -3.846 -0.419) 4.684 8.422 ( 2.641 3.846 -0.419) 4.684 ======================= Grid point 692 (225/225) ======================= q-point: ( 0.44 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 383 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -5.249 -1.708 -0.203) 5.524 3.438 ( -5.249 1.708 -0.203) 5.524 3.911 ( -1.531 -1.105 -0.587) 1.977 3.911 ( -1.531 1.105 -0.587) 1.977 4.695 ( 2.984 -9.132 0.871) 9.647 4.695 ( 2.984 9.132 0.871) 9.647 5.289 ( -4.511 -6.834 1.192) 8.275 5.289 ( -4.511 6.834 1.192) 8.275 7.004 ( -0.101 -0.407 1.912) 1.957 7.004 ( -0.101 0.407 1.912) 1.957 7.626 ( 2.627 -0.395 2.284) 3.503 7.626 ( 2.627 0.395 2.284) 3.503 7.757 ( 0.359 -0.297 -0.548) 0.719 7.757 ( 0.359 0.297 -0.548) 0.719 8.304 ( 0.143 -1.371 0.194) 1.392 8.304 ( 0.143 1.371 0.194) 1.392 8.462 ( 1.075 -1.040 -0.126) 1.501 8.462 ( 1.075 1.040 -0.126) 1.501 =================== 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 3/22032 10.0 4975.017 8533.857 11345.541 0.000 0.000 -0.000 3/22032 20.0 3291.026 3679.287 3439.758 0.000 0.000 -0.000 3/22032 30.0 1206.296 1454.722 1106.709 0.000 0.000 -0.000 3/22032 40.0 593.831 732.011 506.272 0.000 0.000 -0.000 3/22032 50.0 359.668 443.977 298.541 0.000 0.000 -0.000 3/22032 60.0 246.289 302.413 205.765 0.000 0.000 -0.000 3/22032 70.0 183.083 223.475 156.740 0.000 0.000 -0.000 3/22032 80.0 144.244 175.207 127.444 0.000 0.000 -0.000 3/22032 90.0 118.546 143.458 108.193 0.000 0.000 -0.000 3/22032 100.0 100.525 121.312 94.576 0.000 0.000 -0.000 3/22032 110.0 87.288 105.119 84.382 0.000 0.000 -0.000 3/22032 120.0 77.193 92.816 76.413 0.000 0.000 -0.000 3/22032 130.0 69.254 83.171 69.972 0.000 0.000 -0.000 3/22032 140.0 62.853 75.413 64.631 0.000 0.000 -0.000 3/22032 150.0 57.581 69.037 60.110 0.000 0.000 -0.000 3/22032 160.0 53.163 63.702 56.224 0.000 0.000 -0.000 3/22032 170.0 49.404 59.170 52.837 0.000 0.000 -0.000 3/22032 180.0 46.165 55.269 49.855 0.000 0.000 -0.000 3/22032 190.0 43.343 51.874 47.205 0.000 0.000 -0.000 3/22032 200.0 40.862 48.891 44.832 0.000 0.000 -0.000 3/22032 210.0 38.661 46.247 42.693 0.000 0.000 -0.000 3/22032 220.0 36.695 43.887 40.753 0.000 0.000 -0.000 3/22032 230.0 34.927 41.765 38.986 0.000 0.000 -0.000 3/22032 240.0 33.328 39.847 37.369 0.000 0.000 -0.000 3/22032 250.0 31.875 38.105 35.882 0.000 0.000 -0.000 3/22032 260.0 30.547 36.513 34.511 0.000 0.000 -0.000 3/22032 270.0 29.329 35.054 33.241 0.000 0.000 -0.000 3/22032 280.0 28.208 33.711 32.063 0.000 0.000 -0.000 3/22032 290.0 27.172 32.470 30.966 0.000 0.000 -0.000 3/22032 300.0 26.211 31.319 29.943 0.000 0.000 -0.000 3/22032 310.0 25.318 30.250 28.985 0.000 0.000 -0.000 3/22032 320.0 24.486 29.254 28.087 0.000 0.000 -0.000 3/22032 330.0 23.708 28.322 27.243 0.000 0.000 -0.000 3/22032 340.0 22.978 27.450 26.449 0.000 0.000 -0.000 3/22032 350.0 22.294 26.631 25.699 0.000 0.000 -0.000 3/22032 360.0 21.650 25.860 24.992 0.000 0.000 -0.000 3/22032 370.0 21.043 25.134 24.322 0.000 0.000 -0.000 3/22032 380.0 20.470 24.449 23.687 0.000 0.000 -0.000 3/22032 390.0 19.927 23.800 23.085 0.000 0.000 -0.000 3/22032 400.0 19.414 23.186 22.513 0.000 0.000 -0.000 3/22032 410.0 18.926 22.603 21.968 0.000 0.000 -0.000 3/22032 420.0 18.463 22.049 21.449 0.000 0.000 -0.000 3/22032 430.0 18.022 21.522 20.955 0.000 0.000 -0.000 3/22032 440.0 17.603 21.020 20.482 0.000 0.000 -0.000 3/22032 450.0 17.202 20.542 20.031 0.000 0.000 -0.000 3/22032 460.0 16.820 20.085 19.598 0.000 0.000 -0.000 3/22032 470.0 16.454 19.648 19.185 0.000 0.000 -0.000 3/22032 480.0 16.105 19.230 18.788 0.000 0.000 -0.000 3/22032 490.0 15.770 18.829 18.407 0.000 0.000 -0.000 3/22032 500.0 15.449 18.446 18.042 0.000 0.000 -0.000 3/22032 510.0 15.141 18.077 17.691 0.000 0.000 -0.000 3/22032 520.0 14.845 17.724 17.353 0.000 0.000 -0.000 3/22032 530.0 14.560 17.384 17.028 0.000 0.000 -0.000 3/22032 540.0 14.287 17.057 16.715 0.000 0.000 -0.000 3/22032 550.0 14.023 16.742 16.413 0.000 0.000 -0.000 3/22032 560.0 13.769 16.439 16.122 0.000 0.000 -0.000 3/22032 570.0 13.525 16.146 15.841 0.000 0.000 -0.000 3/22032 580.0 13.289 15.864 15.569 0.000 0.000 -0.000 3/22032 590.0 13.061 15.592 15.307 0.000 0.000 -0.000 3/22032 600.0 12.840 15.329 15.054 0.000 0.000 -0.000 3/22032 610.0 12.628 15.075 14.808 0.000 0.000 -0.000 3/22032 620.0 12.422 14.829 14.571 0.000 0.000 -0.000 3/22032 630.0 12.223 14.591 14.341 0.000 0.000 -0.000 3/22032 640.0 12.030 14.361 14.118 0.000 0.000 -0.000 3/22032 650.0 11.843 14.138 13.902 0.000 0.000 -0.000 3/22032 660.0 11.662 13.921 13.693 0.000 0.000 -0.000 3/22032 670.0 11.487 13.712 13.490 0.000 0.000 -0.000 3/22032 680.0 11.316 13.508 13.292 0.000 0.000 -0.000 3/22032 690.0 11.151 13.311 13.101 0.000 0.000 -0.000 3/22032 700.0 10.991 13.119 12.915 0.000 0.000 -0.000 3/22032 710.0 10.835 12.933 12.734 0.000 0.000 -0.000 3/22032 720.0 10.683 12.752 12.558 0.000 0.000 -0.000 3/22032 730.0 10.536 12.576 12.387 0.000 0.000 -0.000 3/22032 740.0 10.393 12.405 12.220 0.000 0.000 -0.000 3/22032 750.0 10.253 12.239 12.058 0.000 0.000 -0.000 3/22032 760.0 10.118 12.077 11.900 0.000 0.000 -0.000 3/22032 770.0 9.986 11.919 11.747 0.000 0.000 -0.000 3/22032 780.0 9.857 11.765 11.597 0.000 0.000 -0.000 3/22032 790.0 9.732 11.615 11.451 0.000 0.000 -0.000 3/22032 800.0 9.609 11.469 11.308 0.000 0.000 -0.000 3/22032 810.0 9.490 11.327 11.169 0.000 0.000 -0.000 3/22032 820.0 9.374 11.188 11.034 0.000 0.000 -0.000 3/22032 830.0 9.260 11.053 10.901 0.000 0.000 -0.000 3/22032 840.0 9.150 10.921 10.772 0.000 0.000 -0.000 3/22032 850.0 9.042 10.791 10.646 0.000 0.000 -0.000 3/22032 860.0 8.936 10.665 10.523 0.000 0.000 -0.000 3/22032 870.0 8.833 10.542 10.402 0.000 0.000 -0.000 3/22032 880.0 8.732 10.422 10.285 0.000 0.000 -0.000 3/22032 890.0 8.634 10.305 10.170 0.000 0.000 -0.000 3/22032 900.0 8.538 10.190 10.057 0.000 0.000 -0.000 3/22032 910.0 8.443 10.077 9.947 0.000 0.000 -0.000 3/22032 920.0 8.351 9.967 9.839 0.000 0.000 -0.000 3/22032 930.0 8.261 9.860 9.734 0.000 0.000 -0.000 3/22032 940.0 8.173 9.755 9.631 0.000 0.000 -0.000 3/22032 950.0 8.087 9.652 9.530 0.000 0.000 -0.000 3/22032 960.0 8.003 9.551 9.431 0.000 0.000 -0.000 3/22032 970.0 7.920 9.452 9.334 0.000 0.000 -0.000 3/22032 980.0 7.839 9.355 9.239 0.000 0.000 -0.000 3/22032 990.0 7.759 9.260 9.146 0.000 0.000 -0.000 3/22032 1000.0 7.682 9.168 9.055 0.000 0.000 -0.000 3/22032 Thermal conductivity related properties were written into "kappa-m9817.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:10:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|