----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:32:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.913721920000000 2.959911690000000 4.130257780000000 b 2.913721920000000 -2.959911690000000 4.130257780000000 c 2.913721920000000 2.959911690000000 -4.130257780000000 Atomic positions (fractional): *1 Ga 0.88544098197115 0.63544098197115 0.25000000000000 69.723 2 Ga 0.11455901802885 0.36455901802885 0.75000000000000 69.723 *3 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 *5 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *7 O 0.24690526546531 0.23765438360466 0.00925088186065 15.999 8 O 0.72840350174401 0.23765438360466 0.49074911813935 15.999 *9 O 0.25027122529508 0.76404234892844 0.01377112363336 15.999 10 O 0.25027122529508 0.23650010166173 0.48622887636664 15.999 11 O 0.74972877470492 0.76349989833827 0.51377112363336 15.999 12 O 0.74972877470492 0.23595765107156 0.98622887636664 15.999 13 O 0.27159649825599 0.76234561639534 0.50925088186065 15.999 14 O 0.75309473453469 0.76234561639534 0.99074911813935 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.827443840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.919823380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.260515560000000 Atomic positions (fractional): *1 Ga 0.50000000000000 0.75000000000000 0.13544098197115 69.723 > 1 2 Ga 0.50000000000000 0.25000000000000 0.86455901802885 69.723 > 2 *3 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 3 4 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 4 5 Ga 0.00000000000000 0.25000000000000 0.63544098197115 69.723 > 1 6 Ga 0.00000000000000 0.75000000000000 0.36455901802885 69.723 > 2 7 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 3 8 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 4 *9 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 5 10 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 6 11 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 5 12 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 6 *13 O 0.50000000000000 0.50925088186065 0.73765438360466 15.999 > 7 14 O 0.00000000000000 0.49074911813935 0.23765438360466 15.999 > 8 *15 O 0.76377112363336 0.25000000000000 0.00027122529508 15.999 > 9 16 O 0.23622887636664 0.25000000000000 0.00027122529508 15.999 > 10 17 O 0.76377112363336 0.75000000000000 0.99972877470491 15.999 > 11 18 O 0.23622887636664 0.75000000000000 0.99972877470491 15.999 > 12 19 O 0.00000000000000 0.50925088186065 0.76234561639534 15.999 > 13 20 O 0.50000000000000 0.49074911813935 0.26234561639534 15.999 > 14 21 O 0.00000000000000 0.00925088186065 0.23765438360466 15.999 > 7 22 O 0.50000000000000 0.99074911813935 0.73765438360466 15.999 > 8 23 O 0.26377112363336 0.75000000000000 0.50027122529509 15.999 > 9 24 O 0.73622887636664 0.75000000000000 0.50027122529509 15.999 > 10 25 O 0.26377112363336 0.25000000000000 0.49972877470492 15.999 > 11 26 O 0.73622887636664 0.25000000000000 0.49972877470492 15.999 > 12 27 O 0.50000000000000 0.00925088186065 0.26234561639534 15.999 > 13 28 O 0.00000000000000 0.99074911813935 0.76234561639534 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.654887680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.839646760000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.260515560000000 Atomic positions (fractional): *1 Ga 0.25000000000000 0.37500000000000 0.13544098197115 69.723 > 1 2 Ga 0.75000000000000 0.37500000000000 0.13544098197115 69.723 > 1 3 Ga 0.25000000000000 0.87500000000000 0.13544098197115 69.723 > 1 4 Ga 0.75000000000000 0.87500000000000 0.13544098197115 69.723 > 1 5 Ga 0.25000000000000 0.12500000000000 0.86455901802885 69.723 > 2 6 Ga 0.75000000000000 0.12500000000000 0.86455901802885 69.723 > 2 7 Ga 0.25000000000000 0.62500000000000 0.86455901802885 69.723 > 2 8 Ga 0.75000000000000 0.62500000000000 0.86455901802885 69.723 > 2 *9 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 3 10 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 3 11 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 3 12 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 3 13 Ga 0.00000000000000 0.25000000000000 0.00000000000000 69.723 > 4 14 Ga 0.50000000000000 0.25000000000000 0.00000000000000 69.723 > 4 15 Ga 0.00000000000000 0.75000000000000 0.00000000000000 69.723 > 4 16 Ga 0.50000000000000 0.75000000000000 0.00000000000000 69.723 > 4 17 Ga 0.00000000000000 0.12500000000000 0.63544098197115 69.723 > 1 18 Ga 0.50000000000000 0.12500000000000 0.63544098197115 69.723 > 1 19 Ga 0.00000000000000 0.62500000000000 0.63544098197115 69.723 > 1 20 Ga 0.50000000000000 0.62500000000000 0.63544098197115 69.723 > 1 21 Ga 0.00000000000000 0.37500000000000 0.36455901802885 69.723 > 2 22 Ga 0.50000000000000 0.37500000000000 0.36455901802885 69.723 > 2 23 Ga 0.00000000000000 0.87500000000000 0.36455901802885 69.723 > 2 24 Ga 0.50000000000000 0.87500000000000 0.36455901802885 69.723 > 2 25 Ga 0.25000000000000 0.25000000000000 0.50000000000000 69.723 > 3 26 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 > 3 27 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 > 3 28 Ga 0.75000000000000 0.75000000000000 0.50000000000000 69.723 > 3 29 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 4 30 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 4 31 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 4 32 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 4 *33 Mg 0.12500000000000 0.37500000000000 0.75000000000000 24.305 > 5 34 Mg 0.62500000000000 0.37500000000000 0.75000000000000 24.305 > 5 35 Mg 0.12500000000000 0.87500000000000 0.75000000000000 24.305 > 5 36 Mg 0.62500000000000 0.87500000000000 0.75000000000000 24.305 > 5 37 Mg 0.37500000000000 0.37500000000000 0.75000000000000 24.305 > 6 38 Mg 0.87500000000000 0.37500000000000 0.75000000000000 24.305 > 6 39 Mg 0.37500000000000 0.87500000000000 0.75000000000000 24.305 > 6 40 Mg 0.87500000000000 0.87500000000000 0.75000000000000 24.305 > 6 41 Mg 0.37500000000000 0.12500000000000 0.25000000000000 24.305 > 5 42 Mg 0.87500000000000 0.12500000000000 0.25000000000000 24.305 > 5 43 Mg 0.37500000000000 0.62500000000000 0.25000000000000 24.305 > 5 44 Mg 0.87500000000000 0.62500000000000 0.25000000000000 24.305 > 5 45 Mg 0.12500000000000 0.12500000000000 0.25000000000000 24.305 > 6 46 Mg 0.62500000000000 0.12500000000000 0.25000000000000 24.305 > 6 47 Mg 0.12500000000000 0.62500000000000 0.25000000000000 24.305 > 6 48 Mg 0.62500000000000 0.62500000000000 0.25000000000000 24.305 > 6 *49 O 0.25000000000000 0.25462544093033 0.73765438360466 15.999 > 7 50 O 0.75000000000000 0.25462544093033 0.73765438360466 15.999 > 7 51 O 0.25000000000000 0.75462544093033 0.73765438360466 15.999 > 7 52 O 0.75000000000000 0.75462544093033 0.73765438360466 15.999 > 7 53 O 0.00000000000000 0.24537455906967 0.23765438360466 15.999 > 8 54 O 0.50000000000000 0.24537455906967 0.23765438360466 15.999 > 8 55 O 0.00000000000000 0.74537455906967 0.23765438360466 15.999 > 8 56 O 0.50000000000000 0.74537455906967 0.23765438360466 15.999 > 8 *57 O 0.38188556181668 0.12500000000000 0.00027122529508 15.999 > 9 58 O 0.88188556181668 0.12500000000000 0.00027122529508 15.999 > 9 59 O 0.38188556181668 0.62500000000000 0.00027122529508 15.999 > 9 60 O 0.88188556181668 0.62500000000000 0.00027122529508 15.999 > 9 61 O 0.11811443818332 0.12500000000000 0.00027122529508 15.999 > 10 62 O 0.61811443818332 0.12500000000000 0.00027122529508 15.999 > 10 63 O 0.11811443818332 0.62500000000000 0.00027122529508 15.999 > 10 64 O 0.61811443818332 0.62500000000000 0.00027122529508 15.999 > 10 65 O 0.38188556181668 0.37500000000000 0.99972877470491 15.999 > 11 66 O 0.88188556181668 0.37500000000000 0.99972877470491 15.999 > 11 67 O 0.38188556181668 0.87500000000000 0.99972877470491 15.999 > 11 68 O 0.88188556181668 0.87500000000000 0.99972877470491 15.999 > 11 69 O 0.11811443818332 0.37500000000000 0.99972877470491 15.999 > 12 70 O 0.61811443818332 0.37500000000000 0.99972877470491 15.999 > 12 71 O 0.11811443818332 0.87500000000000 0.99972877470491 15.999 > 12 72 O 0.61811443818332 0.87500000000000 0.99972877470491 15.999 > 12 73 O 0.00000000000000 0.25462544093033 0.76234561639534 15.999 > 13 74 O 0.50000000000000 0.25462544093033 0.76234561639534 15.999 > 13 75 O 0.00000000000000 0.75462544093033 0.76234561639534 15.999 > 13 76 O 0.50000000000000 0.75462544093033 0.76234561639534 15.999 > 13 77 O 0.25000000000000 0.24537455906967 0.26234561639534 15.999 > 14 78 O 0.75000000000000 0.24537455906967 0.26234561639534 15.999 > 14 79 O 0.25000000000000 0.74537455906967 0.26234561639534 15.999 > 14 80 O 0.75000000000000 0.74537455906967 0.26234561639534 15.999 > 14 81 O 0.00000000000000 0.00462544093033 0.23765438360466 15.999 > 7 82 O 0.50000000000000 0.00462544093033 0.23765438360466 15.999 > 7 83 O 0.00000000000000 0.50462544093033 0.23765438360466 15.999 > 7 84 O 0.50000000000000 0.50462544093033 0.23765438360466 15.999 > 7 85 O 0.25000000000000 0.49537455906967 0.73765438360466 15.999 > 8 86 O 0.75000000000000 0.49537455906967 0.73765438360466 15.999 > 8 87 O 0.25000000000000 0.99537455906967 0.73765438360466 15.999 > 8 88 O 0.75000000000000 0.99537455906967 0.73765438360466 15.999 > 8 89 O 0.13188556181668 0.37500000000000 0.50027122529509 15.999 > 9 90 O 0.63188556181668 0.37500000000000 0.50027122529509 15.999 > 9 91 O 0.13188556181668 0.87500000000000 0.50027122529509 15.999 > 9 92 O 0.63188556181668 0.87500000000000 0.50027122529509 15.999 > 9 93 O 0.36811443818332 0.37500000000000 0.50027122529509 15.999 > 10 94 O 0.86811443818332 0.37500000000000 0.50027122529509 15.999 > 10 95 O 0.36811443818332 0.87500000000000 0.50027122529509 15.999 > 10 96 O 0.86811443818332 0.87500000000000 0.50027122529509 15.999 > 10 97 O 0.13188556181668 0.12500000000000 0.49972877470492 15.999 > 11 98 O 0.63188556181668 0.12500000000000 0.49972877470492 15.999 > 11 99 O 0.13188556181668 0.62500000000000 0.49972877470492 15.999 > 11 100 O 0.63188556181668 0.62500000000000 0.49972877470492 15.999 > 11 101 O 0.36811443818332 0.12500000000000 0.49972877470492 15.999 > 12 102 O 0.86811443818332 0.12500000000000 0.49972877470492 15.999 > 12 103 O 0.36811443818332 0.62500000000000 0.49972877470492 15.999 > 12 104 O 0.86811443818332 0.62500000000000 0.49972877470492 15.999 > 12 105 O 0.25000000000000 0.00462544093033 0.26234561639534 15.999 > 13 106 O 0.75000000000000 0.00462544093033 0.26234561639534 15.999 > 13 107 O 0.25000000000000 0.50462544093033 0.26234561639534 15.999 > 13 108 O 0.75000000000000 0.50462544093033 0.26234561639534 15.999 > 13 109 O 0.00000000000000 0.49537455906967 0.76234561639534 15.999 > 14 110 O 0.50000000000000 0.49537455906967 0.76234561639534 15.999 > 14 111 O 0.00000000000000 0.99537455906967 0.76234561639534 15.999 > 14 112 O 0.50000000000000 0.99537455906967 0.76234561639534 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9158556 0.0000000 0.0000000 0.0000000 3.8826728 0.0000000 0.0000000 0.0000000 3.8920618 -------------------------- Born effective charges -------------------------- 1 Ga 3.1834247 0.0000000 0.0000000 0.0000000 2.6451788 0.0000000 0.0000000 0.0000000 2.9499872 2 Ga 3.1834247 0.0000000 0.0000000 0.0000000 2.6451788 0.0000000 0.0000000 0.0000000 2.9499872 3 Ga 3.0249864 0.0000000 0.0000000 0.0000000 3.3489863 -0.3056596 0.0000000 -0.2915466 3.1634519 4 Ga 3.0249864 0.0000000 0.0000000 0.0000000 3.3489863 0.3056596 0.0000000 0.2915466 3.1634519 5 Mg 1.9388763 0.0000000 -0.1209483 0.0000000 2.1702155 0.0000000 -0.1677873 0.0000000 2.0335588 6 Mg 1.9388763 0.0000000 0.1209483 0.0000000 2.1702155 0.0000000 0.1677873 0.0000000 2.0335588 7 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 0.3505255 0.0000000 0.3822283 -2.2182279 8 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 -0.3505255 0.0000000 -0.3822283 -2.2182279 9 O -2.4827928 0.0000000 -0.4134321 0.0000000 -1.9848403 0.0000000 -0.3848419 0.0000000 -1.8552711 10 O -2.4827928 0.0000000 0.4134321 0.0000000 -1.9848403 0.0000000 0.3848419 0.0000000 -1.8552711 11 O -2.4827928 0.0000000 0.4134321 0.0000000 -1.9848403 0.0000000 0.3848419 0.0000000 -1.8552711 12 O -2.4827928 0.0000000 -0.4134321 0.0000000 -1.9848403 0.0000000 -0.3848419 0.0000000 -1.8552711 13 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 -0.3505255 0.0000000 -0.3822283 -2.2182279 14 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 0.3505255 0.0000000 0.3822283 -2.2182279 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.054 Solver_block: 200 / 240 - Time: 1.064 Solver_block: 240 / 240 - Time: 0.496 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.632 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:32:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:32:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.913721920000000 2.959911690000000 4.130257780000000 b 2.913721920000000 -2.959911690000000 4.130257780000000 c 2.913721920000000 2.959911690000000 -4.130257780000000 Atomic positions (fractional): 1 Ga 0.88544098197115 0.63544098197115 0.25000000000000 69.723 2 Ga 0.11455901802885 0.36455901802885 0.75000000000000 69.723 3 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 5 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 7 O 0.24690526546531 0.23765438360466 0.00925088186065 15.999 8 O 0.72840350174401 0.23765438360466 0.49074911813935 15.999 9 O 0.25027122529508 0.76404234892844 0.01377112363336 15.999 10 O 0.25027122529508 0.23650010166173 0.48622887636664 15.999 11 O 0.74972877470492 0.76349989833827 0.51377112363336 15.999 12 O 0.74972877470492 0.23595765107156 0.98622887636664 15.999 13 O 0.27159649825599 0.76234561639534 0.50925088186065 15.999 14 O 0.75309473453469 0.76234561639534 0.99074911813935 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.654887680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.839646760000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.260515560000000 Atomic positions (fractional): 1 Ga 0.25000000000000 0.37500000000000 0.13544098197115 69.723 > 1 2 Ga 0.75000000000000 0.37500000000000 0.13544098197115 69.723 > 1 3 Ga 0.25000000000000 0.87500000000000 0.13544098197115 69.723 > 1 4 Ga 0.75000000000000 0.87500000000000 0.13544098197115 69.723 > 1 5 Ga 0.25000000000000 0.12500000000000 0.86455901802885 69.723 > 5 6 Ga 0.75000000000000 0.12500000000000 0.86455901802885 69.723 > 5 7 Ga 0.25000000000000 0.62500000000000 0.86455901802885 69.723 > 5 8 Ga 0.75000000000000 0.62500000000000 0.86455901802885 69.723 > 5 9 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 9 10 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 9 11 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 9 12 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 9 13 Ga 0.00000000000000 0.25000000000000 0.00000000000000 69.723 > 13 14 Ga 0.50000000000000 0.25000000000000 0.00000000000000 69.723 > 13 15 Ga 0.00000000000000 0.75000000000000 0.00000000000000 69.723 > 13 16 Ga 0.50000000000000 0.75000000000000 0.00000000000000 69.723 > 13 17 Ga 0.00000000000000 0.12500000000000 0.63544098197115 69.723 > 1 18 Ga 0.50000000000000 0.12500000000000 0.63544098197115 69.723 > 1 19 Ga 0.00000000000000 0.62500000000000 0.63544098197115 69.723 > 1 20 Ga 0.50000000000000 0.62500000000000 0.63544098197115 69.723 > 1 21 Ga 0.00000000000000 0.37500000000000 0.36455901802885 69.723 > 5 22 Ga 0.50000000000000 0.37500000000000 0.36455901802885 69.723 > 5 23 Ga 0.00000000000000 0.87500000000000 0.36455901802885 69.723 > 5 24 Ga 0.50000000000000 0.87500000000000 0.36455901802885 69.723 > 5 25 Ga 0.25000000000000 0.25000000000000 0.50000000000000 69.723 > 9 26 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 > 9 27 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 > 9 28 Ga 0.75000000000000 0.75000000000000 0.50000000000000 69.723 > 9 29 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 13 30 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 13 31 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 13 32 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 13 33 Mg 0.12500000000000 0.37500000000000 0.75000000000000 24.305 > 33 34 Mg 0.62500000000000 0.37500000000000 0.75000000000000 24.305 > 33 35 Mg 0.12500000000000 0.87500000000000 0.75000000000000 24.305 > 33 36 Mg 0.62500000000000 0.87500000000000 0.75000000000000 24.305 > 33 37 Mg 0.37500000000000 0.37500000000000 0.75000000000000 24.305 > 37 38 Mg 0.87500000000000 0.37500000000000 0.75000000000000 24.305 > 37 39 Mg 0.37500000000000 0.87500000000000 0.75000000000000 24.305 > 37 40 Mg 0.87500000000000 0.87500000000000 0.75000000000000 24.305 > 37 41 Mg 0.37500000000000 0.12500000000000 0.25000000000000 24.305 > 33 42 Mg 0.87500000000000 0.12500000000000 0.25000000000000 24.305 > 33 43 Mg 0.37500000000000 0.62500000000000 0.25000000000000 24.305 > 33 44 Mg 0.87500000000000 0.62500000000000 0.25000000000000 24.305 > 33 45 Mg 0.12500000000000 0.12500000000000 0.25000000000000 24.305 > 37 46 Mg 0.62500000000000 0.12500000000000 0.25000000000000 24.305 > 37 47 Mg 0.12500000000000 0.62500000000000 0.25000000000000 24.305 > 37 48 Mg 0.62500000000000 0.62500000000000 0.25000000000000 24.305 > 37 49 O 0.25000000000000 0.25462544093033 0.73765438360466 15.999 > 49 50 O 0.75000000000000 0.25462544093033 0.73765438360466 15.999 > 49 51 O 0.25000000000000 0.75462544093033 0.73765438360466 15.999 > 49 52 O 0.75000000000000 0.75462544093033 0.73765438360466 15.999 > 49 53 O 0.00000000000000 0.24537455906967 0.23765438360466 15.999 > 53 54 O 0.50000000000000 0.24537455906967 0.23765438360466 15.999 > 53 55 O 0.00000000000000 0.74537455906967 0.23765438360466 15.999 > 53 56 O 0.50000000000000 0.74537455906967 0.23765438360466 15.999 > 53 57 O 0.38188556181668 0.12500000000000 0.00027122529508 15.999 > 57 58 O 0.88188556181668 0.12500000000000 0.00027122529508 15.999 > 57 59 O 0.38188556181668 0.62500000000000 0.00027122529508 15.999 > 57 60 O 0.88188556181668 0.62500000000000 0.00027122529508 15.999 > 57 61 O 0.11811443818332 0.12500000000000 0.00027122529508 15.999 > 61 62 O 0.61811443818332 0.12500000000000 0.00027122529508 15.999 > 61 63 O 0.11811443818332 0.62500000000000 0.00027122529508 15.999 > 61 64 O 0.61811443818332 0.62500000000000 0.00027122529508 15.999 > 61 65 O 0.38188556181668 0.37500000000000 0.99972877470491 15.999 > 65 66 O 0.88188556181668 0.37500000000000 0.99972877470491 15.999 > 65 67 O 0.38188556181668 0.87500000000000 0.99972877470491 15.999 > 65 68 O 0.88188556181668 0.87500000000000 0.99972877470491 15.999 > 65 69 O 0.11811443818332 0.37500000000000 0.99972877470491 15.999 > 69 70 O 0.61811443818332 0.37500000000000 0.99972877470491 15.999 > 69 71 O 0.11811443818332 0.87500000000000 0.99972877470491 15.999 > 69 72 O 0.61811443818332 0.87500000000000 0.99972877470491 15.999 > 69 73 O 0.00000000000000 0.25462544093033 0.76234561639534 15.999 > 73 74 O 0.50000000000000 0.25462544093033 0.76234561639534 15.999 > 73 75 O 0.00000000000000 0.75462544093033 0.76234561639534 15.999 > 73 76 O 0.50000000000000 0.75462544093033 0.76234561639534 15.999 > 73 77 O 0.25000000000000 0.24537455906967 0.26234561639534 15.999 > 77 78 O 0.75000000000000 0.24537455906967 0.26234561639534 15.999 > 77 79 O 0.25000000000000 0.74537455906967 0.26234561639534 15.999 > 77 80 O 0.75000000000000 0.74537455906967 0.26234561639534 15.999 > 77 81 O 0.00000000000000 0.00462544093033 0.23765438360466 15.999 > 49 82 O 0.50000000000000 0.00462544093033 0.23765438360466 15.999 > 49 83 O 0.00000000000000 0.50462544093033 0.23765438360466 15.999 > 49 84 O 0.50000000000000 0.50462544093033 0.23765438360466 15.999 > 49 85 O 0.25000000000000 0.49537455906967 0.73765438360466 15.999 > 53 86 O 0.75000000000000 0.49537455906967 0.73765438360466 15.999 > 53 87 O 0.25000000000000 0.99537455906967 0.73765438360466 15.999 > 53 88 O 0.75000000000000 0.99537455906967 0.73765438360466 15.999 > 53 89 O 0.13188556181668 0.37500000000000 0.50027122529509 15.999 > 57 90 O 0.63188556181668 0.37500000000000 0.50027122529509 15.999 > 57 91 O 0.13188556181668 0.87500000000000 0.50027122529509 15.999 > 57 92 O 0.63188556181668 0.87500000000000 0.50027122529509 15.999 > 57 93 O 0.36811443818332 0.37500000000000 0.50027122529509 15.999 > 61 94 O 0.86811443818332 0.37500000000000 0.50027122529509 15.999 > 61 95 O 0.36811443818332 0.87500000000000 0.50027122529509 15.999 > 61 96 O 0.86811443818332 0.87500000000000 0.50027122529509 15.999 > 61 97 O 0.13188556181668 0.12500000000000 0.49972877470492 15.999 > 65 98 O 0.63188556181668 0.12500000000000 0.49972877470492 15.999 > 65 99 O 0.13188556181668 0.62500000000000 0.49972877470492 15.999 > 65 100 O 0.63188556181668 0.62500000000000 0.49972877470492 15.999 > 65 101 O 0.36811443818332 0.12500000000000 0.49972877470492 15.999 > 69 102 O 0.86811443818332 0.12500000000000 0.49972877470492 15.999 > 69 103 O 0.36811443818332 0.62500000000000 0.49972877470492 15.999 > 69 104 O 0.86811443818332 0.62500000000000 0.49972877470492 15.999 > 69 105 O 0.25000000000000 0.00462544093033 0.26234561639534 15.999 > 73 106 O 0.75000000000000 0.00462544093033 0.26234561639534 15.999 > 73 107 O 0.25000000000000 0.50462544093033 0.26234561639534 15.999 > 73 108 O 0.75000000000000 0.50462544093033 0.26234561639534 15.999 > 73 109 O 0.00000000000000 0.49537455906967 0.76234561639534 15.999 > 77 110 O 0.50000000000000 0.49537455906967 0.76234561639534 15.999 > 77 111 O 0.00000000000000 0.99537455906967 0.76234561639534 15.999 > 77 112 O 0.50000000000000 0.99537455906967 0.76234561639534 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9158556 0.0000000 0.0000000 0.0000000 3.8826728 0.0000000 0.0000000 0.0000000 3.8920618 -------------------------- Born effective charges -------------------------- 1 Ga 3.1834247 0.0000000 0.0000000 0.0000000 2.6451788 0.0000000 0.0000000 0.0000000 2.9499872 2 Ga 3.1834247 0.0000000 0.0000000 0.0000000 2.6451788 0.0000000 0.0000000 0.0000000 2.9499872 3 Ga 3.0249864 0.0000000 0.0000000 0.0000000 3.3489863 -0.3056596 0.0000000 -0.2915466 3.1634519 4 Ga 3.0249864 0.0000000 0.0000000 0.0000000 3.3489863 0.3056596 0.0000000 0.2915466 3.1634519 5 Mg 1.9388763 0.0000000 -0.1209483 0.0000000 2.1702155 0.0000000 -0.1677873 0.0000000 2.0335588 6 Mg 1.9388763 0.0000000 0.1209483 0.0000000 2.1702155 0.0000000 0.1677873 0.0000000 2.0335588 7 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 0.3505255 0.0000000 0.3822283 -2.2182279 8 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 -0.3505255 0.0000000 -0.3822283 -2.2182279 9 O -2.4827928 0.0000000 -0.4134321 0.0000000 -1.9848403 0.0000000 -0.3848419 0.0000000 -1.8552711 10 O -2.4827928 0.0000000 0.4134321 0.0000000 -1.9848403 0.0000000 0.3848419 0.0000000 -1.8552711 11 O -2.4827928 0.0000000 0.4134321 0.0000000 -1.9848403 0.0000000 0.3848419 0.0000000 -1.8552711 12 O -2.4827928 0.0000000 -0.4134321 0.0000000 -1.9848403 0.0000000 -0.3848419 0.0000000 -1.8552711 13 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 -0.3505255 0.0000000 -0.3822283 -2.2182279 14 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 0.3505255 0.0000000 0.3822283 -2.2182279 ---------------------------------------------------------------------------- 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[ 9, 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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[ 57, 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: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:32:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:32:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.913721920000000 2.959911690000000 4.130257780000000 b 2.913721920000000 -2.959911690000000 4.130257780000000 c 2.913721920000000 2.959911690000000 -4.130257780000000 Atomic positions (fractional): 1 Ga 0.88544098197115 0.63544098197115 0.25000000000000 69.723 2 Ga 0.11455901802885 0.36455901802885 0.75000000000000 69.723 3 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 5 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 7 O 0.24690526546531 0.23765438360466 0.00925088186065 15.999 8 O 0.72840350174401 0.23765438360466 0.49074911813935 15.999 9 O 0.25027122529508 0.76404234892844 0.01377112363336 15.999 10 O 0.25027122529508 0.23650010166173 0.48622887636664 15.999 11 O 0.74972877470492 0.76349989833827 0.51377112363336 15.999 12 O 0.74972877470492 0.23595765107156 0.98622887636664 15.999 13 O 0.27159649825599 0.76234561639534 0.50925088186065 15.999 14 O 0.75309473453469 0.76234561639534 0.99074911813935 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.654887680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.839646760000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.260515560000000 Atomic positions (fractional): 1 Ga 0.25000000000000 0.37500000000000 0.13544098197115 69.723 > 1 2 Ga 0.75000000000000 0.37500000000000 0.13544098197115 69.723 > 1 3 Ga 0.25000000000000 0.87500000000000 0.13544098197115 69.723 > 1 4 Ga 0.75000000000000 0.87500000000000 0.13544098197115 69.723 > 1 5 Ga 0.25000000000000 0.12500000000000 0.86455901802885 69.723 > 5 6 Ga 0.75000000000000 0.12500000000000 0.86455901802885 69.723 > 5 7 Ga 0.25000000000000 0.62500000000000 0.86455901802885 69.723 > 5 8 Ga 0.75000000000000 0.62500000000000 0.86455901802885 69.723 > 5 9 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 9 10 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 9 11 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 9 12 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 9 13 Ga 0.00000000000000 0.25000000000000 0.00000000000000 69.723 > 13 14 Ga 0.50000000000000 0.25000000000000 0.00000000000000 69.723 > 13 15 Ga 0.00000000000000 0.75000000000000 0.00000000000000 69.723 > 13 16 Ga 0.50000000000000 0.75000000000000 0.00000000000000 69.723 > 13 17 Ga 0.00000000000000 0.12500000000000 0.63544098197115 69.723 > 1 18 Ga 0.50000000000000 0.12500000000000 0.63544098197115 69.723 > 1 19 Ga 0.00000000000000 0.62500000000000 0.63544098197115 69.723 > 1 20 Ga 0.50000000000000 0.62500000000000 0.63544098197115 69.723 > 1 21 Ga 0.00000000000000 0.37500000000000 0.36455901802885 69.723 > 5 22 Ga 0.50000000000000 0.37500000000000 0.36455901802885 69.723 > 5 23 Ga 0.00000000000000 0.87500000000000 0.36455901802885 69.723 > 5 24 Ga 0.50000000000000 0.87500000000000 0.36455901802885 69.723 > 5 25 Ga 0.25000000000000 0.25000000000000 0.50000000000000 69.723 > 9 26 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 > 9 27 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 > 9 28 Ga 0.75000000000000 0.75000000000000 0.50000000000000 69.723 > 9 29 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 13 30 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 13 31 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 13 32 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 13 33 Mg 0.12500000000000 0.37500000000000 0.75000000000000 24.305 > 33 34 Mg 0.62500000000000 0.37500000000000 0.75000000000000 24.305 > 33 35 Mg 0.12500000000000 0.87500000000000 0.75000000000000 24.305 > 33 36 Mg 0.62500000000000 0.87500000000000 0.75000000000000 24.305 > 33 37 Mg 0.37500000000000 0.37500000000000 0.75000000000000 24.305 > 37 38 Mg 0.87500000000000 0.37500000000000 0.75000000000000 24.305 > 37 39 Mg 0.37500000000000 0.87500000000000 0.75000000000000 24.305 > 37 40 Mg 0.87500000000000 0.87500000000000 0.75000000000000 24.305 > 37 41 Mg 0.37500000000000 0.12500000000000 0.25000000000000 24.305 > 33 42 Mg 0.87500000000000 0.12500000000000 0.25000000000000 24.305 > 33 43 Mg 0.37500000000000 0.62500000000000 0.25000000000000 24.305 > 33 44 Mg 0.87500000000000 0.62500000000000 0.25000000000000 24.305 > 33 45 Mg 0.12500000000000 0.12500000000000 0.25000000000000 24.305 > 37 46 Mg 0.62500000000000 0.12500000000000 0.25000000000000 24.305 > 37 47 Mg 0.12500000000000 0.62500000000000 0.25000000000000 24.305 > 37 48 Mg 0.62500000000000 0.62500000000000 0.25000000000000 24.305 > 37 49 O 0.25000000000000 0.25462544093033 0.73765438360466 15.999 > 49 50 O 0.75000000000000 0.25462544093033 0.73765438360466 15.999 > 49 51 O 0.25000000000000 0.75462544093033 0.73765438360466 15.999 > 49 52 O 0.75000000000000 0.75462544093033 0.73765438360466 15.999 > 49 53 O 0.00000000000000 0.24537455906967 0.23765438360466 15.999 > 53 54 O 0.50000000000000 0.24537455906967 0.23765438360466 15.999 > 53 55 O 0.00000000000000 0.74537455906967 0.23765438360466 15.999 > 53 56 O 0.50000000000000 0.74537455906967 0.23765438360466 15.999 > 53 57 O 0.38188556181668 0.12500000000000 0.00027122529508 15.999 > 57 58 O 0.88188556181668 0.12500000000000 0.00027122529508 15.999 > 57 59 O 0.38188556181668 0.62500000000000 0.00027122529508 15.999 > 57 60 O 0.88188556181668 0.62500000000000 0.00027122529508 15.999 > 57 61 O 0.11811443818332 0.12500000000000 0.00027122529508 15.999 > 61 62 O 0.61811443818332 0.12500000000000 0.00027122529508 15.999 > 61 63 O 0.11811443818332 0.62500000000000 0.00027122529508 15.999 > 61 64 O 0.61811443818332 0.62500000000000 0.00027122529508 15.999 > 61 65 O 0.38188556181668 0.37500000000000 0.99972877470491 15.999 > 65 66 O 0.88188556181668 0.37500000000000 0.99972877470491 15.999 > 65 67 O 0.38188556181668 0.87500000000000 0.99972877470491 15.999 > 65 68 O 0.88188556181668 0.87500000000000 0.99972877470491 15.999 > 65 69 O 0.11811443818332 0.37500000000000 0.99972877470491 15.999 > 69 70 O 0.61811443818332 0.37500000000000 0.99972877470491 15.999 > 69 71 O 0.11811443818332 0.87500000000000 0.99972877470491 15.999 > 69 72 O 0.61811443818332 0.87500000000000 0.99972877470491 15.999 > 69 73 O 0.00000000000000 0.25462544093033 0.76234561639534 15.999 > 73 74 O 0.50000000000000 0.25462544093033 0.76234561639534 15.999 > 73 75 O 0.00000000000000 0.75462544093033 0.76234561639534 15.999 > 73 76 O 0.50000000000000 0.75462544093033 0.76234561639534 15.999 > 73 77 O 0.25000000000000 0.24537455906967 0.26234561639534 15.999 > 77 78 O 0.75000000000000 0.24537455906967 0.26234561639534 15.999 > 77 79 O 0.25000000000000 0.74537455906967 0.26234561639534 15.999 > 77 80 O 0.75000000000000 0.74537455906967 0.26234561639534 15.999 > 77 81 O 0.00000000000000 0.00462544093033 0.23765438360466 15.999 > 49 82 O 0.50000000000000 0.00462544093033 0.23765438360466 15.999 > 49 83 O 0.00000000000000 0.50462544093033 0.23765438360466 15.999 > 49 84 O 0.50000000000000 0.50462544093033 0.23765438360466 15.999 > 49 85 O 0.25000000000000 0.49537455906967 0.73765438360466 15.999 > 53 86 O 0.75000000000000 0.49537455906967 0.73765438360466 15.999 > 53 87 O 0.25000000000000 0.99537455906967 0.73765438360466 15.999 > 53 88 O 0.75000000000000 0.99537455906967 0.73765438360466 15.999 > 53 89 O 0.13188556181668 0.37500000000000 0.50027122529509 15.999 > 57 90 O 0.63188556181668 0.37500000000000 0.50027122529509 15.999 > 57 91 O 0.13188556181668 0.87500000000000 0.50027122529509 15.999 > 57 92 O 0.63188556181668 0.87500000000000 0.50027122529509 15.999 > 57 93 O 0.36811443818332 0.37500000000000 0.50027122529509 15.999 > 61 94 O 0.86811443818332 0.37500000000000 0.50027122529509 15.999 > 61 95 O 0.36811443818332 0.87500000000000 0.50027122529509 15.999 > 61 96 O 0.86811443818332 0.87500000000000 0.50027122529509 15.999 > 61 97 O 0.13188556181668 0.12500000000000 0.49972877470492 15.999 > 65 98 O 0.63188556181668 0.12500000000000 0.49972877470492 15.999 > 65 99 O 0.13188556181668 0.62500000000000 0.49972877470492 15.999 > 65 100 O 0.63188556181668 0.62500000000000 0.49972877470492 15.999 > 65 101 O 0.36811443818332 0.12500000000000 0.49972877470492 15.999 > 69 102 O 0.86811443818332 0.12500000000000 0.49972877470492 15.999 > 69 103 O 0.36811443818332 0.62500000000000 0.49972877470492 15.999 > 69 104 O 0.86811443818332 0.62500000000000 0.49972877470492 15.999 > 69 105 O 0.25000000000000 0.00462544093033 0.26234561639534 15.999 > 73 106 O 0.75000000000000 0.00462544093033 0.26234561639534 15.999 > 73 107 O 0.25000000000000 0.50462544093033 0.26234561639534 15.999 > 73 108 O 0.75000000000000 0.50462544093033 0.26234561639534 15.999 > 73 109 O 0.00000000000000 0.49537455906967 0.76234561639534 15.999 > 77 110 O 0.50000000000000 0.49537455906967 0.76234561639534 15.999 > 77 111 O 0.00000000000000 0.99537455906967 0.76234561639534 15.999 > 77 112 O 0.50000000000000 0.99537455906967 0.76234561639534 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9158556 0.0000000 0.0000000 0.0000000 3.8826728 0.0000000 0.0000000 0.0000000 3.8920618 -------------------------- Born effective charges -------------------------- 1 Ga 3.1834247 0.0000000 0.0000000 0.0000000 2.6451788 0.0000000 0.0000000 0.0000000 2.9499872 2 Ga 3.1834247 0.0000000 0.0000000 0.0000000 2.6451788 0.0000000 0.0000000 0.0000000 2.9499872 3 Ga 3.0249864 0.0000000 0.0000000 0.0000000 3.3489863 -0.3056596 0.0000000 -0.2915466 3.1634519 4 Ga 3.0249864 0.0000000 0.0000000 0.0000000 3.3489863 0.3056596 0.0000000 0.2915466 3.1634519 5 Mg 1.9388763 0.0000000 -0.1209483 0.0000000 2.1702155 0.0000000 -0.1677873 0.0000000 2.0335588 6 Mg 1.9388763 0.0000000 0.1209483 0.0000000 2.1702155 0.0000000 0.1677873 0.0000000 2.0335588 7 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 0.3505255 0.0000000 0.3822283 -2.2182279 8 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 -0.3505255 0.0000000 -0.3822283 -2.2182279 9 O -2.4827928 0.0000000 -0.4134321 0.0000000 -1.9848403 0.0000000 -0.3848419 0.0000000 -1.8552711 10 O -2.4827928 0.0000000 0.4134321 0.0000000 -1.9848403 0.0000000 0.3848419 0.0000000 -1.8552711 11 O -2.4827928 0.0000000 0.4134321 0.0000000 -1.9848403 0.0000000 0.3848419 0.0000000 -1.8552711 12 O -2.4827928 0.0000000 -0.4134321 0.0000000 -1.9848403 0.0000000 -0.3848419 0.0000000 -1.8552711 13 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 -0.3505255 0.0000000 -0.3822283 -2.2182279 14 O -1.5908509 0.0000000 0.0000000 0.0000000 -2.0973501 0.3505255 0.0000000 0.3822283 -2.2182279 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 6 144 ] Grid generation matrix: [ 0 9 9 ] [ 8 0 8 ] [ 6 6 0 ] 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: 0.80, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 9.998 ( 0.000 0.000 0.000) 0.000 10.003 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.072 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.793 ( 0.000 0.000 0.000) 0.000 13.348 ( 0.000 0.000 0.000) 0.000 13.380 ( 0.000 0.000 0.000) 0.000 13.637 ( 0.000 0.000 0.000) 0.000 14.299 ( 0.000 0.000 0.000) 0.000 14.898 ( 0.000 0.000 0.000) 0.000 14.992 ( 0.000 0.000 0.000) 0.000 15.545 ( 0.000 0.000 0.000) 0.000 15.809 ( 0.000 0.000 0.000) 0.000 16.200 ( 0.000 0.000 0.000) 0.000 16.708 ( 0.000 0.000 0.000) 0.000 16.914 ( 0.000 0.000 0.000) 0.000 17.479 ( 0.000 0.000 0.000) 0.000 18.026 ( 0.000 0.000 0.000) 0.000 18.503 ( 0.000 0.000 0.000) 0.000 20.781 ( 0.000 0.000 0.000) 0.000 21.140 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.50 -0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -14.587 11.840 4.569) 19.335 3.913 ( -10.830 19.281 -0.898) 22.133 4.260 ( -6.843 -1.945 -4.189) 8.256 4.701 ( 4.327 2.057 4.599) 6.641 5.335 ( 0.542 -5.264 -9.269) 10.674 5.451 ( 6.421 -6.099 -1.529) 8.987 5.679 ( -3.050 -1.818 -5.856) 6.849 6.070 ( -1.778 1.733 -9.392) 9.714 6.248 ( -0.989 9.443 -0.632) 9.515 6.697 ( 4.006 17.243 -8.519) 19.645 7.089 ( -7.781 0.476 14.071) 16.086 7.326 ( 2.866 -3.793 14.939) 15.677 7.971 ( -34.158 15.649 -0.567) 37.576 9.621 ( -2.215 4.810 1.412) 5.481 9.865 ( 5.155 -15.653 -15.187) 22.411 10.170 ( 1.083 -1.698 3.143) 3.733 10.302 ( -7.177 -1.750 8.595) 11.334 10.476 ( 8.937 0.523 12.515) 15.387 10.602 ( 15.174 1.717 5.696) 16.299 11.290 ( 13.632 -7.890 4.737) 16.448 11.700 ( -15.433 1.700 -9.163) 18.029 12.011 ( -4.795 8.074 4.911) 10.597 12.164 ( -3.481 -10.914 -6.613) 13.227 12.311 ( -3.975 -1.983 -8.376) 9.481 12.842 ( 1.418 2.890 -2.746) 4.231 13.021 ( 8.925 2.043 -2.781) 9.569 13.340 ( -8.974 16.257 3.589) 18.913 14.223 ( 8.696 -8.109 0.869) 11.922 14.334 ( -9.579 5.285 -2.618) 11.249 14.936 ( 6.801 -9.457 -4.371) 12.442 15.510 ( -10.986 1.847 -1.184) 11.203 15.689 ( -11.045 11.509 -4.604) 16.603 15.838 ( -6.849 2.149 -6.694) 9.815 15.985 ( 2.198 1.118 -2.641) 3.613 16.554 ( -4.489 -7.937 2.241) 9.390 16.748 ( -6.541 -2.717 9.420) 11.786 16.948 ( 8.080 -5.102 2.857) 9.974 17.095 ( 6.207 13.389 1.338) 14.818 19.784 ( -4.956 8.314 0.641) 9.700 20.391 ( 13.543 -8.204 2.571) 16.042 20.671 ( -3.413 2.431 -0.145) 4.193 20.971 ( 5.515 -3.789 0.650) 6.722 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 20.866 -0.000 22.323) 30.557 2.586 ( 28.020 -0.000 13.417) 31.066 4.189 ( -0.889 0.000 -1.241) 1.527 4.678 ( -4.022 0.000 -5.991) 7.216 4.779 ( -15.777 0.000 -14.083) 21.148 4.919 ( 40.031 -0.000 24.639) 47.006 5.422 ( -12.399 -0.000 2.446) 12.638 5.656 ( 3.447 -0.000 6.218) 7.110 5.754 ( -1.328 -0.000 0.600) 1.458 6.026 ( 1.435 0.000 -2.237) 2.658 6.881 ( 8.721 -0.000 13.082) 15.722 7.906 ( 40.820 0.000 -6.178) 41.285 8.782 ( 5.154 -0.000 17.349) 18.098 9.458 ( 18.288 -0.000 9.897) 20.795 10.168 ( 7.647 0.000 0.884) 7.698 10.372 ( -15.590 -0.000 -3.570) 15.994 10.578 ( 2.856 0.000 -1.354) 3.160 10.705 ( -9.316 0.000 -7.699) 12.085 10.753 ( -7.718 0.000 -6.270) 9.943 10.874 ( 3.139 -0.000 10.494) 10.953 11.409 ( 0.901 0.000 -5.411) 5.485 11.455 ( 11.525 -0.000 21.094) 24.037 11.927 ( -12.350 -0.000 -2.870) 12.679 12.116 ( 12.236 0.000 -2.316) 12.453 12.888 ( 0.782 0.000 -10.565) 10.594 12.950 ( -2.505 -0.000 1.079) 2.727 13.500 ( -10.437 -0.000 2.040) 10.634 13.601 ( -7.708 -0.000 -1.315) 7.820 14.442 ( 12.405 0.000 -2.152) 12.591 14.973 ( 10.905 -0.000 7.857) 13.441 15.007 ( 0.363 -0.000 2.961) 2.983 15.357 ( -3.318 -0.000 0.283) 3.330 15.361 ( 3.335 0.000 -0.636) 3.395 15.731 ( -3.296 -0.000 -1.273) 3.533 16.702 ( 3.212 0.000 -1.504) 3.546 17.050 ( 0.941 0.000 -6.743) 6.808 18.004 ( -0.390 -0.000 2.296) 2.329 18.270 ( 15.116 -0.000 16.533) 22.401 18.321 ( -3.834 0.000 -3.427) 5.142 19.751 ( -11.656 0.000 -13.602) 17.913 21.215 ( -0.080 -0.000 3.757) 3.758 21.281 ( -2.109 -0.000 4.960) 5.389 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -0.000 0.000 0.000) 0.000 3.425 ( -0.000 0.000 0.000) 0.000 3.541 ( 0.000 -0.000 -0.000) 0.000 3.936 ( 0.000 -0.000 -0.000) 0.000 4.941 ( 0.000 -0.000 -0.000) 0.000 5.320 ( 0.000 -0.000 -0.000) 0.000 5.804 ( 0.000 -0.000 -0.000) 0.000 6.105 ( 0.000 -0.000 -0.000) 0.000 6.592 ( -0.000 -0.000 0.000) 0.000 6.684 ( 0.000 0.000 -0.000) 0.000 7.083 ( -0.000 -0.000 0.000) 0.000 7.290 ( -0.000 -0.000 0.000) 0.000 8.256 ( 0.000 -0.000 -0.000) 0.000 9.188 ( 0.000 -0.000 -0.000) 0.000 9.703 ( 0.000 -0.000 -0.000) 0.000 9.834 ( 0.000 -0.000 0.000) 0.000 9.950 ( 0.000 0.000 -0.000) 0.000 10.618 ( 0.000 -0.000 -0.000) 0.000 11.246 ( 0.000 -0.000 -0.000) 0.000 11.676 ( 0.000 -0.000 -0.000) 0.000 11.782 ( -0.000 -0.000 0.000) 0.000 11.784 ( 0.000 -0.000 -0.000) 0.000 12.127 ( 0.000 -0.000 -0.000) 0.000 12.154 ( 0.000 -0.000 -0.000) 0.000 12.338 ( 0.000 -0.000 -0.000) 0.000 13.346 ( 0.000 -0.000 -0.000) 0.000 13.408 ( 0.000 -0.000 -0.000) 0.000 14.133 ( 0.000 -0.000 -0.000) 0.000 14.186 ( 0.000 -0.000 -0.000) 0.000 14.774 ( 0.000 -0.000 -0.000) 0.000 14.836 ( -0.000 0.000 0.000) 0.000 15.239 ( 0.000 -0.000 -0.000) 0.000 15.527 ( 0.000 -0.000 -0.000) 0.000 16.089 ( 0.000 -0.000 -0.000) 0.000 16.599 ( 0.000 -0.000 -0.000) 0.000 16.620 ( 0.000 -0.000 -0.000) 0.000 17.247 ( 0.000 0.000 -0.000) 0.000 17.365 ( 0.000 -0.000 0.000) 0.000 19.656 ( 0.000 -0.000 -0.000) 0.000 20.360 ( 0.000 -0.000 -0.000) 0.000 21.178 ( 0.000 -0.000 -0.000) 0.000 21.228 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 7 (5/160) ======================= q-point: (-0.38 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( -4.733 -18.014 -18.870) 26.514 3.405 ( -18.401 -10.693 -22.204) 30.756 3.881 ( -8.866 13.878 5.552) 17.379 4.239 ( -4.669 16.777 2.379) 17.576 5.107 ( -8.810 1.931 1.716) 9.181 5.283 ( 0.642 -2.800 -2.540) 3.835 5.718 ( -0.443 -7.352 -3.449) 8.133 6.062 ( 5.767 -4.640 -1.821) 7.623 6.276 ( 3.937 -17.053 6.245) 18.583 6.516 ( -12.654 -11.844 -12.799) 21.545 6.908 ( 14.681 -7.651 -19.239) 25.381 7.350 ( -3.591 -4.900 -2.220) 6.468 8.252 ( 5.542 12.159 -0.905) 13.393 9.284 ( -12.375 -5.261 -0.562) 13.459 9.790 ( 1.618 11.239 11.969) 16.499 10.029 ( -3.446 7.883 5.416) 10.166 10.213 ( -15.238 9.586 2.938) 18.241 10.672 ( -1.269 4.551 -8.188) 9.453 11.153 ( -0.461 -8.335 -1.785) 8.537 11.394 ( 7.422 -19.355 -6.915) 21.852 11.662 ( 6.941 2.357 7.288) 10.337 11.710 ( -1.316 -7.526 0.394) 7.651 12.039 ( 1.475 1.527 4.248) 4.749 12.204 ( -5.817 -3.067 2.707) 7.112 12.695 ( -4.043 15.047 -14.119) 21.026 13.092 ( 13.871 -3.382 -5.051) 15.145 13.652 ( -11.908 0.386 -1.062) 11.962 13.811 ( 13.358 -1.844 3.539) 13.942 14.349 ( -12.390 -6.237 -4.091) 14.462 14.701 ( 3.442 2.463 3.629) 5.575 14.975 ( -6.947 -0.989 -0.522) 7.036 15.264 ( -4.025 -0.827 -4.281) 5.934 15.612 ( -1.032 5.481 1.192) 5.704 16.024 ( 3.587 -3.559 -0.267) 5.060 16.576 ( -5.673 -6.766 -3.486) 9.493 16.655 ( -1.619 2.439 2.883) 4.109 17.252 ( 1.318 5.162 -1.416) 5.513 17.490 ( 2.145 11.202 -3.839) 12.034 19.449 ( -1.492 -16.900 -3.014) 17.231 20.530 ( -1.707 8.578 -1.131) 8.819 21.054 ( 8.889 -3.921 8.597) 12.973 21.194 ( 2.398 1.279 -0.552) 2.773 ======================= Grid point 8 (6/160) ======================= q-point: ( 0.12 -0.45 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -26.915 14.182 -3.388) 30.611 3.217 ( -15.832 15.292 -9.195) 23.854 4.234 ( -0.729 2.911 3.998) 4.999 4.571 ( 10.669 6.570 14.278) 18.997 4.679 ( 5.527 8.726 9.658) 14.142 5.305 ( -1.095 0.788 -2.968) 3.261 5.390 ( -0.612 7.410 -2.334) 7.792 5.681 ( -2.041 -2.172 -4.444) 5.351 5.900 ( -7.868 -2.430 6.307) 10.373 6.215 ( -21.447 4.131 -13.936) 25.909 6.876 ( 6.371 -1.239 -5.863) 8.746 8.628 ( -31.557 -4.886 1.892) 31.989 8.791 ( -12.140 -7.985 -18.048) 23.171 9.729 ( -3.738 -4.274 -5.140) 7.660 9.838 ( 25.543 -1.114 3.066) 25.751 10.347 ( -1.461 3.989 -1.267) 4.433 10.480 ( 5.369 -2.943 3.682) 7.145 10.673 ( 2.634 2.021 7.364) 8.077 10.845 ( -10.892 2.639 1.854) 11.360 11.097 ( 5.476 -7.940 -0.782) 9.677 11.148 ( 1.530 20.215 1.130) 20.305 11.507 ( 9.193 1.555 0.671) 9.348 11.871 ( -5.693 -1.938 -9.095) 10.903 12.636 ( -23.524 3.796 -1.239) 23.861 12.731 ( 5.892 -11.022 12.761) 17.862 12.841 ( 0.613 0.846 -6.966) 7.044 13.322 ( 5.212 -1.422 -4.239) 6.867 13.594 ( 6.938 12.757 10.817) 18.108 14.608 ( -4.253 -2.747 3.414) 6.106 15.075 ( -4.079 -0.265 -0.160) 4.091 15.186 ( -6.374 3.119 -4.988) 8.674 15.336 ( 0.107 4.693 -0.467) 4.717 15.471 ( -1.365 6.434 -1.499) 6.746 15.692 ( 2.774 2.511 0.599) 3.789 16.718 ( -0.848 -2.030 -0.853) 2.360 16.996 ( 3.333 -2.980 4.394) 6.269 17.828 ( -3.230 -17.545 -2.842) 18.064 17.962 ( 0.201 -14.755 -2.336) 14.941 18.894 ( -12.627 18.682 -6.822) 23.558 19.682 ( 12.518 13.366 14.180) 23.160 21.104 ( 2.005 -7.036 -7.955) 10.807 21.250 ( -0.490 -2.877 -1.270) 3.183 ======================= Grid point 9 (7/160) ======================= q-point: (-0.38 0.22 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 23.105 -27.367 -1.044) 35.831 3.142 ( 20.257 -23.902 -6.246) 31.948 4.191 ( 6.589 3.099 2.105) 7.579 4.705 ( -0.933 -2.348 3.517) 4.331 5.158 ( 13.424 -28.976 -3.201) 32.095 5.616 ( 5.137 -5.217 13.055) 14.968 5.677 ( -8.467 1.510 0.841) 8.642 5.715 ( -1.507 -4.803 -3.895) 6.365 6.047 ( 6.846 -5.905 -9.449) 13.077 6.359 ( -3.791 -10.321 9.034) 14.230 6.735 ( 12.022 -10.938 -4.171) 16.780 7.156 ( 18.471 -10.538 -8.626) 22.949 7.745 ( -6.501 13.564 -13.390) 20.138 9.429 ( 5.631 -6.858 -1.725) 9.039 10.120 ( 1.589 1.965 -0.009) 2.527 10.210 ( 9.976 11.657 -1.944) 15.466 10.444 ( -9.353 -0.883 -7.854) 12.245 10.577 ( -9.830 7.960 7.975) 14.953 10.896 ( 7.811 -0.655 3.989) 8.795 11.225 ( -0.198 -5.893 -1.812) 6.169 11.601 ( 6.012 7.838 -1.655) 10.016 11.874 ( 3.829 -16.579 3.153) 17.306 12.060 ( 1.988 -1.517 -5.291) 5.852 12.348 ( 4.136 13.046 -0.747) 13.706 12.634 ( 7.370 -6.740 5.374) 11.342 12.885 ( -15.019 -12.491 4.676) 20.087 13.511 ( -12.231 5.213 -2.223) 13.480 14.011 ( 7.800 -6.589 2.851) 10.601 14.377 ( 2.613 1.840 -1.111) 3.383 15.101 ( 10.143 -3.765 7.938) 13.419 15.207 ( 0.081 -8.417 7.780) 11.463 15.396 ( 2.882 -1.419 2.340) 3.975 15.638 ( 5.879 2.271 0.387) 6.314 15.872 ( -1.565 -10.152 -4.330) 11.147 16.541 ( 11.566 4.229 -4.736) 13.195 16.750 ( 7.540 9.504 -1.308) 12.202 17.011 ( -4.047 -3.782 -5.062) 7.504 17.251 ( -4.753 8.586 -3.690) 10.485 19.413 ( 2.469 -18.763 -1.203) 18.963 20.584 ( 2.237 3.944 0.766) 4.598 20.861 ( -15.150 4.576 -2.652) 16.047 21.146 ( -5.009 2.556 0.723) 5.670 ======================= Grid point 10 (8/160) ======================= q-point: ( 0.12 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -28.340 34.147 0.000) 44.376 1.306 ( -35.280 28.461 0.000) 45.329 2.031 ( -41.978 56.595 0.000) 70.464 4.180 ( -2.231 -0.087 0.000) 2.232 4.766 ( 3.160 7.538 0.000) 8.174 5.483 ( -6.587 -0.311 0.000) 6.594 5.610 ( 1.158 10.183 0.000) 10.249 5.851 ( 9.460 -3.957 -0.000) 10.254 6.008 ( 1.924 0.507 -0.000) 1.990 6.084 ( -3.208 -1.234 0.000) 3.437 6.125 ( -3.234 3.225 0.000) 4.567 6.680 ( -22.360 -9.663 0.000) 24.358 8.043 ( -0.423 -4.457 -0.000) 4.477 8.857 ( -8.904 9.390 0.000) 12.940 10.018 ( -1.671 0.163 0.000) 1.679 10.031 ( -2.809 11.266 0.000) 11.611 10.268 ( -14.606 10.393 0.000) 17.927 10.337 ( -9.737 -3.924 0.000) 10.498 10.547 ( -11.812 9.544 0.000) 15.186 11.074 ( -0.024 1.870 0.000) 1.870 11.518 ( 11.478 -6.737 -0.000) 13.309 12.095 ( 33.256 32.662 -0.000) 46.613 12.239 ( 3.493 -0.746 -0.000) 3.571 12.534 ( 6.462 -16.875 -0.000) 18.070 12.718 ( -4.339 -6.961 -0.000) 8.203 12.872 ( 3.328 3.148 -0.000) 4.581 13.494 ( -8.779 2.698 0.000) 9.184 13.669 ( -3.174 3.107 0.000) 4.441 14.470 ( -6.434 8.975 0.000) 11.043 14.673 ( 15.657 -3.680 -0.000) 16.084 15.058 ( 1.473 7.897 0.000) 8.033 15.432 ( -12.266 -3.875 0.000) 12.863 15.501 ( 2.068 -1.795 -0.000) 2.739 15.761 ( 3.324 -1.572 -0.000) 3.677 16.753 ( -3.378 -1.086 0.000) 3.548 16.871 ( -45.940 -43.158 0.000) 63.033 16.981 ( -9.544 -2.916 0.000) 9.980 17.450 ( 1.797 -1.382 -0.000) 2.267 18.622 ( 0.662 12.028 0.000) 12.046 20.744 ( 0.625 -2.739 -0.000) 2.809 21.111 ( 10.750 4.843 -0.000) 11.791 21.218 ( 19.779 14.750 -0.000) 24.673 ======================= Grid point 11 (9/160) ======================= q-point: (-0.38 0.55 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( 6.204 -7.936 -4.615) 11.080 4.190 ( 7.964 -0.891 5.298) 9.606 4.353 ( -0.861 -2.613 -0.064) 2.752 4.659 ( 1.878 6.219 7.932) 10.253 5.256 ( -1.913 -4.816 -10.081) 11.335 5.327 ( -6.535 -0.168 -3.180) 7.270 5.589 ( -0.327 -14.057 -10.901) 17.792 5.923 ( -1.613 -4.604 -0.302) 4.888 6.489 ( 12.016 -5.825 -10.653) 17.082 6.564 ( 7.275 3.572 -8.819) 11.977 6.783 ( 2.514 -12.953 11.805) 17.705 7.750 ( 0.214 22.489 17.807) 28.686 8.988 ( -40.918 7.737 -2.942) 41.747 9.361 ( 24.623 -4.390 -1.568) 25.061 9.719 ( 9.348 -4.463 0.201) 10.360 10.021 ( -6.212 9.649 -5.415) 12.689 10.340 ( 1.345 2.500 4.000) 4.905 10.508 ( 7.749 9.398 7.980) 14.561 10.800 ( -18.972 9.418 11.426) 24.067 10.818 ( 13.359 -4.889 8.698) 16.673 11.745 ( -1.206 -15.904 -6.297) 17.148 12.045 ( 4.767 -4.968 -0.778) 6.929 12.180 ( -7.824 -6.506 -8.210) 13.075 12.386 ( -7.556 1.818 -4.029) 8.754 12.627 ( 4.732 -2.855 -9.725) 11.186 13.054 ( 0.804 5.871 2.696) 6.510 13.655 ( 20.809 -14.326 3.675) 25.529 13.993 ( -11.876 15.403 -4.103) 19.878 14.496 ( 2.222 -8.494 -3.653) 9.510 14.758 ( -6.784 5.203 2.133) 8.812 15.687 ( 1.071 -5.400 -4.914) 7.380 15.772 ( 0.481 -7.601 -3.115) 8.228 15.818 ( 1.139 -8.701 -1.707) 8.940 15.940 ( 0.164 -3.946 -2.589) 4.723 16.563 ( -6.424 -3.036 3.305) 7.837 16.738 ( -3.423 3.865 -0.129) 5.165 17.021 ( 2.138 15.840 4.492) 16.603 17.306 ( 6.082 16.633 2.751) 17.923 19.796 ( 5.802 -14.220 -2.219) 15.518 20.095 ( -2.399 -1.036 4.514) 5.216 20.729 ( 1.513 -1.352 -1.205) 2.359 20.950 ( -1.725 7.394 2.690) 8.055 ======================= Grid point 12 (10/160) ======================= q-point: ( 0.12 0.22 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 22.912 10.565 21.747) 33.309 2.577 ( 17.390 25.327 28.167) 41.680 4.171 ( 26.163 8.947 24.814) 37.153 4.285 ( 11.439 7.580 13.431) 19.202 4.766 ( 2.038 1.402 -1.036) 2.682 5.118 ( -12.615 4.229 -9.730) 16.483 5.549 ( -5.314 -0.982 1.894) 5.726 5.698 ( -7.640 1.929 -0.490) 7.895 5.940 ( -3.914 4.492 -0.779) 6.009 5.987 ( 3.639 -0.014 2.853) 4.624 6.592 ( 21.343 4.921 6.463) 22.836 7.219 ( 20.303 -4.546 4.244) 21.234 8.578 ( 3.818 -9.242 15.586) 18.518 9.197 ( 15.860 6.916 5.705) 18.219 10.136 ( 6.023 8.528 0.966) 10.485 10.411 ( 4.580 0.076 -1.354) 4.777 10.529 ( 4.660 1.811 10.179) 11.341 10.768 ( 3.780 -2.594 -1.472) 4.815 10.917 ( 4.750 -8.370 7.180) 12.007 11.000 ( -11.147 -5.535 -7.169) 14.363 11.099 ( -0.233 17.241 0.672) 17.256 11.590 ( 6.656 18.064 14.723) 24.236 12.021 ( -6.756 -8.862 -12.748) 16.933 12.197 ( -9.223 2.770 -4.588) 10.667 12.812 ( -5.897 -7.492 -4.174) 10.408 12.925 ( 0.407 -5.129 5.547) 7.565 13.664 ( -6.681 -1.135 0.319) 6.784 13.748 ( 1.273 5.240 1.327) 5.554 14.271 ( 8.074 3.852 -3.225) 9.510 14.788 ( 13.106 3.856 5.879) 14.873 15.003 ( -1.478 -3.252 -0.350) 3.589 15.357 ( 0.900 0.792 -2.064) 2.387 15.443 ( -0.673 8.348 3.515) 9.083 15.802 ( -4.132 -0.218 -1.091) 4.279 16.589 ( 7.314 -1.253 -3.972) 8.417 16.960 ( 5.340 -2.785 -5.410) 8.096 17.746 ( 1.784 -20.475 5.798) 21.355 17.845 ( 4.366 -12.134 11.787) 17.471 18.630 ( 1.440 17.277 1.629) 17.413 20.181 ( -11.932 16.323 -9.621) 22.391 21.172 ( -1.149 -3.604 1.660) 4.131 21.285 ( -3.936 -5.230 3.799) 7.569 ======================= Grid point 13 (11/160) ======================= q-point: ( 0.24 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -24.101 29.914 0.000) 38.415 2.508 ( -30.136 25.255 0.000) 39.319 3.926 ( -36.379 48.587 0.000) 60.697 4.230 ( -3.685 -0.485 0.000) 3.717 4.830 ( 0.928 3.249 0.000) 3.379 5.611 ( 7.866 -1.121 -0.000) 7.946 5.682 ( 0.914 5.681 0.000) 5.754 5.776 ( -2.612 10.497 0.000) 10.817 5.920 ( 5.281 -1.715 -0.000) 5.553 6.231 ( -4.028 7.015 0.000) 8.089 6.378 ( -6.727 10.466 0.000) 12.442 7.018 ( -30.362 -4.149 0.000) 30.645 7.856 ( 1.737 -11.906 -0.000) 12.032 9.243 ( -8.295 8.495 0.000) 11.873 10.069 ( -2.859 0.485 0.000) 2.900 10.217 ( 3.143 4.893 0.000) 5.815 10.409 ( -9.202 -7.618 0.000) 11.946 10.883 ( -19.726 13.145 0.000) 23.704 10.962 ( -6.747 2.203 0.000) 7.098 11.031 ( 19.585 -9.341 -0.000) 21.699 11.399 ( -15.766 19.845 0.000) 25.345 11.932 ( 5.649 -18.776 -0.000) 19.607 12.108 ( 7.689 -3.601 -0.000) 8.490 12.299 ( 14.093 26.035 0.000) 29.604 12.609 ( -4.743 -11.447 -0.000) 12.391 12.861 ( -0.065 -1.510 -0.000) 1.512 13.567 ( 7.378 -2.356 -0.000) 7.745 13.869 ( -5.255 7.931 0.000) 9.514 14.410 ( -0.223 -1.500 -0.000) 1.517 14.876 ( -10.157 13.928 0.000) 17.238 15.249 ( 3.194 10.442 0.000) 10.919 15.422 ( 1.831 0.163 -0.000) 1.838 15.629 ( -8.283 3.187 0.000) 8.875 15.634 ( 3.635 -1.704 -0.000) 4.014 16.776 ( 0.744 1.646 0.000) 1.806 16.824 ( -22.608 -22.987 0.000) 32.242 17.049 ( -9.843 -10.337 0.000) 14.274 17.335 ( 4.066 -4.627 -0.000) 6.160 18.981 ( -2.242 19.699 0.000) 19.826 20.663 ( 0.181 -3.457 -0.000) 3.462 20.889 ( 18.206 1.596 -0.000) 18.276 21.173 ( 3.176 0.219 -0.000) 3.183 ======================= Grid point 14 (12/160) ======================= q-point: (-0.26 0.43 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 20.712 -15.556 -0.092) 25.903 3.535 ( 25.070 -21.076 4.662) 33.082 4.352 ( 1.016 -0.980 -1.778) 2.270 4.752 ( 1.163 3.206 2.850) 4.445 5.211 ( -7.651 -11.931 -17.236) 22.315 5.351 ( -2.048 -5.314 -4.256) 7.110 5.468 ( -0.530 -3.671 0.200) 3.715 5.719 ( 0.611 -14.290 3.943) 14.836 5.960 ( 25.316 -8.537 6.343) 27.459 6.243 ( 5.950 -1.991 -10.294) 12.055 6.744 ( -1.283 -2.674 7.320) 7.898 8.113 ( 2.898 15.684 18.147) 24.160 8.597 ( 44.177 3.117 -0.759) 44.293 9.561 ( 5.456 0.237 4.225) 6.905 9.886 ( -35.652 4.080 -4.849) 36.211 10.268 ( 2.701 3.859 3.844) 6.080 10.481 ( -1.740 1.700 1.432) 2.823 10.514 ( 9.243 8.599 8.846) 15.415 10.806 ( -9.086 11.183 -7.095) 16.060 11.309 ( -2.750 -5.000 -7.170) 9.164 11.447 ( -8.564 -2.846 1.159) 9.099 11.740 ( 2.465 -16.408 -0.387) 16.597 11.855 ( -3.526 -18.005 -0.174) 18.348 12.617 ( -0.319 6.284 -0.378) 6.303 12.652 ( 13.565 4.766 -2.571) 14.606 12.918 ( 10.697 -5.689 -4.227) 12.832 13.211 ( -5.325 0.619 4.022) 6.702 14.052 ( 3.315 -12.419 -6.502) 14.405 14.537 ( -1.383 9.553 -0.739) 9.681 15.047 ( -7.423 3.331 -0.395) 8.146 15.274 ( 10.753 -11.325 -0.996) 15.648 15.480 ( 7.789 -8.300 -0.379) 11.389 15.650 ( 2.814 -12.923 2.203) 13.408 15.776 ( -0.794 -3.888 -1.493) 4.240 16.642 ( -4.471 -0.209 2.925) 5.347 16.991 ( -5.186 7.721 -5.318) 10.714 17.362 ( 5.074 20.792 0.957) 21.424 17.548 ( 4.948 16.250 6.022) 18.022 19.239 ( 10.460 -20.127 1.793) 22.754 20.172 ( -11.964 -7.680 -8.219) 16.422 20.761 ( -0.731 5.683 8.063) 9.892 21.132 ( -1.211 5.305 1.387) 5.615 ======================= Grid point 15 (13/160) ======================= q-point: ( 0.24 0.10 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 8.675 24.818 19.911) 32.980 2.590 ( 24.589 17.674 27.023) 40.586 4.152 ( 3.320 -5.173 0.900) 6.212 4.444 ( 10.173 43.337 33.098) 55.471 4.623 ( 2.281 -8.425 -5.530) 10.333 5.255 ( 4.969 -2.774 -6.808) 8.873 5.582 ( 5.926 -3.305 -3.406) 7.592 5.889 ( -7.876 14.987 -6.098) 17.995 6.042 ( -3.037 9.018 0.660) 9.539 6.130 ( -1.489 4.847 6.642) 8.357 6.457 ( -1.819 2.805 11.497) 11.973 7.004 ( 11.793 7.574 13.547) 19.493 8.370 ( -4.527 -10.202 11.973) 16.368 9.113 ( 11.134 9.399 1.332) 14.632 10.130 ( 12.184 -3.030 -6.389) 14.088 10.155 ( 5.042 -1.920 1.400) 5.574 10.541 ( 2.980 -1.877 11.496) 12.023 10.732 ( -6.927 12.732 15.382) 21.135 10.887 ( -4.176 -17.019 -12.054) 21.269 11.000 ( -0.387 9.093 -7.471) 11.775 11.324 ( 11.291 13.534 10.263) 20.396 11.890 ( 0.675 11.692 1.109) 11.764 11.956 ( -8.068 -9.819 -8.965) 15.552 12.331 ( 0.941 1.268 -8.876) 9.016 12.722 ( 1.528 -11.276 10.046) 15.179 12.996 ( -20.508 1.742 -0.213) 20.583 13.652 ( 6.857 0.341 1.256) 6.980 13.779 ( 2.678 2.461 3.130) 4.798 14.239 ( 6.863 4.918 -8.175) 11.752 14.643 ( 10.617 7.336 0.970) 12.941 15.024 ( -5.742 -0.763 1.157) 5.907 15.291 ( 2.397 -4.089 -5.014) 6.899 15.666 ( -0.349 4.923 1.205) 5.080 15.909 ( -7.905 2.472 2.260) 8.586 16.387 ( 11.893 1.027 1.414) 12.021 16.768 ( 4.936 -4.252 -0.455) 6.531 17.321 ( 0.491 -12.740 10.297) 16.388 17.599 ( -0.772 -9.411 7.637) 12.144 18.996 ( 0.881 19.414 1.860) 19.523 20.595 ( -2.236 3.738 -3.208) 5.410 21.164 ( -4.324 -1.443 0.219) 4.564 21.263 ( -6.158 -4.485 -3.790) 8.508 ======================= Grid point 16 (14/160) ======================= q-point: (-0.26 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -12.650 -14.453 -23.835) 30.611 3.562 ( -19.296 -15.702 -24.161) 34.679 4.227 ( -3.689 5.242 0.481) 6.428 4.651 ( -3.700 9.330 -0.846) 10.072 4.963 ( 4.690 -10.985 0.090) 11.944 5.233 ( -3.275 -3.242 -7.876) 9.125 5.633 ( 9.774 -9.195 -3.478) 13.863 5.747 ( -1.424 -5.413 0.187) 5.600 6.054 ( -3.860 -4.961 -2.044) 6.609 6.396 ( 5.267 -12.228 -21.556) 25.336 6.789 ( -23.210 -5.813 -5.153) 24.475 7.243 ( -2.181 1.124 -0.861) 2.600 8.573 ( -4.383 15.595 -7.966) 18.052 9.419 ( -13.457 -4.196 -2.883) 14.388 10.023 ( 0.845 9.822 15.972) 18.769 10.257 ( -5.582 4.226 2.076) 7.303 10.609 ( -3.004 5.999 7.307) 9.920 10.796 ( -1.370 -14.067 4.680) 14.888 10.894 ( -0.524 -4.177 -7.345) 8.466 11.069 ( -1.368 2.210 -18.450) 18.632 11.421 ( 8.726 -5.231 3.909) 10.899 11.661 ( -0.479 -0.557 4.096) 4.161 12.070 ( -2.306 -2.271 3.280) 4.608 12.205 ( 0.170 -4.120 0.779) 4.196 12.670 ( 15.417 -0.061 -5.334) 16.314 13.020 ( -3.364 4.270 -16.814) 17.671 13.566 ( 9.275 1.612 5.865) 11.092 13.857 ( -6.072 -3.533 -0.247) 7.029 14.398 ( -6.206 -5.041 -5.754) 9.851 14.775 ( -1.006 6.276 8.556) 10.658 15.058 ( -9.782 -4.021 -8.129) 13.340 15.352 ( -5.424 -0.817 -2.355) 5.969 15.685 ( -1.477 -4.039 0.041) 4.301 15.816 ( 6.198 -4.436 -0.985) 7.686 16.576 ( -5.804 -2.574 -1.840) 6.610 16.775 ( -2.631 4.146 5.865) 7.649 17.466 ( -0.060 15.759 -3.705) 16.189 17.728 ( 0.855 13.969 -5.196) 14.928 19.109 ( -4.105 -19.037 -5.594) 20.262 20.381 ( 10.547 -16.626 6.014) 20.587 20.997 ( 3.448 11.454 3.095) 12.356 21.205 ( 1.178 3.447 0.883) 3.748 ======================= Grid point 17 (15/160) ======================= q-point: ( 0.24 -0.57 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( -1.052 10.467 7.656) 13.011 4.037 ( -16.123 20.838 -0.379) 26.349 4.289 ( 1.753 2.989 0.571) 3.511 4.664 ( 1.070 10.207 5.851) 11.814 4.810 ( 2.916 8.994 10.313) 13.991 5.346 ( 0.800 0.903 -0.444) 1.286 5.414 ( -0.658 -6.358 -1.944) 6.681 5.776 ( 1.132 10.510 -2.302) 10.818 6.033 ( -13.486 2.828 16.083) 21.178 6.611 ( -2.117 -3.147 0.343) 3.809 6.778 ( -5.985 4.378 -7.016) 10.208 8.452 ( 12.276 -9.953 -11.048) 19.283 8.932 ( 24.058 -6.927 5.881) 25.717 9.409 ( -13.310 -3.651 -2.971) 14.117 9.853 ( -15.441 -5.928 -9.670) 19.159 10.065 ( 9.938 -7.915 8.580) 15.330 10.478 ( -5.072 -2.250 -3.284) 6.448 10.814 ( -0.768 10.063 -5.288) 11.394 10.884 ( 7.434 -0.298 -1.455) 7.581 11.066 ( -6.118 -3.844 0.622) 7.252 11.350 ( 2.334 4.407 -2.245) 5.469 11.751 ( -4.308 24.509 0.925) 24.902 11.961 ( -5.445 -1.540 -0.990) 5.745 12.278 ( 15.311 -7.313 11.414) 20.449 12.577 ( -0.419 -8.316 4.335) 9.388 13.224 ( -2.655 -4.067 -3.944) 6.257 13.472 ( -20.340 14.078 -7.703) 25.908 13.739 ( 7.883 10.240 18.289) 22.393 14.505 ( 0.985 -6.438 0.873) 6.571 14.926 ( 8.339 -5.545 -3.023) 10.460 15.482 ( -10.355 7.221 -0.582) 12.638 15.560 ( -1.964 9.964 2.769) 10.527 15.561 ( 5.385 4.185 6.132) 9.171 15.783 ( 1.850 8.459 -2.209) 8.936 16.661 ( 0.022 -3.344 -2.166) 3.985 16.818 ( 5.664 -4.344 -0.023) 7.138 17.455 ( -2.802 -20.367 -0.322) 20.562 17.692 ( -1.885 -13.939 -2.376) 14.265 19.430 ( -2.400 15.032 2.184) 15.378 19.880 ( -0.574 18.624 2.384) 18.785 20.898 ( 0.205 -9.810 -5.437) 11.218 21.149 ( 0.418 -6.252 -1.881) 6.542 ======================= Grid point 18 (16/160) ======================= q-point: (-0.26 0.10 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 23.692 -30.759 -6.956) 39.444 2.154 ( 21.317 -30.494 -12.340) 39.199 3.752 ( 14.321 -58.418 -29.442) 66.967 4.168 ( 3.646 2.532 -0.227) 4.445 4.783 ( -0.997 -0.560 9.090) 9.162 5.394 ( 12.571 2.869 5.860) 14.163 5.701 ( -2.180 -0.429 6.684) 7.044 5.907 ( -13.117 -0.927 -6.973) 14.885 6.027 ( -2.456 -0.190 -2.986) 3.870 6.108 ( -3.014 -19.902 9.696) 22.342 6.301 ( 9.068 -4.621 -5.220) 11.438 6.720 ( 15.110 -3.350 -12.479) 19.881 8.088 ( -4.367 8.351 -14.147) 16.998 9.096 ( 7.958 -11.351 -0.383) 13.868 10.125 ( 0.514 -0.957 -2.250) 2.499 10.161 ( 11.998 4.835 -2.492) 13.174 10.432 ( 4.177 -9.774 -3.923) 11.330 10.467 ( 0.614 -8.568 -3.732) 9.366 10.885 ( 9.110 -6.538 -8.837) 14.277 11.156 ( 0.254 -10.709 6.140) 12.347 11.275 ( -1.495 6.768 3.684) 7.849 11.976 ( -3.329 8.396 6.731) 11.265 12.116 ( -6.291 3.790 7.319) 10.369 12.460 ( -1.902 -2.937 3.475) 4.932 12.569 ( 3.489 11.522 -4.740) 12.938 13.011 ( -19.304 -6.690 0.766) 20.445 13.600 ( 3.998 -3.074 -3.167) 5.955 13.753 ( 8.267 -4.437 0.600) 9.402 14.443 ( -2.287 0.830 10.597) 10.872 14.667 ( 9.716 -10.188 2.338) 14.271 15.046 ( 2.305 -4.934 6.172) 8.231 15.400 ( -0.239 3.835 4.511) 5.925 15.614 ( -1.619 -9.502 -4.196) 10.513 15.815 ( -5.615 3.125 -7.909) 10.191 16.378 ( 17.141 6.065 0.054) 18.182 16.749 ( 8.634 5.621 -2.261) 10.548 17.072 ( 0.297 6.153 -12.290) 13.748 17.460 ( -1.530 5.628 -5.594) 8.081 18.969 ( 0.513 -19.075 -0.922) 19.104 20.646 ( -0.691 2.072 1.787) 2.822 21.126 ( -2.943 2.015 -2.242) 4.212 21.339 ( -13.158 1.244 2.857) 13.522 ======================= Grid point 19 (17/160) ======================= q-point: (-0.15 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( -17.109 -5.041 -21.524) 27.954 3.358 ( -8.535 -22.689 -22.531) 33.095 4.252 ( 3.069 -1.597 -3.355) 4.819 4.597 ( 12.380 -3.804 5.036) 13.896 4.659 ( 7.082 -7.877 4.738) 11.604 5.354 ( -5.750 -3.802 -9.988) 12.135 5.422 ( 2.516 3.837 -1.296) 4.768 5.687 ( -1.436 0.009 -0.470) 1.511 5.894 ( 2.187 -5.722 -5.762) 8.409 6.208 ( -7.021 -4.932 -14.440) 16.797 7.048 ( -2.753 2.264 -4.197) 5.506 7.760 ( -40.623 3.192 1.088) 40.763 8.973 ( -7.049 10.019 -10.312) 16.012 9.668 ( -15.873 1.528 -7.828) 17.765 10.072 ( 12.046 5.000 13.886) 19.051 10.337 ( -4.908 -8.393 -0.700) 9.748 10.483 ( 4.806 -3.586 10.307) 11.925 10.619 ( 9.440 -1.685 1.935) 9.782 10.761 ( -0.841 0.548 -3.073) 3.233 11.147 ( 0.021 -13.145 1.048) 13.187 11.283 ( 6.202 6.969 -8.809) 12.830 11.696 ( 8.799 -3.376 -0.792) 9.458 11.925 ( -5.123 7.231 -4.201) 9.807 12.261 ( -13.138 -2.376 -1.716) 13.461 12.591 ( 2.731 4.303 3.090) 5.960 13.051 ( 0.299 -3.435 -10.698) 11.240 13.452 ( 6.869 1.833 3.572) 7.956 13.682 ( 11.416 -7.110 1.243) 13.506 14.464 ( -7.976 -0.682 -2.702) 8.449 14.968 ( -4.036 5.480 3.060) 7.462 15.168 ( -8.893 -3.812 -8.398) 12.812 15.390 ( -1.072 -1.934 -1.707) 2.794 15.492 ( 1.985 -7.239 -2.611) 7.947 15.693 ( 2.212 -2.452 3.645) 4.919 16.677 ( -4.148 1.712 -2.131) 4.968 16.895 ( -2.268 2.340 6.910) 7.640 17.854 ( -1.343 17.219 -3.155) 17.557 18.012 ( 1.651 13.546 -0.702) 13.664 18.856 ( -9.571 -15.689 -10.885) 21.359 19.730 ( 15.169 -17.590 8.656) 24.788 21.160 ( -0.770 5.277 3.001) 6.120 21.286 ( 1.323 4.989 -0.788) 5.221 ======================= Grid point 20 (18/160) ======================= q-point: ( 0.35 0.31 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 8.887 10.246 13.377) 19.050 4.181 ( 9.913 -4.354 -5.365) 12.083 4.344 ( 8.351 -4.799 3.489) 10.244 4.739 ( 10.342 -3.648 8.521) 13.888 4.960 ( -6.126 10.921 4.173) 13.199 5.288 ( -4.842 4.555 0.161) 6.650 5.598 ( -9.064 3.448 -1.772) 9.858 5.911 ( -4.695 4.057 4.039) 7.404 6.323 ( 7.177 -3.421 7.883) 11.196 6.586 ( -16.232 2.637 8.523) 18.523 7.080 ( -4.347 12.734 -8.113) 15.712 7.819 ( 33.748 -6.786 -1.164) 34.443 8.255 ( 10.643 -19.567 0.809) 22.289 9.459 ( -1.695 0.221 0.772) 1.876 9.745 ( 3.272 -5.157 0.367) 6.118 10.241 ( -3.902 1.717 -7.357) 8.503 10.513 ( 13.394 -2.825 -8.973) 16.368 10.614 ( -17.162 -0.847 -3.163) 17.472 11.001 ( -9.289 -8.628 -10.597) 16.523 11.218 ( -5.020 11.424 -5.663) 13.703 11.488 ( 11.872 5.250 9.027) 15.812 11.798 ( 0.507 1.051 10.691) 10.755 12.050 ( 1.215 2.064 5.927) 6.392 12.213 ( 5.006 3.381 -6.169) 8.634 12.610 ( -11.062 6.374 6.814) 14.472 13.180 ( -5.933 -7.522 -1.667) 9.724 13.561 ( 11.504 -6.772 12.209) 18.090 14.055 ( -5.659 11.597 -1.675) 13.012 14.369 ( 1.264 -4.719 -0.438) 4.905 14.740 ( 2.485 1.802 0.825) 3.179 15.457 ( 9.941 1.964 4.510) 11.091 15.645 ( 9.163 4.295 4.423) 11.044 15.783 ( 5.678 -3.546 4.612) 8.129 15.845 ( -6.835 7.303 1.557) 10.123 16.594 ( 1.515 -2.372 -5.957) 6.588 16.736 ( 0.767 5.852 -1.743) 6.154 17.154 ( -2.635 -12.044 -2.991) 12.686 17.424 ( -3.453 -15.657 0.172) 16.034 19.673 ( 5.347 12.746 4.840) 14.645 20.379 ( -13.486 11.151 -7.143) 18.901 20.678 ( 2.693 -8.165 1.361) 8.705 21.039 ( -3.070 -4.550 -3.065) 6.287 ======================= Grid point 21 (19/160) ======================= q-point: (-0.15 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 -20.365 -33.878) 39.528 1.179 ( 0.000 -29.767 -25.545) 39.225 2.285 ( 0.000 -59.553 -47.773) 76.347 4.190 ( 0.000 1.864 -3.218) 3.719 4.744 ( -0.000 -4.916 4.459) 6.637 5.327 ( -0.000 3.069 2.321) 3.848 5.612 ( 0.000 -10.363 1.048) 10.415 5.881 ( -0.000 -0.082 14.102) 14.102 6.033 ( 0.000 -1.178 -0.035) 1.179 6.085 ( 0.000 0.435 -0.755) 0.871 6.209 ( 0.000 -0.816 -13.265) 13.290 6.445 ( 0.000 -1.418 -7.379) 7.514 8.252 ( 0.000 3.902 -16.902) 17.346 8.767 ( 0.000 -9.169 -0.321) 9.174 9.987 ( 0.000 -9.630 -0.253) 9.634 10.078 ( 0.000 0.676 -0.388) 0.779 10.212 ( 0.000 -2.290 -14.976) 15.150 10.287 ( 0.000 -9.177 -7.069) 11.584 10.557 ( 0.000 -4.649 -12.019) 12.887 11.036 ( -0.000 -0.274 3.951) 3.961 11.519 ( -0.000 -6.870 8.048) 10.582 11.828 ( -0.000 -12.017 22.724) 25.706 12.472 ( -0.000 -0.021 5.620) 5.620 12.505 ( -0.000 14.378 9.108) 17.020 12.729 ( 0.000 6.684 -5.470) 8.637 13.388 ( 0.000 0.796 -1.905) 2.065 13.459 ( 0.000 -3.617 -6.276) 7.244 13.460 ( 0.000 4.047 -1.647) 4.369 14.193 ( -0.000 -13.492 15.189) 20.316 14.395 ( 0.000 -8.294 2.229) 8.588 15.045 ( 0.000 0.843 -3.664) 3.759 15.441 ( 0.000 -8.507 -3.073) 9.045 15.480 ( -0.000 2.844 3.899) 4.826 16.120 ( 0.000 10.412 -9.563) 14.137 16.136 ( -0.000 0.265 4.811) 4.819 16.727 ( 0.000 2.065 -3.163) 3.778 17.348 ( 0.000 25.452 -24.943) 35.637 17.567 ( 0.000 4.373 -9.701) 10.641 18.630 ( 0.000 -12.041 -0.003) 12.041 20.609 ( -0.000 -9.917 9.610) 13.809 21.157 ( 0.000 0.122 -1.661) 1.665 21.575 ( -0.000 3.657 4.805) 6.038 ======================= Grid point 22 (20/160) ======================= q-point: ( 0.35 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -17.723 23.340 0.000) 29.306 3.472 ( -21.429 18.234 0.000) 28.137 4.303 ( -3.372 0.755 0.000) 3.455 4.649 ( 3.020 -1.115 -0.000) 3.219 5.510 ( -13.524 6.499 0.000) 15.004 5.512 ( 3.077 -0.413 -0.000) 3.104 5.677 ( -5.480 25.632 0.000) 26.211 5.790 ( 2.613 -0.482 -0.000) 2.657 6.251 ( -9.893 18.846 0.000) 21.285 6.343 ( 6.372 3.612 -0.000) 7.325 6.732 ( -2.273 11.526 0.000) 11.748 7.487 ( 2.154 -19.138 -0.000) 19.258 7.731 ( -43.018 5.243 0.000) 43.336 9.491 ( -3.985 4.918 0.000) 6.330 10.138 ( -2.958 0.374 0.000) 2.981 10.192 ( 4.224 0.194 -0.000) 4.229 10.366 ( -6.499 -6.794 0.000) 9.401 10.407 ( 24.043 -8.537 -0.000) 25.513 10.752 ( 9.346 -17.991 -0.000) 20.274 11.360 ( 2.601 -0.399 -0.000) 2.632 11.735 ( -5.032 8.199 0.000) 9.621 11.815 ( 3.212 0.432 -0.000) 3.241 12.243 ( -21.010 10.634 0.000) 23.548 12.456 ( -3.992 -10.403 -0.000) 11.143 12.660 ( 12.004 23.152 0.000) 26.079 12.885 ( -10.892 4.641 0.000) 11.839 13.245 ( 10.512 -6.979 -0.000) 12.618 14.188 ( -8.721 9.215 0.000) 12.687 14.394 ( 2.205 -7.474 -0.000) 7.793 15.168 ( 9.352 -5.527 -0.000) 10.863 15.419 ( -11.202 17.170 0.000) 20.501 15.458 ( -6.658 3.519 0.000) 7.531 15.811 ( -4.412 12.502 0.000) 13.257 15.844 ( -4.615 4.382 0.000) 6.364 16.766 ( -13.239 -14.781 0.000) 19.844 16.810 ( 1.754 3.189 0.000) 3.640 16.903 ( -0.157 -10.551 -0.000) 10.552 17.091 ( 5.902 -9.253 -0.000) 10.975 19.471 ( -5.546 17.825 0.000) 18.668 20.523 ( 16.119 -4.630 -0.000) 16.771 20.633 ( -2.336 -0.163 0.000) 2.342 21.067 ( 3.917 -4.124 -0.000) 5.688 ======================= Grid point 23 (21/160) ======================= q-point: (-0.15 0.31 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 27.745 -26.447 9.833) 39.572 2.616 ( 33.374 -13.360 1.073) 35.965 4.281 ( 3.217 -1.253 -3.459) 4.887 4.467 ( 43.049 -8.856 19.663) 48.148 4.863 ( 9.356 -6.956 1.142) 11.714 5.183 ( -8.888 -5.325 -16.502) 19.485 5.379 ( -9.002 -0.977 -1.767) 9.225 5.577 ( -2.067 -4.904 3.739) 6.504 5.781 ( -8.144 -4.065 3.592) 9.785 6.154 ( 3.489 1.090 -10.211) 10.846 6.618 ( 7.887 -3.141 14.358) 16.680 7.897 ( 42.823 9.464 -3.129) 43.967 8.322 ( 3.841 10.020 15.577) 18.916 9.350 ( 12.508 -4.124 5.387) 14.230 10.200 ( 5.221 -2.778 2.314) 6.350 10.392 ( 4.781 4.327 3.254) 7.223 10.523 ( 1.542 -0.125 1.463) 2.129 10.669 ( -22.445 4.349 0.037) 22.863 10.883 ( 0.850 -5.419 -3.843) 6.697 11.076 ( 15.198 -4.577 4.195) 16.417 11.225 ( -2.520 -23.210 -7.532) 24.532 11.534 ( 2.616 -2.186 -0.507) 3.446 12.024 ( -11.280 -0.984 0.386) 11.329 12.143 ( 6.067 4.104 -2.655) 7.791 12.861 ( -1.997 6.624 1.386) 7.055 12.960 ( 4.141 7.588 -7.424) 11.394 13.417 ( -13.245 1.053 3.314) 13.694 13.753 ( 1.273 -9.604 -1.176) 9.759 14.527 ( 11.369 -0.445 -3.108) 11.794 14.872 ( 10.761 -5.265 3.391) 12.451 15.034 ( 2.486 -6.370 0.830) 6.888 15.361 ( -3.334 -0.619 0.071) 3.392 15.464 ( -1.549 -4.142 -2.756) 5.211 15.724 ( -0.786 -0.664 1.737) 2.019 16.703 ( -1.411 0.522 0.287) 1.531 17.175 ( -0.356 3.905 -8.903) 9.728 17.688 ( 6.209 19.737 5.143) 21.320 17.770 ( 7.677 15.205 7.456) 18.593 18.648 ( 4.174 -19.197 1.400) 19.695 20.202 ( -10.639 -10.292 -14.917) 21.015 20.938 ( -4.133 5.012 13.964) 15.401 21.206 ( 0.760 1.646 1.635) 2.442 ======================= Grid point 24 (22/160) ======================= q-point: ( 0.35 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -0.000 22.536 19.665) 29.910 2.845 ( -0.000 29.285 9.499) 30.787 3.918 ( 0.000 -9.900 -6.312) 11.741 4.386 ( 0.000 -10.634 -15.427) 18.737 5.040 ( 0.000 -4.326 -4.445) 6.203 5.240 ( -0.000 24.287 10.403) 26.421 5.616 ( -0.000 11.927 0.479) 11.937 6.110 ( 0.000 -0.123 0.022) 0.125 6.114 ( -0.000 6.821 7.918) 10.451 6.523 ( 0.000 24.158 -9.115) 25.820 6.744 ( -0.000 3.668 22.245) 22.545 6.967 ( -0.000 9.876 15.582) 18.448 8.235 ( -0.000 -8.705 10.523) 13.657 9.186 ( 0.000 7.094 -3.866) 8.079 9.889 ( 0.000 -5.897 1.957) 6.214 10.073 ( 0.000 -2.312 -8.262) 8.579 10.382 ( 0.000 -26.838 -17.528) 32.055 10.537 ( -0.000 2.065 1.894) 2.802 11.037 ( -0.000 7.919 9.778) 12.583 11.395 ( -0.000 10.383 18.587) 21.290 11.481 ( -0.000 24.824 -3.843) 25.119 11.785 ( -0.000 -10.027 4.746) 11.094 12.079 ( 0.000 4.167 -4.160) 5.888 12.309 ( 0.000 -0.837 -9.077) 9.116 12.415 ( -0.000 -14.370 9.530) 17.243 13.393 ( -0.000 -0.190 1.535) 1.547 13.474 ( 0.000 5.785 -13.484) 14.672 13.875 ( -0.000 7.301 10.208) 12.550 14.246 ( 0.000 1.838 -7.370) 7.596 14.716 ( -0.000 6.290 -1.594) 6.489 15.097 ( 0.000 -7.381 -10.200) 12.590 15.153 ( -0.000 5.450 0.720) 5.497 15.614 ( 0.000 -6.813 0.798) 6.860 16.084 ( 0.000 0.989 -1.345) 1.669 16.354 ( -0.000 10.111 10.543) 14.608 16.640 ( -0.000 -3.769 2.416) 4.476 17.198 ( -0.000 -0.308 4.949) 4.959 17.427 ( -0.000 -8.143 4.335) 9.225 19.397 ( -0.000 18.417 1.187) 18.455 20.510 ( 0.000 -8.383 -0.780) 8.420 21.173 ( -0.000 -2.246 3.578) 4.225 21.296 ( 0.000 -1.424 -5.984) 6.151 ======================= Grid point 25 (23/160) ======================= q-point: ( 0.47 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( -6.919 6.671 0.000) 9.611 4.056 ( -4.058 7.520 0.000) 8.545 4.385 ( -2.099 4.948 0.000) 5.374 4.464 ( 6.510 -6.203 -0.000) 8.992 5.407 ( 0.503 -3.580 -0.000) 3.615 5.419 ( 1.489 -1.758 -0.000) 2.304 5.903 ( -8.696 3.302 0.000) 9.302 6.079 ( 9.050 -7.163 -0.000) 11.541 6.501 ( -14.968 8.534 0.000) 17.230 6.786 ( 13.835 1.335 -0.000) 13.899 6.937 ( -3.416 29.360 0.000) 29.558 6.984 ( 2.124 -24.520 -0.000) 24.612 8.777 ( -44.114 10.788 0.000) 45.414 9.493 ( 24.427 -4.552 -0.000) 24.847 9.903 ( 3.743 5.539 0.000) 6.685 9.972 ( 6.699 -11.926 -0.000) 13.679 10.230 ( -2.930 2.603 0.000) 3.919 10.332 ( 6.913 -1.607 -0.000) 7.097 10.507 ( -14.704 3.253 0.000) 15.059 10.840 ( 20.046 -8.376 -0.000) 21.725 12.014 ( -4.417 -2.202 0.000) 4.935 12.030 ( -3.394 6.254 0.000) 7.116 12.364 ( -6.159 -3.138 0.000) 6.912 12.450 ( 1.551 -2.410 -0.000) 2.866 12.850 ( -0.998 11.512 0.000) 11.556 12.912 ( 5.090 -11.300 -0.000) 12.393 13.573 ( -18.373 21.022 0.000) 27.919 13.935 ( 18.051 -15.356 -0.000) 23.699 14.573 ( -11.569 8.444 0.000) 14.323 14.792 ( 11.007 -9.862 -0.000) 14.779 15.756 ( -11.320 2.041 0.000) 11.503 15.904 ( 2.544 5.734 0.000) 6.273 15.940 ( -5.037 3.948 0.000) 6.400 16.007 ( 1.581 -2.492 -0.000) 2.951 16.675 ( -3.319 -4.701 -0.000) 5.755 16.728 ( -5.631 -4.336 0.000) 7.107 16.782 ( 1.773 -9.313 -0.000) 9.481 16.932 ( 8.897 15.020 0.000) 17.458 19.897 ( -8.393 9.975 0.000) 13.036 20.097 ( 12.449 -9.851 -0.000) 15.875 20.767 ( -4.993 5.566 0.000) 7.477 20.864 ( 5.148 -5.916 -0.000) 7.843 ======================= Grid point 26 (24/160) ======================= q-point: (-0.03 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 27.740 -0.000 23.731) 36.506 1.732 ( 38.624 0.000 7.193) 39.288 3.264 ( 61.237 -0.000 34.488) 70.281 4.220 ( 1.357 0.000 -1.238) 1.837 4.720 ( 2.612 -0.000 1.613) 3.070 5.330 ( -9.872 0.000 -12.451) 15.890 5.483 ( -0.453 -0.000 3.232) 3.264 5.683 ( -13.940 -0.000 1.068) 13.981 5.877 ( -6.719 -0.000 -1.325) 6.849 6.122 ( 2.241 0.000 -6.474) 6.850 6.345 ( 15.909 -0.000 9.780) 18.674 7.312 ( 31.499 0.000 -4.415) 31.807 8.359 ( 4.157 -0.000 15.125) 15.686 9.005 ( 14.747 0.000 3.521) 15.161 10.008 ( 7.170 0.000 0.500) 7.187 10.329 ( 9.043 -0.000 10.195) 13.628 10.355 ( 7.837 0.000 0.588) 7.859 10.628 ( 9.724 0.000 3.710) 10.407 10.737 ( 13.064 -0.000 17.774) 22.058 11.086 ( -7.035 0.000 -10.632) 12.749 11.157 ( 13.953 0.000 0.383) 13.958 11.264 ( -21.766 -0.000 -6.086) 22.601 12.211 ( -8.952 -0.000 0.923) 8.999 12.404 ( -12.000 0.000 -10.888) 16.204 12.917 ( 3.107 -0.000 2.321) 3.878 12.956 ( 4.038 0.000 -1.246) 4.226 13.627 ( -2.148 -0.000 2.708) 3.457 13.644 ( -0.213 -0.000 1.318) 1.335 14.344 ( 1.832 0.000 -6.681) 6.928 14.626 ( 7.952 -0.000 6.048) 9.991 14.969 ( -2.986 -0.000 3.794) 4.828 15.368 ( 6.301 0.000 -9.921) 11.753 15.437 ( -3.544 0.000 -1.595) 3.886 15.793 ( -5.347 -0.000 3.610) 6.452 16.705 ( 2.477 0.000 -4.495) 5.132 17.142 ( 9.078 0.000 -10.033) 13.530 17.690 ( 9.271 -0.000 15.677) 18.213 17.995 ( -1.465 -0.000 0.692) 1.620 18.435 ( -2.975 -0.000 -1.261) 3.231 20.186 ( -5.091 0.000 -13.609) 14.530 21.091 ( -6.365 -0.000 15.862) 17.091 21.201 ( 0.331 -0.000 3.754) 3.769 ======================= Grid point 27 (25/160) ======================= q-point: ( 0.47 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( -15.715 21.327 8.609) 27.855 3.493 ( -5.870 21.506 -2.023) 22.384 3.787 ( -7.507 -7.787 -9.767) 14.573 4.266 ( -7.162 -4.501 -20.803) 22.457 5.127 ( -11.895 -1.390 -3.954) 12.612 5.379 ( 1.357 1.617 -7.443) 7.736 5.793 ( 1.903 0.870 -0.274) 2.110 6.113 ( 3.325 1.866 0.608) 3.861 6.292 ( 1.686 -3.510 12.072) 12.684 6.760 ( 1.007 12.842 6.883) 14.605 6.930 ( 5.975 21.328 -1.912) 22.232 7.267 ( -9.009 -0.583 10.086) 13.536 8.031 ( 9.150 1.021 8.931) 12.827 9.383 ( -11.291 1.238 -2.690) 11.672 9.703 ( 3.260 -12.942 -7.947) 15.533 9.917 ( -4.525 -7.365 0.670) 8.670 10.218 ( -11.421 -0.505 -8.274) 14.112 10.671 ( -3.171 6.938 -4.004) 8.616 11.135 ( 4.477 6.744 9.152) 12.218 11.490 ( 12.145 -2.105 9.280) 15.429 11.546 ( -1.414 -1.356 9.034) 9.244 11.902 ( -4.947 -0.078 -6.113) 7.864 12.039 ( -2.672 -13.533 4.806) 14.608 12.128 ( -0.231 -0.130 4.776) 4.783 12.580 ( -6.673 17.115 -9.336) 20.606 13.238 ( 11.039 4.801 -6.915) 13.883 13.746 ( -5.826 2.909 -7.145) 9.668 13.793 ( 11.453 -2.988 0.503) 11.847 14.343 ( -8.502 0.081 5.620) 10.192 14.784 ( 0.915 -1.911 -8.975) 9.222 15.065 ( -9.269 -0.422 -6.376) 11.258 15.373 ( -4.671 6.727 -8.208) 11.595 15.479 ( -0.354 -2.159 4.367) 4.884 16.066 ( 2.309 0.369 -0.233) 2.350 16.568 ( -0.776 -1.600 5.232) 5.526 16.614 ( -6.570 2.633 5.460) 8.939 17.206 ( 2.078 -1.971 2.016) 3.502 17.313 ( 3.348 6.073 1.648) 7.128 19.678 ( -1.002 3.813 -1.000) 4.068 20.412 ( -2.112 0.996 -2.859) 3.691 21.034 ( 6.098 -7.087 6.580) 11.432 21.195 ( 5.346 -1.054 -0.658) 5.489 ======================= Grid point 28 (26/160) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -5.319 0.000 -8.818) 10.297 3.251 ( -9.152 0.000 -11.333) 14.566 4.167 ( 1.744 0.000 -1.887) 2.569 4.282 ( 9.979 0.000 4.114) 10.794 4.438 ( 4.513 -0.000 2.693) 5.255 5.289 ( 4.096 0.000 0.098) 4.097 5.358 ( 0.590 0.000 0.142) 0.607 5.797 ( -0.759 0.000 -1.550) 1.726 5.867 ( -1.533 0.000 -1.761) 2.335 6.483 ( -22.481 0.000 -13.173) 26.056 6.932 ( 15.698 0.000 3.707) 16.130 8.609 ( -37.155 -0.000 2.383) 37.232 9.210 ( -7.890 0.000 -11.530) 13.971 9.639 ( 32.007 0.000 11.244) 33.924 10.011 ( -11.432 0.000 -8.338) 14.150 10.338 ( -5.658 0.000 -5.530) 7.912 10.423 ( 3.792 -0.000 11.073) 11.704 10.508 ( 1.949 -0.000 1.419) 2.411 10.704 ( 1.194 0.000 -2.198) 2.501 10.942 ( 3.075 -0.000 3.232) 4.461 11.217 ( 4.808 0.000 -2.440) 5.392 11.422 ( 8.072 0.000 2.555) 8.467 12.264 ( -5.987 0.000 -12.019) 13.427 12.599 ( 2.467 -0.000 7.428) 7.827 12.600 ( -22.832 -0.000 -0.035) 22.832 12.964 ( 0.114 0.000 -5.751) 5.753 13.256 ( 19.485 0.000 2.900) 19.699 13.382 ( 2.862 -0.000 1.270) 3.131 14.604 ( -4.619 -0.000 -0.937) 4.714 15.093 ( -3.072 -0.000 -0.701) 3.151 15.220 ( -2.124 0.000 -2.103) 2.989 15.303 ( 3.600 0.000 -0.601) 3.650 15.468 ( -3.243 0.000 -3.229) 4.577 15.616 ( 2.044 -0.000 3.851) 4.360 16.752 ( -1.116 0.000 -1.346) 1.749 16.954 ( -1.158 -0.000 3.188) 3.392 18.062 ( -0.527 0.000 -1.237) 1.345 18.184 ( 1.497 -0.000 2.472) 2.890 18.897 ( -14.612 0.000 -16.340) 21.920 19.210 ( 15.677 -0.000 12.939) 20.327 21.248 ( -1.857 -0.000 2.330) 2.980 21.309 ( 1.808 0.000 -1.520) 2.362 ======================= Grid point 29 (27/160) ======================= q-point: (-0.53 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.602 ( 12.860 -18.772 4.245) 23.147 3.704 ( 18.210 -12.449 -10.445) 24.406 3.978 ( 11.958 5.094 5.445) 14.092 4.452 ( 11.650 1.136 16.880) 20.541 5.235 ( -2.847 5.191 3.415) 6.835 5.421 ( 4.596 -0.532 7.240) 8.592 5.746 ( -4.123 -2.139 -1.322) 4.830 5.996 ( -5.944 -4.758 -4.974) 9.095 6.252 ( -3.270 5.109 0.119) 6.067 6.764 ( -10.156 -18.196 0.190) 20.839 6.967 ( 22.774 -12.159 -6.323) 26.580 7.430 ( 8.380 8.430 -6.727) 13.657 7.850 ( -8.272 -7.582 -5.758) 12.612 9.574 ( 5.885 -4.155 -0.022) 7.204 9.653 ( -1.343 15.325 10.482) 18.616 10.060 ( 11.159 2.670 -3.204) 11.913 10.402 ( 5.919 2.695 -6.397) 9.122 10.815 ( 8.586 -2.808 4.929) 10.291 10.991 ( -9.642 -11.442 -10.178) 18.096 11.246 ( -10.527 2.271 -2.177) 10.987 11.589 ( 1.617 5.943 -4.785) 7.799 11.972 ( 0.531 -5.835 7.000) 9.128 12.010 ( -1.293 9.086 8.130) 12.260 12.191 ( 3.757 7.567 -10.224) 13.263 12.731 ( 7.369 -10.364 4.458) 13.476 13.060 ( -7.113 -11.679 7.244) 15.474 13.460 ( -13.223 3.717 -3.482) 14.170 13.993 ( 12.547 -1.200 6.164) 14.031 14.417 ( -1.494 0.096 -5.993) 6.177 14.805 ( 2.509 5.412 10.867) 12.396 15.265 ( 10.939 -2.930 4.582) 12.216 15.490 ( 5.097 -9.904 2.348) 11.383 15.527 ( 7.981 5.193 1.396) 9.623 16.011 ( -3.477 -0.960 0.769) 3.688 16.583 ( 0.948 3.309 -3.825) 5.146 16.764 ( 8.133 -0.830 -5.453) 9.827 17.144 ( -4.657 4.585 -3.279) 7.311 17.225 ( -5.553 -9.241 -0.618) 10.799 19.714 ( 2.980 -4.006 0.197) 4.996 20.464 ( 2.797 -0.456 2.237) 3.610 20.849 ( -12.252 6.349 -5.355) 14.801 21.089 ( -5.523 0.235 0.064) 5.528 ======================= Grid point 30 (28/160) ======================= q-point: (-0.03 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -25.651 0.000 -28.226) 38.140 1.138 ( -19.227 0.000 -36.634) 41.373 2.126 ( -55.195 0.000 -50.256) 74.647 4.209 ( -0.045 0.000 -3.088) 3.089 4.672 ( -2.084 0.000 -2.084) 2.947 5.457 ( 0.418 -0.000 5.368) 5.384 5.492 ( 0.559 0.000 -1.747) 1.835 5.923 ( 9.918 0.000 -1.539) 10.037 5.955 ( -8.453 -0.000 11.974) 14.658 5.995 ( 3.334 0.000 1.313) 3.583 6.164 ( -1.700 0.000 -5.319) 5.584 6.813 ( -23.199 -0.000 3.278) 23.429 8.306 ( -0.925 0.000 -16.871) 16.897 8.763 ( -9.808 -0.000 -1.628) 9.943 9.897 ( -4.227 -0.000 -0.632) 4.274 10.178 ( -8.917 0.000 -5.900) 10.692 10.203 ( -3.970 0.000 -12.165) 12.796 10.366 ( -13.698 -0.000 -4.787) 14.511 10.583 ( -3.387 0.000 -15.446) 15.812 11.034 ( -1.668 -0.000 -0.508) 1.744 11.130 ( -2.998 -0.000 11.600) 11.981 11.631 ( 15.329 0.000 6.218) 16.542 12.378 ( 8.420 0.000 -1.027) 8.482 12.592 ( 7.286 -0.000 11.712) 13.794 12.846 ( -3.695 0.000 -4.235) 5.621 12.977 ( 9.939 0.000 -9.101) 13.477 13.519 ( -8.805 0.000 -5.338) 10.296 13.646 ( 0.046 0.000 -1.132) 1.133 14.329 ( -3.226 -0.000 6.132) 6.929 14.484 ( -15.630 -0.000 11.423) 19.359 15.029 ( 2.620 0.000 -5.360) 5.966 15.274 ( 0.436 -0.000 5.390) 5.407 15.491 ( 1.987 -0.000 2.901) 3.516 15.913 ( 8.137 0.000 -2.984) 8.666 16.584 ( -12.037 -0.000 11.367) 16.556 16.896 ( -14.031 -0.000 2.686) 14.286 17.598 ( -1.895 0.000 -11.646) 11.799 18.018 ( 0.877 0.000 -0.210) 0.902 18.480 ( 1.638 -0.000 1.020) 1.929 20.263 ( 2.960 -0.000 7.426) 7.994 21.160 ( 0.016 0.000 -1.862) 1.862 21.337 ( 16.868 0.000 -16.887) 23.868 ======================= Grid point 31 (29/160) ======================= q-point: ( 0.09 0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 13.747 7.550 7.976) 17.596 3.452 ( 0.073 20.108 10.322) 22.602 4.200 ( -2.274 3.271 0.480) 4.012 4.374 ( -7.509 8.233 -3.141) 11.577 4.540 ( -4.268 8.634 -2.669) 9.994 5.345 ( 0.379 0.511 0.650) 0.909 5.412 ( -2.740 8.067 -0.222) 8.523 5.730 ( 2.183 -4.034 0.315) 4.598 5.850 ( -2.030 -2.224 3.050) 4.286 6.502 ( 19.351 1.709 11.766) 22.711 6.904 ( -13.904 -2.291 -3.499) 14.519 8.584 ( 36.173 -1.897 -1.060) 36.238 9.105 ( 9.117 -9.989 9.932) 16.779 9.594 ( -27.782 -3.444 -9.947) 29.709 10.002 ( 11.052 -3.795 10.975) 16.031 10.251 ( -14.076 -5.485 -11.964) 19.271 10.444 ( 4.945 8.584 2.539) 10.226 10.542 ( -2.398 0.242 -2.245) 3.294 10.844 ( 6.349 4.256 0.607) 7.668 11.122 ( -1.251 16.301 1.056) 16.383 11.170 ( -5.019 -0.336 1.611) 5.282 11.455 ( -9.696 3.423 -3.040) 10.722 12.109 ( 7.521 -10.608 10.199) 16.526 12.422 ( 1.403 -11.619 -9.933) 15.350 12.662 ( 8.213 -0.630 -0.474) 8.251 13.100 ( 7.183 11.345 15.069) 20.184 13.356 ( -3.071 -0.643 -1.314) 3.401 13.386 ( -17.250 9.257 -8.017) 21.155 14.576 ( 3.259 -2.765 0.567) 4.312 15.068 ( 4.803 -2.613 -1.002) 5.559 15.285 ( 3.187 5.894 4.092) 7.851 15.351 ( -3.564 4.483 1.167) 5.845 15.482 ( 0.460 1.402 0.405) 1.530 15.673 ( -0.294 5.330 -1.936) 5.678 16.721 ( 0.817 -2.662 1.007) 2.961 16.931 ( 1.248 -2.110 -3.065) 3.925 17.883 ( 1.442 -19.711 2.247) 19.891 17.973 ( -1.892 -10.530 -1.096) 10.755 19.062 ( 10.368 12.232 8.856) 18.318 19.452 ( -12.253 19.531 -7.635) 24.287 21.173 ( 0.453 -7.291 -1.208) 7.404 21.268 ( -0.498 -3.347 0.491) 3.419 ======================= Grid point 32 (30/160) ======================= q-point: (-0.41 0.08 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 12.802 -26.883 -10.808) 31.677 3.000 ( 16.705 -21.724 -15.548) 31.508 3.986 ( 6.741 9.271 4.958) 12.489 4.423 ( 3.802 9.280 14.499) 17.630 5.165 ( 9.880 -2.403 0.002) 10.168 5.253 ( 2.062 -14.390 -1.151) 14.582 5.627 ( 1.374 -11.502 -1.883) 11.735 6.039 ( -6.431 -4.497 -1.759) 8.042 6.183 ( 5.760 -6.310 -7.999) 11.703 6.469 ( -11.899 -15.403 -7.507) 20.861 6.556 ( -0.799 -11.858 -3.600) 12.418 7.179 ( 11.709 -7.841 -13.884) 19.783 8.141 ( -7.941 10.155 -9.810) 16.199 9.292 ( 9.393 -6.906 1.126) 11.713 9.988 ( 8.389 10.735 1.228) 13.679 10.077 ( 0.341 4.837 6.398) 8.028 10.424 ( 4.375 20.475 14.866) 25.678 10.557 ( 3.522 -3.382 -1.833) 5.215 10.959 ( -7.506 -9.076 -15.081) 19.135 11.323 ( -2.966 -14.944 -2.542) 15.446 11.623 ( 6.774 -6.543 -5.390) 10.851 11.760 ( -1.316 -0.262 -0.278) 1.370 12.063 ( -0.687 -3.682 2.422) 4.460 12.362 ( 5.198 -2.781 8.914) 10.686 12.431 ( 1.737 15.803 -10.605) 19.111 13.107 ( -17.258 -7.108 4.123) 19.114 13.680 ( 6.528 -2.519 2.689) 7.496 13.815 ( -2.785 -0.664 -1.397) 3.185 14.324 ( 5.815 -2.481 1.536) 6.506 14.770 ( 6.337 -3.632 3.663) 8.171 15.051 ( -1.375 -2.539 6.736) 7.329 15.235 ( 5.758 -0.886 2.044) 6.174 15.618 ( 0.656 6.802 -0.911) 6.894 16.012 ( -5.201 -4.723 -1.251) 7.136 16.471 ( 9.144 -6.465 -6.917) 13.162 16.669 ( 3.054 4.777 -1.347) 5.828 17.181 ( -1.658 0.796 -5.258) 5.571 17.403 ( -2.441 8.863 -4.435) 10.206 19.407 ( 1.094 -18.378 -1.431) 18.466 20.527 ( 1.693 7.772 0.658) 7.982 21.133 ( -6.174 2.331 -2.909) 7.212 21.211 ( -6.332 1.013 4.688) 7.944 ======================= Grid point 33 (31/160) ======================= q-point: ( 0.09 -0.26 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -33.994 20.956 -2.302) 40.000 2.082 ( -24.498 29.425 -18.897) 42.698 3.482 ( -53.178 21.762 -31.911) 65.725 4.237 ( -1.999 1.135 -0.010) 2.299 4.767 ( -3.042 2.550 -0.632) 4.020 5.368 ( 8.592 4.633 12.273) 15.682 5.529 ( 4.825 4.589 0.862) 6.714 5.678 ( 9.683 0.991 -1.973) 9.932 5.929 ( 6.185 3.188 -0.587) 6.983 6.085 ( -5.314 -3.534 8.382) 10.535 6.397 ( -14.000 5.461 -11.682) 19.034 7.181 ( -30.362 -8.678 0.232) 31.579 8.252 ( -2.813 -8.857 -14.924) 17.581 9.101 ( -13.187 7.548 -3.505) 15.593 10.107 ( -4.604 7.467 -1.554) 8.909 10.241 ( -6.521 -3.765 -11.413) 13.674 10.455 ( -6.134 5.756 0.477) 8.425 10.685 ( -19.206 -1.754 -4.595) 19.826 10.864 ( -4.157 9.894 -4.729) 11.727 11.058 ( -1.486 1.628 5.958) 6.353 11.228 ( 9.579 0.142 2.698) 9.953 11.480 ( 6.489 24.566 5.962) 26.098 12.208 ( 10.658 -2.253 0.289) 10.897 12.269 ( 9.580 -9.580 6.593) 15.067 12.843 ( -3.233 -6.894 -2.836) 8.126 12.889 ( -2.181 -4.926 2.975) 6.154 13.621 ( 3.565 -0.674 -2.438) 4.371 13.725 ( -1.586 6.371 -1.113) 6.659 14.372 ( -1.433 1.881 5.235) 5.745 14.679 ( -8.918 5.513 -4.367) 11.357 15.023 ( -0.083 4.458 0.694) 4.512 15.416 ( 0.290 0.320 3.818) 3.843 15.434 ( -1.498 4.147 3.597) 5.690 15.781 ( 4.643 -1.166 -3.729) 6.068 16.690 ( -3.532 -1.379 5.174) 6.415 17.094 ( -9.484 -4.601 8.506) 13.545 17.586 ( -3.676 -16.480 -11.389) 20.366 17.605 ( -9.273 -19.143 -9.783) 23.412 18.614 ( -0.093 14.974 -0.325) 14.977 20.404 ( 10.153 14.016 13.068) 21.687 21.046 ( 7.855 -3.907 -12.331) 15.133 21.198 ( 0.433 -0.340 -2.969) 3.020 ======================= Grid point 34 (32/160) ======================= q-point: (-0.41 0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( 18.261 -13.758 -0.000) 22.864 3.818 ( 15.214 -14.236 -0.000) 20.836 4.348 ( 1.452 0.392 -0.000) 1.504 4.599 ( -2.416 5.912 0.000) 6.387 5.449 ( -6.908 0.744 0.000) 6.948 5.455 ( -3.610 0.575 0.000) 3.656 5.761 ( 0.339 -9.464 -0.000) 9.470 6.017 ( 0.056 -13.131 -0.000) 13.131 6.219 ( 16.377 -24.420 -0.000) 29.403 6.483 ( 8.965 -4.595 -0.000) 10.074 6.720 ( -2.862 -4.606 -0.000) 5.423 7.489 ( 1.501 22.135 0.000) 22.186 8.609 ( 46.126 -4.293 -0.000) 46.326 9.533 ( -3.527 -0.439 0.000) 3.554 9.869 ( -27.940 1.872 0.000) 28.003 10.131 ( -2.219 4.518 0.000) 5.034 10.245 ( 7.919 4.341 -0.000) 9.031 10.438 ( -2.053 2.062 0.000) 2.910 10.599 ( -2.271 14.952 0.000) 15.124 11.065 ( -22.180 12.207 0.000) 25.317 11.797 ( 1.824 -14.501 -0.000) 14.615 11.920 ( 9.023 -8.199 -0.000) 12.192 12.437 ( -10.639 -18.520 -0.000) 21.359 12.498 ( 0.004 7.430 0.000) 7.430 12.586 ( 12.775 0.324 -0.000) 12.780 13.095 ( -5.872 5.625 0.000) 8.131 13.186 ( 20.576 -14.847 -0.000) 25.374 14.257 ( -10.996 14.837 0.000) 18.468 14.369 ( 9.911 -10.808 -0.000) 14.664 14.961 ( -12.102 6.039 0.000) 13.525 15.615 ( 9.367 -15.994 -0.000) 18.535 15.656 ( 12.062 -7.141 -0.000) 14.017 15.883 ( -1.196 -3.714 -0.000) 3.902 15.895 ( 4.174 -11.150 -0.000) 11.906 16.686 ( -8.584 -7.545 0.000) 11.428 16.856 ( -4.577 9.385 0.000) 10.441 16.941 ( 1.610 17.822 0.000) 17.895 17.107 ( 8.593 16.842 0.000) 18.908 19.615 ( 9.516 -16.430 -0.000) 18.987 20.243 ( -12.878 4.107 0.000) 13.517 20.684 ( 2.967 -2.521 -0.000) 3.893 20.993 ( -3.960 6.165 0.000) 7.327 ======================= Grid point 35 (33/160) ======================= q-point: ( 0.09 0.08 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 23.355 26.971 12.360) 37.758 1.603 ( 26.992 24.970 25.838) 44.941 2.605 ( 34.013 44.211 44.136) 71.130 4.205 ( 1.331 -0.768 2.390) 2.842 4.736 ( 0.152 3.994 -1.560) 4.291 5.438 ( 4.019 -1.267 -5.022) 6.555 5.587 ( -2.271 8.435 -0.990) 8.791 5.885 ( -4.582 -1.488 -0.339) 4.829 5.932 ( -0.503 -0.952 -9.293) 9.355 6.017 ( -3.486 1.401 0.773) 3.836 6.215 ( 4.626 3.977 7.075) 9.342 6.725 ( 19.771 -3.937 5.431) 20.878 8.233 ( -0.794 -5.611 15.795) 16.780 8.872 ( 9.941 9.084 1.530) 13.553 10.026 ( 3.559 9.303 0.411) 9.969 10.162 ( 3.089 1.353 11.347) 11.838 10.273 ( 11.216 4.866 1.034) 12.270 10.397 ( 9.464 -1.648 6.491) 11.594 10.656 ( 10.691 10.866 11.735) 19.238 11.029 ( -0.604 0.590 -4.467) 4.546 11.452 ( -7.488 1.640 -4.568) 8.924 11.690 ( -12.473 18.947 -19.033) 29.611 12.395 ( -8.007 1.885 0.276) 8.230 12.433 ( -6.971 -14.139 -9.370) 18.339 12.770 ( 3.650 -6.895 4.685) 9.101 12.953 ( -12.548 -0.730 5.692) 13.798 13.544 ( 7.430 2.151 4.673) 9.037 13.679 ( 4.074 2.711 0.983) 4.991 14.400 ( 1.018 4.954 -11.427) 12.496 14.508 ( 13.242 3.235 -5.348) 14.643 15.009 ( -0.737 -0.587 0.497) 1.066 15.390 ( -1.800 9.367 0.922) 9.583 15.467 ( -1.483 -2.190 -3.280) 4.214 15.888 ( -7.255 -2.448 3.981) 8.630 16.522 ( 15.962 -5.820 -8.978) 19.216 16.853 ( 12.707 -3.914 -0.483) 13.305 17.422 ( 7.632 -28.605 19.898) 35.671 17.565 ( 0.032 -5.314 10.611) 11.867 18.623 ( -0.627 12.681 0.041) 12.696 20.559 ( -5.454 12.369 -11.047) 17.458 21.153 ( -0.944 -0.716 2.014) 2.336 21.344 ( -16.620 0.437 6.479) 17.843 ======================= Grid point 36 (34/160) ======================= q-point: (-0.41 -0.26 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( -7.534 -9.768 -19.677) 23.224 3.966 ( -12.171 12.081 4.465) 17.721 4.113 ( -14.165 5.561 -9.411) 17.893 4.512 ( -11.132 8.869 -13.107) 19.349 5.110 ( 6.686 -5.931 -2.681) 9.331 5.387 ( 3.265 -3.827 -3.725) 6.259 5.741 ( 3.903 -2.055 1.682) 4.721 6.006 ( 4.373 -6.134 -1.364) 7.655 6.117 ( -8.819 -4.432 2.744) 10.244 6.918 ( 13.792 -0.382 -12.783) 18.809 7.163 ( 4.426 -5.767 10.024) 12.383 7.203 ( -22.144 -0.919 -10.757) 24.635 8.184 ( -1.347 20.540 4.862) 21.150 9.474 ( -1.326 -2.264 -2.231) 3.444 9.659 ( -5.448 4.063 1.856) 7.045 10.058 ( -13.346 3.177 6.747) 15.288 10.394 ( -4.366 1.519 4.060) 6.153 10.848 ( 1.830 0.095 4.184) 4.568 11.192 ( 1.234 -6.700 -0.282) 6.818 11.248 ( 9.206 9.194 4.092) 13.640 11.323 ( -0.675 -10.357 2.704) 10.726 11.801 ( -2.851 -8.505 -5.672) 10.613 12.004 ( -3.011 -1.680 -2.127) 4.051 12.170 ( 0.643 2.105 4.368) 4.891 12.846 ( 11.953 0.368 -7.756) 14.253 13.287 ( -0.373 8.898 -12.129) 15.048 13.434 ( 5.252 1.683 2.008) 5.869 13.973 ( -9.883 -3.774 -6.118) 12.221 14.446 ( 3.688 3.852 8.808) 10.296 14.682 ( -2.394 -5.725 -9.275) 11.160 15.256 ( -10.993 -2.422 -3.494) 11.787 15.452 ( -9.083 -2.217 -2.754) 9.747 15.692 ( -3.808 6.615 -6.580) 10.078 15.960 ( 4.924 -5.148 -1.315) 7.244 16.564 ( -1.545 1.277 7.169) 7.444 16.698 ( -3.561 -4.835 1.559) 6.204 17.202 ( 2.420 9.707 2.782) 10.384 17.490 ( 3.212 14.073 -0.963) 14.467 19.588 ( -3.408 -12.871 -5.976) 14.594 20.599 ( 2.018 -6.128 -0.350) 6.461 20.666 ( 8.325 4.966 7.135) 12.036 21.105 ( 3.572 1.338 3.389) 5.103 ======================= Grid point 37 (35/160) ======================= q-point: (-0.29 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 28.185 -19.715 -0.000) 34.395 3.002 ( 22.892 -27.093 -0.000) 35.469 4.303 ( 3.953 0.711 -0.000) 4.016 4.575 ( 19.408 -12.831 -0.000) 23.266 4.989 ( 26.208 -16.336 -0.000) 30.882 5.483 ( -5.343 -2.658 0.000) 5.968 5.594 ( -5.078 -2.580 0.000) 5.696 5.742 ( -5.367 -21.346 -0.000) 22.010 5.773 ( -10.207 -2.241 0.000) 10.450 6.364 ( 7.109 1.312 -0.000) 7.230 6.496 ( 5.954 -10.076 -0.000) 11.703 7.744 ( 43.989 5.601 -0.000) 44.344 7.858 ( 1.684 15.816 0.000) 15.906 9.393 ( 7.236 -4.628 -0.000) 8.590 10.181 ( 8.497 4.563 -0.000) 9.644 10.187 ( 0.269 0.013 -0.000) 0.269 10.496 ( 0.365 4.517 0.000) 4.532 10.573 ( -28.346 6.802 0.000) 29.150 11.023 ( -0.170 2.952 0.000) 2.957 11.236 ( 15.766 -10.127 -0.000) 18.738 11.570 ( -3.098 -3.700 -0.000) 4.826 11.899 ( -14.132 6.151 0.000) 15.412 12.013 ( -2.781 -31.392 -0.000) 31.515 12.108 ( 15.681 -4.192 -0.000) 16.231 12.667 ( 0.911 9.491 0.000) 9.534 12.915 ( 4.073 4.397 -0.000) 5.993 13.347 ( -12.054 2.874 0.000) 12.392 13.981 ( 6.638 -10.325 -0.000) 12.274 14.515 ( 6.023 3.795 -0.000) 7.119 15.081 ( 11.229 -14.129 -0.000) 18.047 15.183 ( -3.867 -4.692 -0.000) 6.080 15.391 ( -0.209 -2.568 -0.000) 2.576 15.584 ( -0.815 -7.061 -0.000) 7.108 15.755 ( 4.853 -3.783 -0.000) 6.154 16.715 ( -4.949 -2.474 0.000) 5.533 17.128 ( 4.302 16.022 0.000) 16.590 17.238 ( 8.608 16.908 0.000) 18.973 17.296 ( 4.844 12.690 0.000) 13.583 19.059 ( 6.173 -20.540 -0.000) 21.448 20.551 ( -16.109 -1.993 0.000) 16.232 20.657 ( -0.395 1.624 0.000) 1.672 21.140 ( -1.222 2.854 0.000) 3.104 ======================= Grid point 38 (36/160) ======================= q-point: ( 0.21 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -0.000 28.259 20.846) 35.116 1.960 ( -0.000 40.231 4.673) 40.502 3.620 ( -0.000 63.755 31.689) 71.196 4.131 ( 0.000 -3.777 -0.817) 3.864 4.797 ( 0.000 0.376 -11.891) 11.897 5.240 ( 0.000 -4.832 -3.868) 6.189 5.739 ( 0.000 -0.074 -9.170) 9.170 6.033 ( -0.000 1.475 3.936) 4.203 6.085 ( -0.000 0.851 1.753) 1.948 6.142 ( 0.000 21.703 -9.038) 23.510 6.248 ( -0.000 3.086 16.221) 16.511 6.509 ( -0.000 4.734 9.890) 10.965 8.140 ( -0.000 -7.100 14.949) 16.549 9.011 ( -0.000 12.911 -1.131) 12.960 9.993 ( 0.000 -5.753 0.655) 5.790 10.187 ( 0.000 6.750 -4.572) 8.153 10.293 ( -0.000 5.530 7.766) 9.534 10.584 ( -0.000 14.501 10.358) 17.821 10.722 ( -0.000 9.790 13.204) 16.437 11.138 ( 0.000 12.875 -5.371) 13.950 11.322 ( 0.000 -16.745 -9.193) 19.102 12.006 ( 0.000 -8.070 -8.149) 11.469 12.184 ( 0.000 -6.542 -5.903) 8.811 12.470 ( 0.000 -0.752 -4.892) 4.949 12.532 ( -0.000 -11.376 5.667) 12.710 13.368 ( -0.000 -0.758 1.556) 1.731 13.532 ( 0.000 8.874 -7.387) 11.546 13.562 ( -0.000 5.971 5.954) 8.432 14.391 ( 0.000 5.747 -15.336) 16.378 14.600 ( 0.000 9.569 -4.264) 10.476 15.050 ( -0.000 2.952 -0.236) 2.962 15.395 ( 0.000 -4.986 -5.189) 7.196 15.638 ( -0.000 7.213 3.790) 8.149 15.932 ( -0.000 -4.598 18.025) 18.602 16.128 ( 0.000 -0.418 -3.492) 3.517 16.663 ( -0.000 -3.916 3.439) 5.212 17.071 ( -0.000 -4.119 12.159) 12.838 17.475 ( -0.000 -5.052 5.119) 7.193 18.965 ( -0.000 18.787 0.810) 18.804 20.651 ( 0.000 -3.394 -1.312) 3.639 21.146 ( -0.000 -1.163 2.247) 2.530 21.492 ( 0.000 -4.388 -5.755) 7.237 ======================= Grid point 39 (37/160) ======================= q-point: (-0.29 -0.38 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( -7.909 -8.480 -20.193) 23.286 4.177 ( -3.104 -17.021 -10.188) 20.078 4.277 ( -0.538 3.422 -1.529) 3.787 4.745 ( 9.506 -8.710 -2.891) 13.213 4.766 ( -1.735 -3.223 -4.333) 5.672 5.315 ( 0.920 5.590 -2.331) 6.126 5.524 ( 7.772 -1.624 0.721) 7.973 5.761 ( -0.473 -9.650 1.583) 9.790 6.248 ( 3.182 -7.888 -12.452) 15.080 6.537 ( 1.971 -2.100 -5.853) 6.523 6.988 ( 8.967 2.217 1.623) 9.379 7.837 ( -41.338 -1.990 -7.674) 42.091 8.696 ( -4.033 19.798 4.739) 20.753 9.547 ( 1.398 6.926 3.823) 8.033 9.851 ( -7.665 4.724 -1.228) 9.087 10.217 ( 9.242 -0.356 9.621) 13.345 10.592 ( -11.058 2.010 5.165) 12.369 10.634 ( 6.036 -0.541 1.500) 6.243 10.825 ( 1.336 -15.938 3.715) 16.420 11.198 ( 4.742 5.119 7.692) 10.385 11.412 ( 5.186 -1.822 -9.695) 11.145 11.896 ( -5.202 4.837 -7.197) 10.112 11.906 ( -0.901 -13.707 0.555) 13.748 12.071 ( 1.672 0.898 1.999) 2.756 12.628 ( 5.482 4.602 -7.419) 10.309 13.289 ( 4.532 3.090 3.627) 6.576 13.589 ( -6.895 -6.737 -20.431) 22.591 13.807 ( 11.616 -8.148 2.075) 14.340 14.488 ( 0.448 5.273 -0.567) 5.322 14.756 ( -8.819 3.492 3.268) 10.032 15.412 ( -9.871 -2.416 -6.058) 11.831 15.526 ( -5.293 -6.712 -3.262) 9.149 15.676 ( 9.281 -7.298 -0.907) 11.842 15.745 ( -1.512 -6.228 -1.039) 6.493 16.661 ( -0.899 3.506 7.347) 8.190 16.715 ( -4.419 2.669 -2.749) 5.849 17.490 ( 0.864 18.903 0.520) 18.930 17.735 ( 2.468 13.221 0.925) 13.481 19.376 ( -5.579 -14.010 -9.563) 17.856 20.027 ( 11.934 -19.855 4.664) 23.630 20.896 ( 0.067 9.323 5.212) 10.682 21.148 ( 0.318 5.921 2.734) 6.529 ======================= Grid point 40 (38/160) ======================= q-point: ( 0.21 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 17.948 14.410 15.688) 27.855 3.857 ( 10.897 21.427 19.514) 30.962 4.287 ( 2.278 1.614 -1.592) 3.214 4.684 ( -1.549 2.142 -1.374) 2.979 4.828 ( -7.509 7.182 -5.686) 11.845 5.304 ( 3.092 -3.628 -1.016) 4.874 5.474 ( -4.718 6.859 5.791) 10.141 5.758 ( 0.302 3.800 1.177) 3.989 6.018 ( -8.852 7.038 8.820) 14.342 6.353 ( 5.448 7.488 11.508) 14.772 7.015 ( -3.590 0.928 0.660) 3.766 7.714 ( 45.382 -0.272 3.181) 45.494 8.671 ( 5.232 -18.370 7.879) 20.662 9.609 ( 5.395 -3.700 0.503) 6.561 9.942 ( -6.169 -7.627 -11.201) 14.889 10.383 ( 4.039 -0.690 -4.540) 6.115 10.623 ( -10.340 0.523 -1.128) 10.415 10.688 ( -5.169 -0.055 -2.021) 5.550 10.832 ( -0.013 16.484 2.040) 16.610 11.129 ( -1.031 -5.559 13.546) 14.678 11.381 ( 5.559 5.572 -5.838) 9.800 11.724 ( 7.072 -3.275 4.655) 9.078 11.995 ( -12.883 17.421 -4.188) 22.068 12.177 ( 0.528 -7.765 -7.927) 11.109 12.538 ( 0.550 -2.693 1.249) 3.019 13.116 ( 6.952 1.817 19.726) 20.994 13.410 ( -6.207 -1.845 -2.542) 6.957 13.872 ( -5.583 10.505 -3.479) 12.395 14.459 ( 1.526 -1.778 1.033) 2.561 14.849 ( 6.943 -5.056 -5.653) 10.283 15.255 ( 9.604 4.122 8.317) 13.357 15.462 ( 4.624 4.559 2.853) 7.093 15.666 ( -5.657 8.639 0.156) 10.328 15.756 ( 2.251 2.646 -0.907) 3.591 16.656 ( 2.071 0.781 0.713) 2.325 16.819 ( 2.447 -4.896 -5.994) 8.117 17.459 ( -0.944 -17.723 3.503) 18.090 17.716 ( -0.415 -14.768 2.980) 15.071 19.219 ( 7.365 18.088 6.019) 20.436 20.137 ( -14.039 19.226 -6.120) 24.580 20.960 ( -0.683 -12.949 -0.860) 12.995 21.185 ( -0.893 -4.685 -0.750) 4.828 ======================= Grid point 41 (39/160) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 -18.314 -29.032) 34.326 2.264 ( 0.000 -24.352 -24.920) 34.843 4.120 ( -0.000 8.975 0.113) 8.975 4.346 ( 0.000 -50.220 -36.824) 62.274 4.602 ( -0.000 8.819 6.257) 10.813 5.156 ( -0.000 6.103 3.797) 7.188 5.556 ( -0.000 1.340 6.714) 6.846 5.963 ( 0.000 -21.972 6.527) 22.921 6.073 ( 0.000 -3.703 -0.779) 3.784 6.117 ( 0.000 -0.147 -1.198) 1.207 6.639 ( 0.000 -6.519 -19.564) 20.622 6.768 ( 0.000 -7.889 -14.661) 16.649 8.436 ( 0.000 9.030 -12.082) 15.084 8.988 ( 0.000 -10.675 0.855) 10.709 9.977 ( -0.000 3.634 3.302) 4.910 10.128 ( -0.000 -0.373 0.423) 0.564 10.510 ( 0.000 2.132 -13.300) 13.470 10.823 ( 0.000 -16.637 -12.631) 20.889 10.932 ( -0.000 17.523 10.158) 20.254 10.998 ( -0.000 -12.238 7.857) 14.543 11.189 ( 0.000 -5.000 -12.057) 13.052 11.887 ( 0.000 -11.278 0.900) 11.314 12.040 ( -0.000 9.603 8.628) 12.910 12.318 ( -0.000 0.441 9.499) 9.510 12.703 ( 0.000 11.336 -10.730) 15.608 13.383 ( -0.000 -1.173 5.981) 6.095 13.414 ( 0.000 1.581 -2.976) 3.370 13.739 ( 0.000 -5.512 -11.519) 12.770 14.144 ( -0.000 -6.643 11.261) 13.074 14.551 ( 0.000 -8.624 -0.490) 8.638 15.112 ( 0.000 0.477 -5.273) 5.295 15.249 ( -0.000 6.662 8.916) 11.130 15.670 ( 0.000 -3.495 -0.295) 3.507 16.057 ( -0.000 -1.404 3.210) 3.503 16.193 ( 0.000 -2.919 -9.311) 9.758 16.717 ( 0.000 3.310 -1.176) 3.513 17.317 ( 0.000 11.522 -10.306) 15.458 17.607 ( 0.000 8.639 -7.430) 11.395 18.989 ( 0.000 -19.124 -1.614) 19.192 20.612 ( -0.000 -1.048 2.436) 2.651 21.192 ( 0.000 -0.063 -1.613) 1.614 21.347 ( -0.000 4.382 8.030) 9.148 ======================= Grid point 42 (40/160) ======================= q-point: ( 0.21 -0.38 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -28.533 20.738 2.687) 35.375 3.128 ( -21.049 26.341 -12.043) 35.804 4.311 ( -3.352 1.310 -0.614) 3.651 4.665 ( -10.399 4.565 -6.348) 13.011 5.054 ( -30.496 17.333 -6.063) 35.598 5.373 ( 8.002 8.450 16.299) 20.027 5.444 ( 7.861 5.375 2.838) 9.937 5.719 ( 4.207 5.473 -0.704) 6.939 5.896 ( 5.028 9.970 -5.388) 12.398 6.139 ( -4.802 0.425 11.058) 12.063 6.725 ( -3.965 6.851 -12.921) 15.153 7.728 ( -43.529 -5.096 1.259) 43.844 8.050 ( -3.182 -15.261 -16.298) 22.553 9.438 ( -7.664 3.954 -4.211) 9.597 10.236 ( -2.083 -0.836 -4.295) 4.846 10.286 ( -4.642 -2.599 -9.243) 10.665 10.485 ( 19.094 -6.166 5.928) 20.922 10.548 ( 4.101 -6.062 -3.525) 8.124 10.949 ( 4.063 -3.503 6.598) 8.503 11.182 ( -14.294 9.278 5.710) 17.972 11.544 ( 4.413 4.539 2.374) 6.761 11.789 ( 4.955 9.740 6.499) 12.714 12.065 ( 13.272 14.905 -0.261) 19.959 12.175 ( -21.443 6.159 -7.620) 23.575 12.678 ( 0.162 -9.973 -1.191) 10.045 12.821 ( -3.042 -4.384 8.453) 9.996 13.377 ( 11.510 -2.880 -2.672) 12.162 13.971 ( -5.020 10.254 1.103) 11.469 14.503 ( -5.476 -3.034 1.216) 6.378 15.049 ( -8.391 10.437 2.518) 13.627 15.142 ( -1.181 3.218 3.365) 4.803 15.396 ( -0.761 2.818 -0.573) 2.974 15.614 ( -0.921 9.879 -2.553) 10.245 15.754 ( -2.140 2.345 -0.015) 3.175 16.704 ( 1.159 1.020 1.178) 1.942 17.049 ( -0.409 -8.051 6.857) 10.584 17.241 ( -7.282 -20.351 -4.945) 22.173 17.451 ( -4.149 -14.302 -8.969) 17.385 19.076 ( -6.374 20.558 -1.672) 21.589 20.420 ( 13.112 9.178 7.817) 17.812 20.794 ( 3.536 -8.151 -8.048) 11.988 21.154 ( 1.171 -3.265 -1.242) 3.684 ======================= Grid point 43 (41/160) ======================= q-point: ( 0.33 0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 12.764 19.214 14.077) 27.023 3.803 ( 21.589 7.605 18.371) 29.350 4.093 ( 12.295 -8.057 -5.000) 15.527 4.372 ( 9.204 -14.217 -0.785) 16.955 5.120 ( -5.612 5.506 -3.916) 8.783 5.348 ( 3.258 2.752 0.342) 4.278 5.726 ( -1.933 2.728 3.160) 4.600 5.935 ( -6.467 8.479 3.453) 11.210 6.199 ( -2.889 7.568 -2.698) 8.538 6.638 ( -12.439 7.488 15.076) 20.930 6.931 ( 30.442 9.661 12.579) 34.326 7.330 ( -3.382 8.737 -4.817) 10.535 8.194 ( -0.332 -19.166 4.547) 19.701 9.488 ( 6.542 2.270 -1.022) 7.000 9.767 ( -0.262 -12.920 -10.320) 16.538 10.146 ( 9.620 -4.569 -1.852) 10.810 10.533 ( 12.630 -0.499 -9.155) 15.607 10.743 ( 8.024 -7.010 11.807) 15.904 11.097 ( -7.777 3.058 7.713) 11.372 11.237 ( -9.159 11.511 4.117) 15.276 11.492 ( -5.738 7.364 -9.277) 13.161 11.743 ( -0.177 4.875 -0.875) 4.956 12.022 ( -0.430 -4.832 -4.104) 6.355 12.307 ( 4.634 3.444 -7.806) 9.709 12.703 ( -8.514 0.287 6.436) 10.677 12.942 ( 3.316 -0.973 16.769) 17.121 13.525 ( -11.955 -1.989 -3.786) 12.697 13.916 ( 12.021 1.609 0.078) 12.128 14.492 ( -0.906 3.247 5.736) 6.653 14.669 ( 3.299 -2.982 -10.259) 11.182 15.150 ( 10.418 4.236 5.366) 12.461 15.387 ( 8.747 2.598 2.733) 9.525 15.651 ( 3.386 -5.626 -0.480) 6.584 15.940 ( -5.087 5.404 0.804) 7.465 16.662 ( 2.811 -0.774 -1.568) 3.311 16.713 ( 3.701 4.471 -1.025) 5.893 17.218 ( -2.185 -7.096 1.445) 7.564 17.437 ( -3.033 -13.259 4.032) 14.187 19.497 ( 3.696 16.693 3.258) 17.405 20.574 ( 2.493 -4.338 0.744) 5.058 20.821 ( -14.373 2.023 -6.259) 15.807 21.139 ( -3.279 -3.343 -0.226) 4.688 ======================= Grid point 44 (42/160) ======================= q-point: (-0.17 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -7.101 -9.864 -34.447) 36.528 2.226 ( -19.505 -17.459 -33.699) 42.672 3.571 ( -24.259 -31.714 -49.096) 63.282 4.276 ( 0.800 3.227 -4.692) 5.750 4.727 ( -1.798 0.605 -0.394) 1.938 5.296 ( 3.692 0.974 7.536) 8.448 5.594 ( 1.136 -5.341 -1.225) 5.596 5.683 ( -13.379 2.842 8.326) 16.012 5.952 ( 9.134 -1.501 -1.716) 9.414 6.048 ( 4.509 -3.661 -2.315) 6.252 6.372 ( -0.216 -5.758 -8.760) 10.486 6.904 ( -15.454 -1.496 -11.580) 19.369 8.554 ( 1.376 7.224 -13.881) 15.709 8.920 ( -12.350 -8.292 -3.160) 15.207 10.037 ( -4.003 -9.306 -0.598) 10.149 10.212 ( -12.332 3.537 2.059) 12.993 10.478 ( -1.372 -8.234 -11.597) 14.288 10.654 ( -4.088 7.424 -18.320) 20.185 10.908 ( 0.152 -1.907 2.862) 3.443 10.965 ( -4.035 -6.200 -12.840) 14.819 11.309 ( 10.201 8.798 15.176) 20.292 11.505 ( -1.394 -21.487 -7.560) 22.821 12.178 ( 6.984 8.787 15.373) 19.035 12.304 ( 2.434 -1.010 7.557) 8.003 12.904 ( -1.373 5.873 -8.633) 10.532 13.044 ( 18.634 4.992 -3.382) 19.586 13.652 ( -5.240 0.159 -4.378) 6.830 13.720 ( -2.928 -2.907 -3.530) 5.430 14.147 ( -8.484 -3.263 10.475) 13.869 14.500 ( -13.847 -5.532 -2.701) 15.153 15.075 ( 5.567 3.947 -4.697) 8.284 15.366 ( 0.716 1.843 5.183) 5.548 15.463 ( 1.725 -10.484 -4.255) 11.445 15.902 ( 6.829 0.214 1.444) 6.984 16.405 ( -11.858 1.740 2.857) 12.320 16.839 ( -6.126 2.329 1.458) 6.714 17.699 ( -2.533 20.331 -9.230) 22.471 17.800 ( -0.758 10.066 -11.666) 15.428 18.623 ( 0.260 -14.938 -0.205) 14.941 20.365 ( 6.807 -15.803 8.697) 19.280 21.184 ( 0.284 0.430 -0.554) 0.757 21.396 ( 6.730 6.619 0.493) 9.453 ======================= Grid point 45 (43/160) ======================= q-point: ( 0.33 -0.49 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( -15.633 15.709 1.116) 22.190 3.918 ( -16.188 12.807 -7.756) 22.050 4.385 ( -0.637 1.681 -3.477) 3.915 4.642 ( 0.491 -6.362 -3.767) 7.409 5.328 ( 5.140 1.881 10.582) 11.914 5.445 ( 4.114 -0.942 1.692) 4.547 5.621 ( 3.852 11.579 9.077) 15.209 6.014 ( 5.848 7.216 1.826) 9.466 6.116 ( -21.899 7.717 15.264) 27.787 6.400 ( -8.262 12.628 -2.165) 15.245 6.848 ( 4.980 9.391 -9.031) 13.949 7.714 ( -2.690 -21.865 -17.732) 28.279 8.612 ( -46.462 4.678 -0.398) 46.698 9.564 ( 2.254 -0.022 -2.822) 3.612 9.802 ( 27.917 -3.147 5.954) 28.718 10.165 ( 6.512 -7.272 -1.341) 9.853 10.344 ( -6.820 -5.086 -9.384) 12.666 10.419 ( 9.638 -5.625 2.604) 11.459 10.606 ( -8.232 -3.691 -5.317) 10.472 11.181 ( 18.312 -10.578 -8.266) 22.706 11.749 ( -0.590 17.871 5.607) 18.739 11.879 ( -11.044 5.372 3.064) 12.657 12.338 ( 7.840 8.901 7.789) 14.190 12.466 ( 0.269 -9.817 5.079) 11.057 12.544 ( -4.325 7.611 2.774) 9.183 13.041 ( -4.359 -1.595 2.473) 5.259 13.279 ( -12.975 11.131 -6.722) 18.370 14.208 ( 8.555 -5.602 4.443) 11.150 14.387 ( -6.116 3.576 -1.228) 7.190 14.939 ( 9.924 -6.877 2.037) 12.245 15.543 ( -9.422 13.415 4.822) 17.088 15.657 ( -10.871 7.707 0.481) 13.334 15.849 ( 1.638 4.783 2.893) 5.825 15.909 ( -3.560 7.544 -0.484) 8.356 16.703 ( 7.192 6.551 -1.135) 9.794 16.821 ( 4.186 -7.764 2.445) 9.153 16.962 ( -3.895 -15.644 -2.731) 16.351 17.196 ( -4.675 -16.568 -6.774) 18.499 19.633 ( -8.978 16.837 -1.653) 19.153 20.260 ( 12.750 -1.270 -1.247) 12.874 20.686 ( -2.724 0.292 -0.332) 2.759 21.002 ( 3.322 -6.839 -0.782) 7.643 ======================= Grid point 46 (44/160) ======================= q-point: (-0.17 0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 26.263 -36.245 -0.000) 44.760 1.942 ( 36.695 -20.010 -0.000) 41.797 3.101 ( 62.180 -25.188 -0.000) 67.088 4.239 ( 3.912 0.354 -0.000) 3.928 4.758 ( 1.967 -4.381 -0.000) 4.802 5.488 ( -4.408 -7.310 -0.000) 8.536 5.593 ( -1.596 -6.587 -0.000) 6.778 5.643 ( -11.806 1.828 0.000) 11.946 5.917 ( -8.125 -1.646 0.000) 8.290 6.201 ( 5.261 -5.854 -0.000) 7.870 6.235 ( 10.182 3.400 -0.000) 10.735 7.192 ( 32.999 11.727 -0.000) 35.021 8.078 ( 3.136 8.777 0.000) 9.321 9.065 ( 12.045 -7.700 -0.000) 14.295 10.089 ( 3.692 -6.618 -0.000) 7.578 10.116 ( 8.356 4.687 -0.000) 9.581 10.483 ( 5.552 0.391 -0.000) 5.566 10.595 ( 18.662 -12.736 -0.000) 22.594 10.829 ( 10.412 -11.467 -0.000) 15.489 11.158 ( 14.037 -3.253 -0.000) 14.409 11.204 ( -20.882 5.899 0.000) 21.700 11.620 ( -17.960 -28.660 -0.000) 33.823 12.159 ( -5.173 1.429 0.000) 5.367 12.357 ( -11.472 14.745 0.000) 18.683 12.811 ( 4.447 7.040 0.000) 8.326 12.921 ( 5.496 3.438 -0.000) 6.483 13.594 ( -3.082 0.456 0.000) 3.115 13.711 ( 2.096 -6.595 -0.000) 6.920 14.434 ( -3.609 0.875 0.000) 3.714 14.630 ( 10.066 -8.785 -0.000) 13.360 15.024 ( -1.682 -8.590 -0.000) 8.753 15.441 ( -3.966 1.104 0.000) 4.116 15.587 ( 6.328 -1.024 -0.000) 6.410 15.665 ( -6.702 0.814 0.000) 6.751 16.757 ( -2.059 -0.209 0.000) 2.070 17.263 ( 17.640 8.740 -0.000) 19.687 17.381 ( -1.068 7.593 0.000) 7.667 17.486 ( 16.129 29.898 0.000) 33.971 18.611 ( -0.157 -14.159 -0.000) 14.160 20.716 ( -17.270 -14.716 0.000) 22.689 20.725 ( -1.428 2.175 0.000) 2.601 21.170 ( 0.746 0.149 -0.000) 0.760 ======================= Grid point 47 (45/160) ======================= q-point: ( 0.33 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -24.071 26.798 10.359) 37.481 2.887 ( -8.614 36.233 -2.682) 37.339 4.080 ( -4.614 -4.595 -4.020) 7.652 4.717 ( 0.453 5.570 -7.045) 8.992 4.975 ( -5.529 38.192 5.798) 39.023 5.334 ( -17.360 -1.150 -5.843) 18.353 5.730 ( 1.572 4.298 -7.901) 9.131 5.919 ( 10.043 -0.453 9.979) 14.165 6.033 ( 5.551 3.550 7.556) 10.025 6.316 ( -4.902 1.400 -1.324) 5.267 6.660 ( 1.585 21.023 -3.339) 21.346 6.864 ( -14.006 11.991 12.955) 22.534 7.885 ( 6.739 -9.969 13.925) 18.404 9.322 ( -5.013 9.334 -1.530) 10.705 9.946 ( -11.520 -11.696 2.513) 16.607 10.194 ( 4.940 2.392 -3.739) 6.641 10.578 ( -3.900 4.683 2.932) 6.763 10.699 ( 0.626 9.710 2.175) 9.970 10.734 ( 5.858 -15.618 -13.014) 21.157 11.195 ( -7.246 8.131 8.866) 14.044 11.536 ( 0.877 -9.057 4.773) 10.275 11.721 ( -7.459 13.880 0.895) 15.783 12.132 ( 4.544 -2.640 -1.275) 5.408 12.270 ( -3.786 -13.304 2.746) 14.102 12.525 ( -3.881 3.279 -5.682) 7.622 13.182 ( 15.186 8.000 -2.571) 17.355 13.670 ( 3.646 3.227 2.714) 5.575 13.871 ( -7.292 6.614 -5.420) 11.238 14.377 ( 2.471 -5.194 -2.827) 6.409 14.866 ( -10.809 7.814 -5.384) 14.383 15.223 ( 0.389 8.191 -10.893) 13.635 15.329 ( -3.634 0.349 -5.966) 6.994 15.585 ( -0.674 -8.282 1.726) 8.486 15.935 ( 5.335 10.127 8.330) 14.157 16.311 ( -12.278 0.174 7.465) 14.371 16.617 ( -5.372 -6.804 3.187) 9.237 17.071 ( 2.166 4.994 4.588) 7.119 17.324 ( 2.696 -7.021 3.054) 8.117 19.386 ( -0.623 19.232 0.710) 19.255 20.550 ( -1.287 -5.540 -1.358) 5.848 21.056 ( 4.879 -5.065 3.672) 7.934 21.285 ( 8.606 -3.811 -2.307) 9.690 ======================= Grid point 48 (46/160) ======================= q-point: (-0.17 0.51 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 5.838 -11.512 -3.497) 13.373 3.632 ( 16.606 -12.280 -9.598) 22.775 4.258 ( 2.796 0.017 -5.772) 6.414 4.461 ( 0.545 -8.068 -10.218) 13.030 4.605 ( -1.379 -8.987 -8.462) 12.421 5.330 ( -1.112 -0.536 1.885) 2.253 5.378 ( 4.228 -9.713 3.178) 11.059 5.703 ( 0.356 5.599 3.048) 6.385 6.022 ( 5.489 -0.079 -13.412) 14.492 6.641 ( -0.634 0.202 -0.851) 1.080 6.753 ( 13.157 0.487 9.261) 16.097 8.551 ( -27.751 1.884 5.371) 28.329 9.128 ( -6.784 8.538 3.745) 11.530 9.486 ( 15.360 3.456 0.804) 15.765 9.979 ( 13.345 4.560 12.636) 18.935 10.213 ( -12.452 5.160 -8.682) 16.033 10.458 ( -2.604 -5.073 -0.648) 5.739 10.637 ( 1.655 1.655 -5.876) 6.325 10.862 ( -10.215 -5.189 -3.756) 12.057 11.122 ( 4.424 -13.928 1.165) 14.660 11.203 ( 9.476 -0.820 -1.658) 9.655 11.398 ( 4.084 -1.897 2.896) 5.354 12.029 ( 7.980 4.196 10.975) 14.203 12.460 ( -20.036 7.707 -2.530) 21.616 12.746 ( -1.287 7.763 -12.319) 14.618 13.159 ( 17.798 -13.791 5.560) 23.192 13.285 ( 1.710 1.820 4.988) 5.578 13.525 ( 2.238 -9.276 -17.705) 20.112 14.624 ( -2.187 3.950 -3.522) 5.726 15.030 ( -7.135 4.287 2.864) 8.803 15.321 ( 6.206 -6.585 0.236) 9.052 15.385 ( 4.411 -5.996 -1.782) 7.654 15.507 ( 1.807 -2.596 -0.999) 3.317 15.616 ( -4.660 -5.467 2.205) 7.514 16.730 ( 0.492 2.526 3.723) 4.526 16.904 ( -5.925 3.285 -3.598) 7.671 17.893 ( 3.157 17.201 2.027) 17.606 17.941 ( -1.329 11.508 1.152) 11.642 19.131 ( 9.153 -13.357 3.273) 16.519 19.492 ( -4.897 -15.754 -12.667) 20.799 21.065 ( -2.048 5.373 9.279) 10.916 21.263 ( 0.776 4.265 1.031) 4.456 ======================= Grid point 49 (47/160) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 34.985 0.000 -0.000) 34.985 0.866 ( 45.160 0.000 -0.000) 45.160 1.460 ( 75.419 0.000 -0.000) 75.419 4.179 ( 2.306 0.000 -0.000) 2.306 4.648 ( 1.601 0.000 -0.000) 1.601 5.477 ( -1.169 -0.000 0.000) 1.169 5.511 ( 1.742 0.000 -0.000) 1.742 5.906 ( -9.543 -0.000 0.000) 9.543 5.993 ( -1.329 -0.000 0.000) 1.329 6.089 ( -0.338 -0.000 0.000) 0.338 6.131 ( 5.415 0.000 -0.000) 5.415 6.955 ( 13.859 0.000 -0.000) 13.859 8.096 ( 3.486 0.000 -0.000) 3.486 8.746 ( 9.002 0.000 -0.000) 9.002 9.891 ( 4.282 0.000 -0.000) 4.282 10.052 ( 5.579 0.000 -0.000) 5.579 10.120 ( 11.750 0.000 -0.000) 11.750 10.341 ( 13.048 0.000 -0.000) 13.048 10.424 ( 2.196 0.000 -0.000) 2.196 11.029 ( 1.780 0.000 -0.000) 1.780 11.464 ( -6.897 -0.000 0.000) 6.897 11.590 ( -11.773 -0.000 0.000) 11.773 12.247 ( -3.528 -0.000 0.000) 3.528 12.725 ( -7.167 -0.000 0.000) 7.167 12.794 ( 4.234 0.000 -0.000) 4.234 12.850 ( 4.297 0.000 -0.000) 4.297 13.463 ( 10.131 0.000 -0.000) 10.131 13.634 ( -0.301 -0.000 0.000) 0.301 14.364 ( 6.559 0.000 -0.000) 6.559 14.715 ( -16.498 -0.000 0.000) 16.498 14.972 ( -1.951 -0.000 0.000) 1.951 15.497 ( 3.137 0.000 -0.000) 3.137 15.521 ( -2.482 -0.000 0.000) 2.482 15.775 ( -3.565 -0.000 0.000) 3.565 16.764 ( 2.148 0.000 -0.000) 2.148 17.017 ( 12.840 0.000 -0.000) 12.840 17.462 ( -1.723 -0.000 0.000) 1.723 18.016 ( -1.061 -0.000 0.000) 1.061 18.489 ( -1.523 -0.000 0.000) 1.523 20.518 ( -1.993 -0.000 0.000) 1.993 20.774 ( -0.833 -0.000 0.000) 0.833 21.149 ( 0.928 0.000 -0.000) 0.928 ======================= Grid point 50 (48/160) ======================= q-point: ( 0.44 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( -21.448 18.843 6.556) 29.293 3.735 ( -7.971 26.908 -5.821) 28.662 4.117 ( -7.957 -3.194 -7.429) 11.344 4.726 ( -0.628 0.835 -7.938) 8.006 5.345 ( -0.760 -3.548 -7.295) 8.147 5.580 ( 1.908 -3.208 -7.844) 8.687 5.693 ( 7.475 -0.404 4.981) 8.991 5.906 ( -10.926 4.632 1.307) 11.939 6.302 ( 3.295 0.410 -1.206) 3.532 6.610 ( -12.932 28.883 5.928) 32.196 6.970 ( -1.586 9.286 2.505) 9.748 7.269 ( -7.577 -7.460 3.780) 11.285 7.685 ( 1.412 14.533 10.271) 17.852 9.555 ( -4.371 4.774 0.918) 6.538 9.905 ( -6.699 -14.859 -7.492) 17.939 10.026 ( -2.052 -8.350 -5.386) 10.146 10.346 ( 6.283 -0.243 -0.609) 6.318 10.620 ( 5.078 1.682 14.227) 15.199 10.896 ( 12.707 1.933 7.901) 15.088 11.299 ( -10.804 4.012 -7.143) 13.559 11.513 ( -4.662 -6.538 1.558) 8.180 11.917 ( -4.770 -5.951 11.258) 13.598 12.130 ( -0.310 -1.374 -6.420) 6.573 12.186 ( -7.242 -0.704 -5.037) 8.850 12.830 ( -3.648 13.212 -4.592) 14.455 13.183 ( 6.951 13.601 -4.421) 15.901 13.380 ( 13.879 -5.816 3.996) 15.570 14.144 ( -7.898 5.405 -7.227) 11.993 14.322 ( -0.468 -3.098 3.207) 4.484 15.015 ( 1.083 -8.348 -8.629) 12.054 15.340 ( -7.388 -0.478 -2.717) 7.887 15.459 ( -10.710 3.935 2.366) 11.652 15.708 ( -5.919 9.992 -12.945) 17.391 16.027 ( 2.168 3.346 -0.567) 4.027 16.473 ( -4.080 -4.290 7.152) 9.284 16.609 ( -7.782 -1.358 8.551) 11.641 17.085 ( 5.979 -4.957 2.186) 8.068 17.199 ( 4.579 12.046 1.482) 12.972 19.722 ( -1.789 8.503 -0.535) 8.705 20.526 ( -0.927 0.401 -3.722) 3.856 20.728 ( 10.138 -8.101 6.061) 14.323 21.077 ( 5.659 -3.786 0.982) 6.879 ======================= Grid point 51 (49/160) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 19.991 -0.000 12.151) 23.394 3.120 ( 26.735 0.000 0.869) 26.749 4.203 ( 2.370 0.000 -5.351) 5.853 4.498 ( -12.670 0.000 -15.491) 20.013 4.576 ( -5.905 0.000 -9.586) 11.259 5.256 ( -4.567 -0.000 3.245) 5.602 5.337 ( 3.435 -0.000 2.285) 4.126 5.723 ( 3.400 -0.000 5.569) 6.525 5.924 ( 11.351 0.000 -4.369) 12.163 6.173 ( 21.693 -0.000 13.518) 25.560 6.891 ( -6.411 -0.000 7.313) 9.725 8.691 ( 31.905 0.000 -4.202) 32.181 8.877 ( 9.074 -0.000 18.541) 20.642 9.780 ( 15.025 -0.000 12.240) 19.380 9.846 ( -33.285 -0.000 -8.760) 34.418 10.281 ( 2.888 0.000 1.169) 3.115 10.591 ( -0.316 0.000 -5.017) 5.027 10.651 ( -2.832 0.000 -4.665) 5.457 10.666 ( 1.756 0.000 -4.881) 5.187 10.975 ( 5.433 -0.000 2.673) 6.055 11.228 ( -13.086 0.000 -6.047) 14.416 11.490 ( -8.155 -0.000 -2.756) 8.608 11.887 ( 9.308 -0.000 17.839) 20.122 12.543 ( 26.258 0.000 4.360) 26.618 12.855 ( -8.600 -0.000 3.789) 9.398 12.903 ( -0.038 0.000 -16.228) 16.228 13.342 ( -5.468 -0.000 4.808) 7.281 13.418 ( -8.791 0.000 -10.322) 13.558 14.633 ( 6.440 0.000 -3.596) 7.376 15.069 ( 4.893 0.000 1.432) 5.098 15.157 ( 7.623 -0.000 4.193) 8.700 15.286 ( -3.264 -0.000 1.126) 3.453 15.399 ( 1.661 -0.000 3.200) 3.605 15.669 ( -3.696 0.000 -1.670) 4.055 16.741 ( 1.228 -0.000 1.424) 1.880 17.028 ( -3.098 0.000 -5.303) 6.142 18.002 ( 0.234 -0.000 3.615) 3.622 18.249 ( -3.609 0.000 -3.002) 4.694 18.592 ( 18.230 -0.000 13.480) 22.673 19.525 ( -11.888 0.000 -17.972) 21.548 21.180 ( -2.896 -0.000 9.034) 9.487 21.281 ( 1.320 -0.000 1.080) 1.705 ======================= Grid point 52 (50/160) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 7.450 0.000 0.000) 7.450 3.562 ( 14.394 0.000 0.000) 14.394 3.638 ( 9.761 -0.000 -0.000) 9.761 4.008 ( 7.406 -0.000 -0.000) 7.406 5.086 ( 13.471 -0.000 -0.000) 13.471 5.291 ( -3.055 -0.000 -0.000) 3.055 5.795 ( -0.906 -0.000 -0.000) 0.906 6.096 ( -1.286 -0.000 -0.000) 1.286 6.539 ( -12.684 0.000 -0.000) 12.684 6.638 ( 5.640 -0.000 -0.000) 5.640 7.025 ( -5.214 -0.000 0.000) 5.214 7.372 ( 6.491 -0.000 -0.000) 6.491 8.121 ( -11.352 -0.000 -0.000) 11.352 9.356 ( 14.386 0.000 0.000) 14.386 9.588 ( -5.712 -0.000 -0.000) 5.712 9.975 ( 2.894 -0.000 0.000) 2.894 10.107 ( 21.361 -0.000 -0.000) 21.361 10.622 ( 0.487 -0.000 -0.000) 0.487 11.239 ( -1.617 -0.000 -0.000) 1.617 11.610 ( -14.246 0.000 0.000) 14.246 11.657 ( -1.663 -0.000 -0.000) 1.663 11.805 ( 2.081 0.000 -0.000) 2.081 12.025 ( -4.638 -0.000 -0.000) 4.638 12.335 ( -0.263 0.000 -0.000) 0.263 12.397 ( 15.506 -0.000 0.000) 15.506 13.134 ( -11.055 -0.000 -0.000) 11.055 13.652 ( 14.450 -0.000 -0.000) 14.450 13.829 ( -18.531 -0.000 -0.000) 18.531 14.429 ( 12.783 -0.000 -0.000) 12.783 14.662 ( -6.631 0.000 0.000) 6.631 14.991 ( 10.654 -0.000 -0.000) 10.654 15.291 ( 5.511 -0.000 -0.000) 5.511 15.525 ( -0.060 0.000 -0.000) 0.060 16.064 ( -2.410 -0.000 -0.000) 2.410 16.620 ( 0.091 -0.000 -0.000) 0.091 16.670 ( 6.708 -0.000 -0.000) 6.708 17.232 ( -1.522 0.000 -0.000) 1.522 17.328 ( -3.838 -0.000 0.000) 3.838 19.668 ( 1.337 -0.000 -0.000) 1.337 20.383 ( 2.284 -0.000 -0.000) 2.284 21.140 ( -8.956 0.000 -0.000) 8.956 21.153 ( -2.637 -0.000 0.000) 2.637 ======================= Grid point 54 (51/160) ======================= q-point: (-0.06 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -21.654 0.000 -27.705) 35.164 2.180 ( -16.867 0.000 -31.700) 35.908 4.050 ( -47.221 0.000 -40.272) 62.061 4.233 ( 3.516 0.000 -3.039) 4.647 4.721 ( 0.590 -0.000 1.686) 1.787 5.081 ( 15.036 -0.000 10.178) 18.157 5.591 ( -2.190 0.000 -6.839) 7.181 5.703 ( 15.007 0.000 -1.134) 15.049 5.844 ( 5.868 -0.000 3.378) 6.770 5.998 ( -4.034 -0.000 1.760) 4.401 6.536 ( -23.811 -0.000 -7.048) 24.833 7.284 ( -23.842 -0.000 -2.583) 23.982 8.690 ( -3.854 0.000 -15.682) 16.149 9.106 ( -17.919 -0.000 -6.300) 18.995 10.023 ( -6.988 -0.000 -0.929) 7.049 10.446 ( -2.743 0.000 -7.073) 7.587 10.470 ( -8.044 -0.000 -1.485) 8.180 10.812 ( 2.524 -0.000 10.916) 11.203 10.835 ( -2.908 0.000 -15.730) 15.997 11.070 ( 17.321 -0.000 9.484) 19.747 11.191 ( -13.892 -0.000 -4.651) 14.650 11.252 ( -5.938 0.000 -23.952) 24.677 12.130 ( 7.904 -0.000 15.325) 17.243 12.164 ( 10.363 -0.000 4.873) 11.451 12.911 ( 4.600 -0.000 3.208) 5.609 12.975 ( 0.292 0.000 -3.654) 3.666 13.677 ( 5.379 0.000 -0.964) 5.465 13.680 ( 1.079 0.000 -2.144) 2.400 14.224 ( -8.352 -0.000 3.734) 9.148 14.746 ( -13.561 0.000 -5.851) 14.769 15.059 ( 5.123 0.000 -4.133) 6.582 15.277 ( -4.137 -0.000 -0.672) 4.191 15.403 ( 1.461 -0.000 1.095) 1.826 15.803 ( 4.327 -0.000 1.990) 4.762 16.605 ( -7.115 -0.000 4.337) 8.333 16.989 ( -5.452 -0.000 5.873) 8.014 18.015 ( 0.617 0.000 -1.225) 1.372 18.030 ( -9.796 0.000 -18.128) 20.605 18.390 ( 3.229 -0.000 3.419) 4.703 19.963 ( 10.307 -0.000 9.391) 13.943 21.201 ( -0.896 0.000 -0.878) 1.254 21.355 ( 5.312 0.000 -5.556) 7.686 ======================= Grid point 55 (52/160) ======================= q-point: (-0.56 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( 6.479 -4.208 -0.485) 7.740 4.087 ( 4.328 -8.216 -4.479) 10.310 4.390 ( 7.645 1.297 -2.138) 8.044 4.561 ( -9.375 -0.640 -7.377) 11.946 5.340 ( 1.045 0.673 6.739) 6.852 5.372 ( -2.419 5.018 3.337) 6.494 5.787 ( 8.025 -0.481 10.115) 12.921 5.961 ( -9.281 4.200 10.590) 14.695 6.376 ( 9.452 -11.647 7.068) 16.582 6.560 ( -9.165 -1.570 11.845) 15.059 7.189 ( 3.536 5.936 -16.692) 18.065 7.253 ( -3.649 -6.202 -16.938) 18.403 8.780 ( 45.155 -10.339 -0.269) 46.324 9.499 ( -23.409 6.449 -0.468) 24.286 9.804 ( 2.116 -1.936 8.195) 8.683 9.953 ( -14.372 8.522 1.563) 16.782 10.306 ( -0.034 -0.351 -7.003) 7.012 10.373 ( -6.061 -2.732 -5.579) 8.679 10.638 ( 15.652 -5.205 -10.591) 19.603 10.964 ( -18.018 9.027 -10.475) 22.712 11.956 ( 9.976 0.703 4.708) 11.054 12.059 ( -0.861 -8.409 -0.608) 8.475 12.240 ( 4.348 7.701 10.027) 13.369 12.317 ( -2.866 1.014 11.993) 12.373 12.837 ( 1.496 -2.268 1.121) 2.939 12.895 ( -4.501 1.877 1.404) 5.075 13.610 ( 17.644 -18.043 -2.842) 25.395 13.958 ( -17.401 13.627 -1.842) 22.178 14.550 ( 11.948 -6.711 1.950) 13.842 14.768 ( -10.487 8.194 2.222) 13.493 15.725 ( 10.023 -1.700 2.886) 10.568 15.838 ( 1.554 -8.379 5.390) 10.084 15.901 ( 1.866 -0.389 3.098) 3.637 15.962 ( -1.030 3.109 3.725) 4.960 16.653 ( 6.189 6.415 0.244) 8.917 16.791 ( -7.991 0.213 -1.968) 8.232 16.861 ( 5.495 7.067 -7.715) 11.817 16.972 ( -6.290 -11.614 -3.927) 13.779 19.918 ( 9.123 -8.025 -1.886) 12.296 20.130 ( -12.890 8.052 -2.897) 15.472 20.761 ( 5.322 -3.702 0.555) 6.507 20.865 ( -5.570 3.973 -0.083) 6.843 ======================= Grid point 56 (53/160) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 0.000 -13.792 -21.439) 25.492 3.190 ( 0.000 -15.604 -23.442) 28.160 3.791 ( -0.000 15.800 6.171) 16.962 4.195 ( -0.000 17.826 2.655) 18.023 4.990 ( -0.000 4.365 0.235) 4.372 5.302 ( 0.000 -3.509 -1.624) 3.867 5.718 ( 0.000 -9.117 -4.674) 10.245 6.123 ( 0.000 1.335 -1.201) 1.796 6.316 ( 0.000 -20.647 6.845) 21.753 6.399 ( 0.000 -18.005 -14.035) 22.829 7.156 ( 0.000 -1.641 -17.628) 17.704 7.209 ( 0.000 -6.866 -7.082) 9.864 8.331 ( -0.000 8.804 1.435) 8.920 9.138 ( 0.000 -4.841 0.243) 4.847 9.805 ( -0.000 -0.102 7.822) 7.823 9.999 ( -0.000 23.776 16.702) 29.056 10.058 ( 0.000 7.009 -4.622) 8.396 10.661 ( 0.000 4.179 -8.104) 9.118 11.141 ( 0.000 -9.696 0.069) 9.697 11.482 ( 0.000 -22.776 -4.231) 23.165 11.650 ( 0.000 -4.138 -2.747) 4.967 11.770 ( -0.000 0.083 4.979) 4.980 12.071 ( -0.000 0.297 13.027) 13.031 12.122 ( 0.000 -0.554 -7.929) 7.948 12.653 ( 0.000 16.839 -12.799) 21.151 13.327 ( 0.000 -1.303 -1.684) 2.129 13.430 ( 0.000 1.963 -2.070) 2.853 14.080 ( -0.000 -8.709 9.072) 12.576 14.095 ( 0.000 -3.147 -10.476) 10.938 14.741 ( 0.000 -3.224 -4.209) 5.302 14.906 ( -0.000 5.952 7.438) 9.526 15.227 ( 0.000 -0.347 -5.753) 5.763 15.604 ( -0.000 5.166 1.540) 5.391 16.063 ( -0.000 -2.271 0.792) 2.405 16.509 ( 0.000 -7.257 -5.320) 8.998 16.641 ( -0.000 1.894 2.584) 3.204 17.265 ( -0.000 4.554 -1.413) 4.768 17.512 ( 0.000 10.471 -3.685) 11.101 19.435 ( 0.000 -16.958 -2.888) 17.202 20.514 ( -0.000 9.412 -1.234) 9.493 21.138 ( -0.000 -2.879 9.278) 9.715 21.222 ( 0.000 -0.419 -0.606) 0.737 ======================= Grid point 57 (54/160) ======================= q-point: ( 0.06 -0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -28.968 10.641 -10.244) 32.516 2.904 ( -17.024 24.403 -21.242) 36.559 4.228 ( 0.173 3.391 1.066) 3.559 4.718 ( -0.197 2.437 1.756) 3.010 4.842 ( 10.742 6.284 14.786) 19.327 5.022 ( -29.102 9.384 -18.771) 35.880 5.396 ( 7.020 -2.726 -2.176) 7.838 5.650 ( -0.432 2.478 -3.017) 3.928 5.840 ( 3.821 5.566 -1.936) 7.023 6.025 ( -2.492 0.607 -0.631) 2.641 6.890 ( -6.328 0.937 -11.284) 12.971 7.820 ( -41.857 -6.592 4.019) 42.563 8.677 ( -5.772 -9.384 -17.650) 20.806 9.495 ( -14.684 2.610 -8.471) 17.152 10.252 ( -5.184 5.704 -0.576) 7.729 10.337 ( 14.403 -1.884 4.994) 15.360 10.646 ( -2.481 2.219 -1.897) 3.831 10.662 ( 9.478 -3.901 -1.970) 10.437 10.734 ( 3.017 2.716 9.638) 10.458 11.097 ( -2.455 8.752 -3.437) 9.718 11.194 ( -6.753 -1.203 -0.547) 6.881 11.587 ( 5.174 4.240 -6.181) 9.108 11.969 ( 12.104 0.747 5.146) 13.174 12.159 ( -20.653 6.273 -4.718) 22.094 12.766 ( 0.605 -8.820 10.818) 13.971 12.909 ( 2.421 -4.509 -3.880) 6.423 13.477 ( 10.429 -1.769 -1.478) 10.681 13.719 ( 4.679 9.211 1.996) 10.523 14.463 ( -10.292 1.448 2.331) 10.652 14.972 ( -5.775 0.353 -5.019) 7.659 15.041 ( -6.983 2.488 -1.073) 7.490 15.368 ( 1.244 1.251 -0.649) 1.880 15.447 ( -1.296 7.816 -1.162) 8.008 15.737 ( 2.647 0.673 0.685) 2.816 16.686 ( -2.978 -1.297 1.746) 3.688 17.020 ( -0.902 -2.865 6.305) 6.984 17.778 ( -1.991 -19.039 -4.211) 19.600 17.932 ( -3.531 -15.155 -6.875) 17.013 18.703 ( -6.867 19.691 -4.593) 21.353 19.934 ( 13.487 14.721 11.588) 23.084 21.141 ( 1.902 -7.276 -5.446) 9.285 21.248 ( 0.492 -2.498 -2.415) 3.509 ======================= Grid point 58 (55/160) ======================= q-point: (-0.44 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( 18.968 -23.990 1.830) 30.637 3.578 ( 20.685 -16.693 -9.880) 28.357 4.315 ( 5.834 1.516 -1.304) 6.167 4.675 ( -2.145 0.132 -1.221) 2.471 5.381 ( 3.694 -2.512 8.777) 9.849 5.520 ( -5.568 -0.807 2.497) 6.156 5.680 ( 5.062 -21.727 -0.632) 22.318 5.727 ( 5.441 -2.387 6.752) 8.994 6.168 ( -2.844 -2.275 8.020) 8.808 6.265 ( 2.413 -20.408 -1.371) 20.595 6.901 ( 1.494 -9.609 -11.225) 14.851 7.673 ( 4.083 15.403 -13.714) 21.024 7.738 ( 37.876 -2.015 -2.078) 37.986 9.522 ( 3.895 -4.244 -2.724) 6.372 10.148 ( -0.669 6.569 2.075) 6.921 10.265 ( -9.188 9.591 1.966) 13.427 10.330 ( -4.144 -0.823 -7.305) 8.439 10.440 ( 3.213 2.798 -6.025) 7.379 10.752 ( -17.418 11.321 1.230) 20.810 11.353 ( 4.856 -3.247 1.886) 6.139 11.705 ( 5.618 -0.790 2.672) 6.271 11.775 ( -6.289 -8.010 3.301) 10.705 12.292 ( 14.913 -3.942 -2.310) 15.597 12.409 ( 1.632 8.325 2.513) 8.848 12.618 ( -10.849 -18.103 3.572) 21.405 12.825 ( 11.771 -6.742 4.710) 14.359 13.292 ( -8.743 4.856 -3.859) 10.720 14.169 ( 8.287 -8.323 1.712) 11.869 14.399 ( -2.204 6.557 -0.278) 6.923 15.093 ( -5.777 4.615 6.956) 10.152 15.357 ( 10.206 -14.733 4.519) 18.484 15.469 ( 6.785 -4.077 -0.861) 7.962 15.789 ( 8.181 -3.874 0.999) 9.107 15.862 ( 0.105 -8.685 -0.433) 8.697 16.734 ( 7.112 2.279 0.134) 7.470 16.843 ( 0.540 9.096 3.660) 9.820 16.940 ( -1.943 4.146 -7.625) 8.894 17.169 ( -2.464 12.490 -6.224) 14.171 19.489 ( 5.773 -17.917 -1.725) 18.903 20.545 ( -16.485 1.117 -1.505) 16.592 20.633 ( 2.620 3.072 -0.201) 4.043 21.069 ( -3.611 4.716 -0.160) 5.942 ======================= Grid point 59 (56/160) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -0.000 34.202 0.000) 34.202 0.995 ( -0.000 46.692 0.000) 46.692 1.667 ( -0.000 77.634 0.000) 77.634 4.158 ( 0.000 -0.104 -0.000) 0.104 4.843 ( -0.000 5.286 0.000) 5.286 5.352 ( 0.000 -2.378 -0.000) 2.378 5.631 ( -0.000 12.326 0.000) 12.326 5.966 ( 0.000 -2.767 -0.000) 2.767 6.023 ( -0.000 1.913 0.000) 1.913 6.074 ( 0.000 -1.990 -0.000) 1.990 6.100 ( -0.000 1.988 0.000) 1.988 6.371 ( -0.000 1.156 0.000) 1.156 8.045 ( 0.000 -1.964 -0.000) 1.964 8.764 ( -0.000 9.686 0.000) 9.686 9.986 ( -0.000 8.840 0.000) 8.840 10.055 ( -0.000 5.254 0.000) 5.254 10.070 ( -0.000 6.267 0.000) 6.267 10.213 ( -0.000 3.399 0.000) 3.399 10.447 ( -0.000 4.260 0.000) 4.260 11.077 ( -0.000 1.082 0.000) 1.082 11.629 ( 0.000 -7.033 -0.000) 7.033 12.279 ( 0.000 -0.829 -0.000) 0.829 12.532 ( 0.000 -0.094 -0.000) 0.094 12.595 ( 0.000 -17.830 -0.000) 17.830 12.672 ( 0.000 -7.116 -0.000) 7.116 13.370 ( 0.000 -0.853 -0.000) 0.853 13.394 ( -0.000 3.972 0.000) 3.972 13.416 ( -0.000 6.808 0.000) 6.808 14.391 ( -0.000 7.751 0.000) 7.751 14.850 ( 0.000 -4.266 -0.000) 4.266 15.068 ( -0.000 6.378 0.000) 6.378 15.073 ( -0.000 7.445 0.000) 7.445 15.519 ( 0.000 -2.391 -0.000) 2.391 15.793 ( 0.000 -1.799 -0.000) 1.799 16.192 ( 0.000 -0.745 -0.000) 0.745 16.686 ( 0.000 -2.126 -0.000) 2.126 16.910 ( 0.000 -0.054 -0.000) 0.054 17.468 ( 0.000 -1.197 -0.000) 1.197 18.629 ( -0.000 11.462 0.000) 11.462 20.750 ( 0.000 -2.926 -0.000) 2.926 21.138 ( 0.000 -0.280 -0.000) 0.280 21.646 ( 0.000 -2.835 -0.000) 2.835 ======================= Grid point 60 (57/160) ======================= q-point: ( 0.56 -0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( -0.688 -0.697 -10.226) 10.273 4.125 ( -9.169 7.599 -1.159) 11.965 4.363 ( -3.551 6.881 -0.399) 7.753 4.732 ( 4.779 0.401 7.257) 8.699 5.191 ( -2.481 -7.752 -13.091) 15.415 5.340 ( 6.742 -2.030 -3.591) 7.904 5.591 ( 0.952 -6.761 -2.866) 7.405 5.954 ( 3.806 -9.746 0.213) 10.465 6.426 ( -13.566 5.773 -2.861) 15.019 6.720 ( 9.407 -13.276 1.749) 16.365 6.997 ( 13.443 3.463 -6.252) 15.225 7.656 ( -12.894 19.461 13.042) 26.741 8.298 ( -25.203 14.063 -2.499) 28.969 9.576 ( 4.496 -6.283 -9.746) 12.437 9.769 ( -6.001 5.487 -2.260) 8.440 10.113 ( 8.022 -3.822 5.108) 10.249 10.321 ( -12.614 3.968 8.949) 15.967 10.473 ( 4.996 2.200 11.005) 12.285 10.782 ( 12.306 11.197 7.798) 18.375 11.070 ( 10.579 -12.736 6.403) 17.751 11.684 ( -6.841 -4.843 -8.476) 11.921 11.973 ( -8.997 -1.170 -1.511) 9.198 12.112 ( -0.166 -4.066 -3.294) 5.235 12.235 ( -6.914 -5.203 -5.964) 10.509 12.762 ( 9.981 -3.754 -8.096) 13.389 13.113 ( 5.671 5.938 4.045) 9.153 13.753 ( -11.045 18.461 -5.544) 22.216 14.013 ( 13.449 -11.282 2.498) 17.732 14.416 ( -7.566 1.600 -5.540) 9.513 14.749 ( 3.515 -6.499 1.321) 7.505 15.524 ( -12.127 -0.379 -2.891) 12.473 15.726 ( -9.840 -4.271 -3.181) 11.189 15.884 ( 5.768 -8.528 -3.121) 10.758 15.935 ( -0.017 0.456 -7.301) 7.316 16.469 ( -3.917 -1.058 5.424) 6.773 16.690 ( -2.297 0.783 2.896) 3.779 17.063 ( 2.748 13.986 5.064) 15.126 17.411 ( 4.710 15.184 1.047) 15.932 19.794 ( -3.429 -6.457 -7.025) 10.139 20.213 ( 11.704 -10.089 8.862) 17.813 20.731 ( -1.262 3.062 -4.000) 5.193 20.951 ( 1.850 2.935 5.411) 6.428 ======================= Grid point 62 (58/160) ======================= q-point: ( 0.18 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -35.021 26.610 0.000) 43.984 2.108 ( -14.643 40.029 0.000) 42.623 3.405 ( -17.158 66.614 0.000) 68.788 4.168 ( -2.571 -1.207 0.000) 2.840 4.899 ( 5.142 5.321 -0.000) 7.399 5.461 ( -16.063 -1.868 0.000) 16.171 5.772 ( 8.510 -3.291 -0.000) 9.125 5.824 ( 4.944 5.656 -0.000) 7.512 5.991 ( 2.750 -2.086 -0.000) 3.451 6.229 ( -8.771 6.675 0.000) 11.022 6.244 ( 3.153 19.432 0.000) 19.686 6.585 ( -16.328 -1.167 0.000) 16.370 7.916 ( 3.735 -7.866 -0.000) 8.708 9.093 ( -6.605 12.148 0.000) 13.828 10.080 ( 4.192 5.646 0.000) 7.033 10.139 ( -13.342 -6.506 0.000) 14.844 10.339 ( 6.228 7.343 0.000) 9.629 10.520 ( -17.575 12.934 0.000) 21.822 10.760 ( -12.370 8.777 0.000) 15.168 11.223 ( -3.612 15.709 0.000) 16.119 11.316 ( 10.131 -11.979 -0.000) 15.689 12.050 ( 4.938 -26.064 -0.000) 26.528 12.217 ( 4.155 -1.506 -0.000) 4.420 12.499 ( 4.858 7.357 0.000) 8.816 12.513 ( -4.623 -12.050 -0.000) 12.907 13.019 ( 18.389 9.675 -0.000) 20.779 13.564 ( -4.880 3.634 0.000) 6.084 13.764 ( -6.681 6.151 0.000) 9.081 14.568 ( 12.873 -6.297 -0.000) 14.331 14.696 ( -8.724 11.571 0.000) 14.491 15.289 ( 1.025 13.238 0.000) 13.278 15.430 ( -12.422 4.615 0.000) 13.252 15.448 ( 0.615 -2.948 -0.000) 3.011 15.695 ( 2.363 -4.944 -0.000) 5.480 16.378 ( -20.497 -11.144 0.000) 23.331 16.704 ( -7.125 -4.085 0.000) 8.213 16.939 ( -1.506 0.341 0.000) 1.544 17.398 ( 2.316 -3.707 -0.000) 4.371 18.959 ( -0.396 18.943 0.000) 18.947 20.664 ( 0.003 -4.577 -0.000) 4.577 21.100 ( 3.080 -2.351 -0.000) 3.874 21.368 ( 16.038 0.372 -0.000) 16.042 ======================= Grid point 63 (59/160) ======================= q-point: (-0.32 0.49 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 13.018 -13.321 -3.349) 18.924 4.020 ( 22.931 -11.593 -0.305) 25.697 4.351 ( -1.200 2.266 -5.440) 6.014 4.721 ( -3.451 -0.553 1.871) 3.964 5.098 ( -4.841 -12.005 -16.211) 20.745 5.349 ( 0.194 -5.243 -1.422) 5.436 5.400 ( 0.347 5.020 -0.574) 5.065 5.682 ( -1.819 -15.381 7.024) 17.006 6.358 ( 6.329 -4.148 -8.938) 11.711 6.564 ( 29.872 -2.370 -1.467) 30.002 6.685 ( -4.458 -0.388 1.770) 4.812 8.125 ( -2.960 12.574 18.111) 22.246 9.087 ( -27.010 3.306 -8.206) 28.422 9.363 ( 14.087 3.529 2.111) 14.675 9.700 ( 11.198 2.097 5.240) 12.541 10.246 ( -11.773 10.087 -8.158) 17.519 10.402 ( 3.809 3.589 3.708) 6.414 10.706 ( -0.929 -2.817 2.866) 4.125 10.756 ( 9.001 10.145 7.642) 15.568 11.008 ( -18.542 9.005 7.631) 21.981 11.437 ( 5.136 -10.906 -8.301) 14.637 11.764 ( 2.388 -25.213 -1.131) 25.351 11.948 ( 7.211 -6.525 1.623) 9.859 12.413 ( -16.291 1.918 -3.185) 16.710 12.784 ( 1.784 11.998 -12.534) 17.442 13.144 ( 2.580 3.154 3.494) 5.367 13.343 ( 22.651 -14.723 4.675) 27.417 14.086 ( -0.186 -7.954 -14.964) 16.948 14.493 ( -2.463 9.547 2.527) 10.179 14.860 ( -10.652 4.386 3.200) 11.956 15.486 ( 10.906 -10.787 -0.919) 15.367 15.606 ( 3.404 -10.020 -1.958) 10.762 15.683 ( -4.461 -3.646 -5.026) 7.646 15.738 ( 1.823 -11.740 1.902) 12.032 16.555 ( -4.287 1.367 6.378) 7.805 16.889 ( -4.962 8.353 -5.095) 10.971 17.427 ( 1.913 21.502 2.080) 21.687 17.631 ( 3.885 13.534 3.095) 14.417 19.451 ( 10.776 -18.074 -0.176) 21.043 19.984 ( -7.041 -7.852 -6.898) 12.602 20.757 ( 0.223 2.900 7.706) 8.236 21.109 ( -1.170 7.197 1.771) 7.503 ======================= Grid point 64 (60/160) ======================= q-point: ( 0.18 0.15 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 20.892 23.806 11.561) 33.718 3.072 ( 23.644 19.819 23.271) 38.644 4.236 ( 4.940 -0.753 0.138) 4.998 4.651 ( 5.720 3.492 6.166) 9.107 4.767 ( 17.876 18.330 13.527) 28.958 5.224 ( -5.674 5.159 -9.632) 12.312 5.651 ( -13.951 5.932 -3.046) 15.463 5.743 ( 3.241 1.701 0.531) 3.699 5.985 ( -2.154 7.789 3.075) 8.647 6.089 ( -0.712 6.616 7.934) 10.355 6.699 ( 22.986 4.103 4.720) 23.821 7.177 ( 9.886 2.267 5.650) 11.610 8.336 ( 1.508 -13.513 14.636) 19.978 9.345 ( 11.987 6.613 4.108) 14.293 10.215 ( 4.290 -2.625 0.199) 5.033 10.395 ( 5.356 -5.822 -12.928) 15.157 10.609 ( -3.359 0.065 10.405) 10.934 10.621 ( 3.887 -1.491 15.137) 15.699 10.842 ( 2.980 -6.329 -5.656) 8.996 10.968 ( -3.237 11.316 -5.111) 12.832 11.490 ( 2.365 16.039 -1.911) 16.325 11.778 ( -7.739 -8.300 -5.798) 12.744 11.975 ( 9.834 11.731 5.904) 16.407 12.309 ( -5.555 8.719 -4.857) 11.422 12.666 ( -9.293 -5.260 -3.663) 11.289 12.768 ( 0.455 -8.611 7.653) 11.529 13.624 ( -8.761 -2.687 0.307) 9.169 13.864 ( 5.688 5.083 -0.588) 7.651 14.358 ( 6.521 3.745 -1.155) 7.607 14.902 ( 13.602 6.066 2.186) 15.053 14.953 ( -1.481 -0.765 -5.258) 5.516 15.343 ( 3.765 -0.416 -1.463) 4.061 15.662 ( 0.006 8.414 2.633) 8.816 15.795 ( -4.242 0.797 1.314) 4.511 16.576 ( 7.676 0.731 -1.734) 7.904 16.870 ( 4.627 -5.619 -4.037) 8.323 17.340 ( 1.326 -15.505 9.069) 18.011 17.589 ( 0.163 -11.987 8.018) 14.422 19.031 ( 3.124 20.034 2.553) 20.437 20.498 ( -8.694 11.490 -5.589) 15.455 21.016 ( -7.767 -9.534 1.381) 12.375 21.203 ( -1.470 -2.942 0.784) 3.381 ======================= Grid point 65 (61/160) ======================= q-point: (-0.32 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -1.757 -13.125 -29.684) 32.504 3.168 ( -20.345 -11.740 -29.122) 37.415 4.158 ( -3.150 12.177 -0.208) 12.580 4.582 ( -2.837 13.698 -1.675) 14.089 4.984 ( -1.112 -23.361 -15.673) 28.154 5.179 ( -4.310 2.801 -1.063) 5.249 5.618 ( -6.752 0.091 -6.888) 9.646 5.823 ( 6.118 -17.432 0.007) 18.474 6.014 ( 2.373 -5.765 3.059) 6.945 6.285 ( -10.110 -8.882 -10.425) 17.023 6.762 ( 12.801 -6.519 -17.759) 22.842 7.212 ( -4.520 -5.893 -6.516) 9.880 8.538 ( 1.227 12.906 -4.445) 13.705 9.146 ( -13.534 -7.618 -1.815) 15.637 9.950 ( -7.098 6.404 10.930) 14.521 10.183 ( -2.555 2.339 -0.901) 3.580 10.548 ( -1.799 19.631 17.021) 26.045 10.768 ( 0.538 -3.825 -2.802) 4.772 10.867 ( -1.737 -8.388 -2.786) 9.008 11.079 ( 0.484 -8.030 -14.524) 16.603 11.504 ( -0.526 -11.308 -6.887) 13.250 11.726 ( 6.016 3.283 13.399) 15.050 12.050 ( 0.911 -1.929 -4.056) 4.583 12.160 ( -3.508 -1.624 -0.403) 3.886 12.960 ( 0.966 9.775 -12.664) 16.026 13.041 ( 17.178 -0.102 -6.478) 18.359 13.675 ( -8.757 1.615 -1.501) 9.030 13.753 ( 6.560 -3.233 7.571) 10.526 14.217 ( -12.303 -5.660 -7.721) 15.589 14.703 ( -6.121 -2.968 -3.496) 7.648 14.997 ( 3.213 3.606 3.651) 6.054 15.273 ( -3.177 1.314 -3.092) 4.623 15.664 ( -0.677 -1.905 0.557) 2.097 15.933 ( 5.754 -4.303 -0.330) 7.192 16.452 ( -6.755 -3.668 -5.029) 9.186 16.718 ( -2.749 3.062 4.761) 6.293 17.463 ( -0.171 14.342 -4.011) 14.893 17.744 ( 0.728 12.556 -6.026) 13.946 19.057 ( -1.523 -19.173 -4.786) 19.820 20.519 ( 4.071 -10.870 4.295) 12.377 21.083 ( 4.658 5.757 7.022) 10.205 21.227 ( 1.036 3.217 1.083) 3.549 ======================= Grid point 66 (62/160) ======================= q-point: ( 0.18 -0.51 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -21.024 14.069 -0.404) 25.300 3.731 ( -13.881 24.433 -12.178) 30.626 4.327 ( 1.252 5.815 0.816) 6.004 4.727 ( 3.481 5.935 6.287) 9.320 4.885 ( 5.512 9.463 12.497) 16.616 5.310 ( -0.062 1.691 -0.850) 1.893 5.488 ( 0.807 0.483 -0.685) 1.163 5.769 ( -7.327 6.379 1.594) 9.845 5.836 ( 0.294 0.724 5.900) 5.952 6.344 ( -16.042 7.464 -11.468) 21.084 6.860 ( 6.374 1.006 -3.775) 7.476 8.476 ( -6.981 -13.872 -12.347) 19.840 8.607 ( -40.855 -4.094 -5.177) 41.384 9.636 ( 2.301 -3.676 0.361) 4.352 9.794 ( 24.314 -3.217 0.890) 24.542 10.315 ( 12.542 -7.879 4.512) 15.483 10.436 ( 3.296 -0.694 0.700) 3.440 10.714 ( -10.599 -1.526 -8.331) 13.567 10.814 ( -3.294 -5.833 -7.696) 10.203 11.078 ( 0.377 12.825 10.531) 16.599 11.490 ( 6.285 1.898 -0.141) 6.567 11.765 ( 3.248 25.506 -2.384) 25.822 11.818 ( -3.716 -0.119 1.830) 4.144 12.441 ( 0.192 -11.809 14.882) 18.999 12.614 ( 3.317 -6.986 1.466) 7.871 12.995 ( -19.395 9.078 -11.127) 24.133 13.298 ( 3.037 0.383 -3.957) 5.003 13.879 ( 5.979 13.409 10.127) 17.835 14.508 ( -0.690 -6.421 1.752) 6.691 15.024 ( 0.441 -4.607 1.849) 4.984 15.299 ( -8.537 7.223 -3.729) 11.788 15.477 ( -4.705 8.208 -0.274) 9.465 15.630 ( 2.048 7.765 3.443) 8.737 15.792 ( -1.154 6.636 -2.003) 7.027 16.673 ( 0.973 -1.361 0.211) 1.686 16.909 ( 3.199 -5.031 2.356) 6.411 17.395 ( -2.920 -20.448 -2.136) 20.765 17.658 ( -1.938 -15.211 -4.352) 15.940 19.291 ( -9.632 18.682 -3.303) 21.277 20.011 ( 11.943 16.057 7.167) 21.257 20.904 ( 0.447 -11.133 -5.278) 12.329 21.162 ( 0.851 -5.495 -1.262) 5.702 ======================= Grid point 67 (63/160) ======================= q-point: (-0.32 0.15 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 25.598 -29.453 2.286) 39.089 2.672 ( 27.391 -24.068 -15.054) 39.448 4.160 ( 22.897 -29.126 -14.841) 39.911 4.273 ( 11.409 -11.872 -8.947) 18.739 4.787 ( 2.644 -0.879 3.842) 4.746 5.488 ( -3.368 -5.562 13.904) 15.350 5.638 ( -10.946 -3.329 -1.918) 11.601 5.760 ( 1.354 -2.148 1.157) 2.790 5.977 ( -3.092 -3.271 -3.854) 5.926 6.074 ( 0.968 -7.357 9.655) 12.177 6.551 ( 14.380 -7.979 -10.398) 19.457 7.060 ( 24.126 1.462 -4.434) 24.573 8.026 ( -1.130 12.216 -14.377) 18.900 9.271 ( 9.521 -8.001 -2.784) 12.744 10.147 ( 3.640 1.788 -5.685) 6.983 10.299 ( -2.569 -6.386 -8.900) 11.251 10.456 ( 7.811 7.151 -5.057) 11.736 10.712 ( 11.227 -2.868 13.045) 17.449 10.940 ( -2.408 6.458 2.645) 7.383 11.044 ( -5.033 -7.219 1.417) 8.914 11.460 ( 15.081 -18.164 -4.390) 24.013 11.872 ( -6.532 9.771 4.940) 12.749 12.000 ( -3.719 -5.078 6.492) 9.042 12.336 ( -11.478 -12.884 -1.584) 17.328 12.642 ( 3.520 11.339 -2.840) 12.207 12.801 ( -2.727 2.390 5.323) 6.441 13.590 ( -7.498 2.425 -2.011) 8.133 13.870 ( 5.349 -6.876 0.027) 8.712 14.395 ( 2.280 -0.134 1.582) 2.779 14.866 ( 9.984 -11.798 0.124) 15.456 15.123 ( 2.766 -4.214 9.475) 10.732 15.390 ( 0.048 0.959 2.573) 2.746 15.604 ( 0.404 -9.220 -2.082) 9.461 15.744 ( -1.812 1.588 -4.184) 4.828 16.641 ( 8.747 3.681 4.926) 10.692 16.948 ( 9.886 8.884 2.737) 13.570 17.109 ( 4.735 14.458 -12.135) 19.461 17.428 ( -1.209 8.109 -7.378) 11.030 18.994 ( 2.452 -19.860 -1.242) 20.049 20.604 ( -4.928 -3.792 4.684) 7.786 20.950 ( -12.980 4.523 -4.416) 14.437 21.184 ( -2.595 1.122 -0.913) 2.971 ======================= Grid point 68 (64/160) ======================= q-point: (-0.20 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -11.433 -2.989 -31.392) 33.543 3.158 ( -12.178 -20.720 -28.248) 37.088 4.316 ( 3.457 2.920 -5.459) 7.091 4.707 ( -0.933 -4.113 -1.938) 4.642 4.762 ( -2.310 -4.573 -5.137) 7.255 5.153 ( -3.918 -6.004 -18.105) 19.473 5.562 ( 7.250 5.993 1.502) 9.525 5.676 ( 0.829 -2.286 0.765) 2.550 5.946 ( 2.731 -6.697 -2.360) 7.608 6.201 ( 0.061 -5.889 -17.382) 18.353 6.667 ( -25.398 -4.724 -1.909) 25.904 7.330 ( -9.201 5.204 -5.990) 12.150 8.838 ( -6.403 9.321 -9.480) 14.756 9.318 ( -19.221 -4.937 -6.036) 20.742 10.124 ( -4.148 -3.199 4.166) 6.692 10.293 ( -3.271 2.870 8.735) 9.759 10.516 ( 1.690 -5.443 10.067) 11.569 10.768 ( 3.381 4.231 2.680) 6.043 10.823 ( 6.760 -3.059 -0.929) 7.478 11.115 ( -2.909 -4.968 -2.195) 6.161 11.331 ( -0.963 5.200 -22.605) 23.215 11.736 ( 3.492 5.120 11.128) 12.738 11.942 ( -3.741 -8.714 -7.524) 12.105 12.125 ( 1.446 -3.521 -4.383) 5.806 12.746 ( 14.089 5.970 1.507) 15.376 13.077 ( 1.929 0.906 -9.598) 9.832 13.594 ( 7.222 1.480 6.129) 9.587 13.785 ( -0.344 -3.276 -2.202) 3.962 14.298 ( -8.889 -4.002 -6.166) 11.535 14.875 ( -11.334 1.329 -0.918) 11.449 15.020 ( -0.634 2.050 -2.473) 3.274 15.345 ( -2.520 -0.341 -0.932) 2.708 15.529 ( 1.508 -7.714 -4.242) 8.932 15.760 ( 4.659 -1.864 2.395) 5.560 16.567 ( -7.049 0.773 -2.470) 7.509 16.843 ( -3.362 2.197 6.784) 7.884 17.832 ( -1.035 16.737 -2.921) 17.022 18.027 ( -0.061 14.443 -4.751) 15.205 18.718 ( -4.809 -17.532 -8.504) 20.071 20.001 ( 12.688 -17.263 8.381) 23.005 21.149 ( -0.369 2.845 4.168) 5.060 21.319 ( 2.157 6.508 -0.002) 6.856 ======================= Grid point 69 (65/160) ======================= q-point: ( 0.30 -0.63 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 2.086 12.058 4.412) 13.008 4.282 ( -4.270 1.489 -3.484) 5.709 4.408 ( 3.388 5.729 -4.416) 7.988 4.785 ( -2.093 -1.109 -3.603) 4.311 5.000 ( 5.027 10.683 12.207) 16.983 5.286 ( 6.299 -1.256 -0.107) 6.424 5.453 ( -4.895 6.530 2.941) 8.675 5.831 ( -4.106 -3.479 8.981) 10.470 6.199 ( -13.457 9.008 11.194) 19.687 6.493 ( 0.621 -8.135 2.237) 8.460 7.012 ( -1.930 18.645 -9.160) 20.863 8.076 ( 0.918 -23.918 -12.664) 27.080 8.881 ( 42.874 -0.999 7.322) 43.507 9.361 ( -13.369 0.855 -2.252) 13.584 9.754 ( -9.982 -3.666 -2.535) 10.932 9.916 ( -8.708 -5.072 3.754) 10.754 10.451 ( -1.610 -0.100 -6.285) 6.488 10.715 ( -2.325 -7.897 -10.389) 13.255 10.963 ( 7.041 -4.283 -5.037) 9.659 11.053 ( -6.435 4.962 -10.473) 13.256 11.596 ( 1.182 16.996 6.048) 18.078 11.918 ( 7.275 -2.543 14.327) 16.268 12.020 ( -2.826 0.654 3.221) 4.335 12.344 ( 7.159 -3.573 -0.878) 8.049 12.450 ( -5.106 12.622 6.939) 15.282 13.101 ( -2.791 -8.123 -1.568) 8.731 13.710 ( -8.154 7.407 1.344) 11.098 13.884 ( 3.377 1.973 2.902) 4.870 14.441 ( 1.914 2.792 1.943) 3.903 14.792 ( 4.037 -6.935 -1.559) 8.174 15.592 ( 0.845 4.464 4.453) 6.362 15.711 ( -1.671 7.945 2.258) 8.427 15.761 ( -0.404 7.618 3.664) 8.463 15.885 ( 3.921 -0.222 1.675) 4.270 16.633 ( 2.991 0.716 -2.984) 4.285 16.753 ( 1.673 0.024 -1.531) 2.268 17.093 ( -3.836 -12.636 -2.037) 13.362 17.366 ( -2.493 -16.305 -2.577) 16.694 19.757 ( 1.242 15.258 1.696) 15.402 20.184 ( -4.284 7.077 -3.917) 9.154 20.716 ( 0.774 -4.371 0.165) 4.442 21.000 ( -0.658 -7.846 -1.905) 8.101 ======================= Grid point 71 (66/160) ======================= q-point: ( 0.30 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -28.709 21.629 0.000) 35.945 3.152 ( -13.766 32.067 0.000) 34.897 4.220 ( -5.095 -0.415 0.000) 5.112 4.701 ( 1.032 10.923 0.000) 10.971 5.146 ( -13.628 34.027 0.000) 36.654 5.594 ( 5.579 -0.714 -0.000) 5.625 5.771 ( 5.971 6.188 -0.000) 8.599 5.846 ( 3.417 -5.052 -0.000) 6.098 5.882 ( -24.087 2.563 0.000) 24.223 6.520 ( 7.540 11.776 0.000) 13.983 6.620 ( -9.255 11.737 0.000) 14.947 7.071 ( -24.376 12.568 0.000) 27.425 7.578 ( 6.723 -14.145 -0.000) 15.661 9.411 ( -4.191 7.339 0.000) 8.452 10.134 ( 2.726 5.487 0.000) 6.126 10.165 ( -11.282 -12.101 0.000) 16.545 10.325 ( 6.153 2.989 -0.000) 6.840 10.761 ( 12.600 -13.402 -0.000) 18.395 10.897 ( 4.933 -9.123 -0.000) 10.372 11.192 ( -13.889 12.996 0.000) 19.021 11.585 ( -10.144 -9.730 0.000) 14.056 11.905 ( -12.624 24.244 0.000) 27.334 11.990 ( 9.595 -8.233 -0.000) 12.643 12.361 ( -5.362 -10.793 -0.000) 12.052 12.689 ( -6.919 8.083 0.000) 10.640 12.938 ( 13.756 11.502 -0.000) 17.931 13.485 ( 12.720 -5.638 -0.000) 13.914 14.043 ( -6.484 8.580 0.000) 10.755 14.365 ( -2.381 -2.846 -0.000) 3.711 15.186 ( -13.185 14.408 0.000) 19.530 15.309 ( 5.188 -4.014 -0.000) 6.559 15.423 ( 1.808 -3.464 -0.000) 3.908 15.732 ( -6.533 6.803 0.000) 9.432 15.734 ( -3.459 12.931 0.000) 13.386 16.480 ( -15.138 -10.441 0.000) 18.390 16.721 ( -7.689 -9.466 -0.000) 12.195 16.967 ( 3.930 5.739 0.000) 6.955 17.209 ( 5.585 -7.114 -0.000) 9.045 19.400 ( -2.142 18.954 0.000) 19.075 20.594 ( -1.787 -2.480 -0.000) 3.057 20.828 ( 14.429 -6.470 -0.000) 15.813 21.154 ( 5.848 -2.486 -0.000) 6.354 ======================= Grid point 72 (67/160) ======================= q-point: (-0.20 0.37 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 24.658 -21.836 8.230) 33.949 3.272 ( 33.605 -6.948 -6.171) 34.866 4.348 ( 3.887 0.380 -6.424) 7.518 4.775 ( -0.810 -0.434 -2.870) 3.013 4.928 ( -7.244 -11.719 -13.354) 19.187 5.256 ( -2.794 -5.939 1.853) 6.820 5.349 ( 6.766 -5.069 -1.153) 8.532 5.569 ( 2.278 -0.142 6.254) 6.657 5.828 ( 25.813 -4.380 11.384) 28.550 6.231 ( 4.384 0.187 -12.910) 13.635 6.700 ( 1.066 -1.571 10.472) 10.643 8.371 ( 0.508 8.564 17.376) 19.378 8.718 ( 40.477 7.146 -2.454) 41.176 9.569 ( 10.460 0.275 6.546) 12.342 9.963 ( -35.369 2.905 -5.463) 35.906 10.313 ( 5.305 -0.997 1.568) 5.621 10.489 ( -3.521 1.600 1.059) 4.010 10.703 ( 12.383 7.731 4.282) 15.213 10.934 ( 3.176 0.636 -6.484) 7.248 11.133 ( -0.929 -26.582 -3.000) 26.766 11.256 ( -8.319 3.426 -7.761) 11.882 11.456 ( -1.268 -0.618 3.641) 3.905 11.764 ( -10.013 -1.962 3.368) 10.745 12.554 ( 28.530 -7.248 3.709) 29.669 12.746 ( -10.612 4.521 1.347) 11.613 13.024 ( 2.339 10.710 -10.977) 15.514 13.222 ( -6.183 0.303 4.565) 7.691 13.783 ( 2.372 -12.340 -7.177) 14.471 14.690 ( 4.342 4.549 -3.932) 7.416 15.067 ( 5.707 -2.573 0.396) 6.273 15.102 ( 4.836 -3.176 2.984) 6.510 15.327 ( 2.142 -5.969 0.616) 6.371 15.414 ( -1.468 -7.733 3.391) 8.571 15.720 ( -1.049 -1.583 -2.146) 2.866 16.655 ( -3.302 0.885 4.470) 5.627 17.124 ( -4.042 4.573 -7.193) 9.434 17.782 ( 3.584 15.634 1.392) 16.100 17.884 ( 3.720 17.675 4.869) 18.707 18.794 ( 11.173 -21.717 3.165) 24.627 20.005 ( -9.892 -6.876 -17.156) 20.964 20.870 ( -3.147 4.000 14.364) 15.239 21.222 ( 0.825 3.053 1.306) 3.421 ======================= Grid point 74 (68/160) ======================= q-point: ( 0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( -16.183 14.161 0.000) 21.504 3.934 ( -7.439 20.366 0.000) 21.682 4.334 ( -4.350 2.276 0.000) 4.910 4.612 ( 8.551 -1.942 -0.000) 8.769 5.452 ( 4.525 -4.975 -0.000) 6.725 5.454 ( 1.934 -4.636 -0.000) 5.023 5.766 ( -5.302 -1.845 0.000) 5.614 6.198 ( -4.633 -7.835 -0.000) 9.102 6.246 ( -5.072 16.459 0.000) 17.222 6.838 ( -7.466 29.420 0.000) 30.353 6.912 ( -1.463 -1.026 0.000) 1.787 7.112 ( 11.530 -9.490 -0.000) 14.933 7.973 ( -36.146 16.356 0.000) 39.675 9.605 ( -3.002 5.803 0.000) 6.534 10.112 ( 7.748 -12.089 -0.000) 14.358 10.159 ( 11.164 -1.971 -0.000) 11.336 10.208 ( -14.567 -5.574 0.000) 15.596 10.250 ( 8.082 -2.677 -0.000) 8.513 10.530 ( 10.896 1.581 -0.000) 11.010 11.235 ( 18.519 -9.317 -0.000) 20.731 11.862 ( -14.200 4.380 0.000) 14.860 11.883 ( -8.485 1.870 0.000) 8.689 12.253 ( -4.689 -7.047 -0.000) 8.464 12.397 ( -6.596 1.045 0.000) 6.678 12.879 ( 2.802 7.312 0.000) 7.831 13.055 ( 10.564 -10.470 -0.000) 14.874 13.290 ( -9.986 24.837 0.000) 26.769 14.210 ( 9.746 -9.836 -0.000) 13.847 14.369 ( -9.339 7.859 0.000) 12.206 14.979 ( 8.382 -11.704 -0.000) 14.396 15.526 ( -11.107 2.667 0.000) 11.423 15.734 ( -13.922 9.367 0.000) 16.779 15.936 ( -0.604 5.109 0.000) 5.144 16.018 ( -0.068 4.371 0.000) 4.372 16.542 ( -10.402 -6.910 0.000) 12.488 16.608 ( -4.190 -7.214 -0.000) 8.343 16.917 ( 8.296 -5.117 -0.000) 9.748 17.081 ( 6.584 14.151 0.000) 15.607 19.778 ( -4.204 10.481 0.000) 11.293 20.361 ( 14.719 -10.601 -0.000) 18.140 20.676 ( -4.543 4.781 0.000) 6.595 20.963 ( 5.212 -5.789 -0.000) 7.789 ======================= Grid point 75 (69/160) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 30.289 -0.000 14.672) 33.655 2.480 ( 39.045 0.000 -1.751) 39.084 4.266 ( 3.532 0.000 -5.443) 6.489 4.374 ( 51.861 -0.000 23.898) 57.102 4.762 ( 1.622 0.000 -1.652) 2.315 5.143 ( -7.567 0.000 -18.092) 19.610 5.375 ( -12.486 -0.000 1.094) 12.534 5.534 ( 0.900 -0.000 5.665) 5.736 5.726 ( -8.024 -0.000 2.305) 8.348 6.166 ( 3.051 0.000 -8.749) 9.266 6.588 ( 8.730 -0.000 14.225) 16.690 8.025 ( 41.716 0.000 -4.947) 42.009 8.438 ( 3.367 -0.000 14.990) 15.363 9.297 ( 15.261 0.000 5.740) 16.305 10.156 ( 7.729 0.000 0.317) 7.736 10.437 ( -2.488 0.000 -4.820) 5.424 10.536 ( 11.740 -0.000 5.049) 12.780 10.704 ( 1.299 -0.000 4.214) 4.410 10.746 ( -22.068 -0.000 1.293) 22.106 10.972 ( -5.350 0.000 -4.559) 7.029 11.076 ( 15.760 -0.000 8.686) 17.995 11.500 ( 13.465 0.000 -2.803) 13.754 12.011 ( -12.812 -0.000 -3.517) 13.286 12.206 ( -3.262 0.000 -5.378) 6.290 12.935 ( -2.195 -0.000 0.722) 2.311 13.064 ( 6.445 0.000 -6.380) 9.069 13.428 ( -13.878 -0.000 4.029) 14.451 13.629 ( -1.425 0.000 -1.236) 1.886 14.515 ( 13.268 0.000 -4.271) 13.939 14.825 ( 12.020 -0.000 6.298) 13.570 14.949 ( 1.697 -0.000 2.372) 2.917 15.357 ( -4.854 -0.000 -0.116) 4.855 15.424 ( -1.513 0.000 -5.008) 5.232 15.718 ( -1.786 -0.000 2.289) 2.903 16.711 ( -1.376 -0.000 0.809) 1.596 17.216 ( -0.310 0.000 -9.272) 9.278 17.965 ( -1.598 -0.000 1.466) 2.168 17.968 ( 18.831 -0.000 12.960) 22.860 18.369 ( -3.786 -0.000 -1.477) 4.064 20.071 ( -6.915 0.000 -17.977) 19.262 20.993 ( -4.333 -0.000 16.502) 17.061 21.224 ( 1.541 -0.000 1.625) 2.239 ======================= Grid point 76 (70/160) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -0.000 23.362 10.544) 25.632 3.438 ( -0.000 24.714 -3.449) 24.954 3.712 ( 0.000 -9.277 -11.412) 14.707 4.196 ( 0.000 -5.691 -22.289) 23.004 4.990 ( 0.000 -0.227 -4.478) 4.484 5.397 ( 0.000 1.046 -6.483) 6.566 5.815 ( 0.000 1.548 -1.254) 1.993 6.127 ( 0.000 1.704 -2.471) 3.001 6.318 ( -0.000 0.448 16.451) 16.457 6.826 ( -0.000 2.549 5.055) 5.662 6.989 ( -0.000 24.252 -1.325) 24.288 7.144 ( -0.000 6.247 13.382) 14.769 8.133 ( -0.000 -0.678 11.639) 11.659 9.255 ( 0.000 -0.721 -5.861) 5.906 9.747 ( -0.000 -6.000 5.475) 8.122 9.869 ( 0.000 -17.080 -15.076) 22.782 10.089 ( 0.000 3.352 -10.401) 10.928 10.651 ( 0.000 7.514 -3.193) 8.164 11.169 ( -0.000 3.353 7.056) 7.812 11.532 ( -0.000 -1.936 13.170) 13.312 11.659 ( -0.000 2.322 11.548) 11.779 11.816 ( 0.000 5.062 -2.109) 5.484 11.984 ( -0.000 -21.209 9.452) 23.220 12.141 ( 0.000 2.831 -2.566) 3.821 12.513 ( 0.000 16.726 -10.681) 19.845 13.412 ( -0.000 2.007 -0.369) 2.040 13.573 ( 0.000 2.837 -18.934) 19.146 14.044 ( -0.000 8.501 7.299) 11.205 14.172 ( 0.000 -9.007 0.815) 9.044 14.814 ( 0.000 3.401 -3.443) 4.840 14.955 ( 0.000 -5.668 -10.011) 11.505 15.328 ( 0.000 7.281 -8.700) 11.345 15.478 ( -0.000 -2.388 4.639) 5.217 16.091 ( 0.000 -0.584 -0.274) 0.645 16.536 ( -0.000 5.800 6.452) 8.676 16.569 ( -0.000 -2.750 4.839) 5.566 17.226 ( -0.000 -1.257 1.644) 2.069 17.346 ( -0.000 5.181 2.012) 5.558 19.670 ( 0.000 3.709 -1.305) 3.932 20.392 ( 0.000 1.115 -2.997) 3.197 21.088 ( -0.000 -6.037 6.405) 8.802 21.254 ( 0.000 -2.671 -0.373) 2.697 ======================= Grid point 77 (71/160) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -14.602 0.000 -26.199) 29.993 3.008 ( -10.285 0.000 -22.216) 24.481 4.231 ( 4.882 0.000 -5.252) 7.171 4.557 ( 15.721 0.000 5.976) 16.818 4.563 ( 6.982 -0.000 4.318) 8.209 5.317 ( -8.934 0.000 -10.915) 14.105 5.443 ( 11.711 0.000 0.635) 11.728 5.765 ( -8.087 0.000 -3.520) 8.819 5.773 ( -1.435 0.000 -5.006) 5.207 6.158 ( -6.809 0.000 -13.838) 15.423 7.075 ( -5.609 0.000 -5.680) 7.983 7.803 ( -37.975 -0.000 3.351) 38.122 9.082 ( -7.279 0.000 -11.040) 13.224 9.678 ( -21.352 0.000 -11.413) 24.211 10.156 ( 20.161 -0.000 17.322) 26.580 10.191 ( -8.356 -0.000 -1.427) 8.477 10.481 ( 0.831 -0.000 8.446) 8.487 10.597 ( 7.727 0.000 0.750) 7.764 10.743 ( 2.667 0.000 -3.140) 4.120 10.995 ( 1.955 0.000 0.045) 1.956 11.372 ( 9.551 0.000 -3.467) 10.161 11.666 ( 13.988 0.000 1.366) 14.054 12.107 ( -7.955 0.000 -20.079) 21.597 12.115 ( -23.891 -0.000 -1.145) 23.919 12.668 ( 4.914 -0.000 9.482) 10.680 13.002 ( 3.248 0.000 -4.676) 5.693 13.482 ( 7.135 -0.000 3.708) 8.041 13.593 ( 13.218 0.000 -1.143) 13.267 14.453 ( -10.210 -0.000 -3.477) 10.786 15.042 ( -0.941 -0.000 0.191) 0.961 15.116 ( -9.231 0.000 -5.902) 10.956 15.385 ( 4.106 0.000 -2.985) 5.077 15.392 ( -4.082 0.000 -2.688) 4.888 15.666 ( 3.108 -0.000 4.886) 5.791 16.699 ( -4.702 0.000 -2.662) 5.403 16.919 ( -2.229 -0.000 7.134) 7.474 18.049 ( -0.603 0.000 -1.813) 1.910 18.231 ( 3.057 -0.000 5.273) 6.095 18.633 ( -12.637 0.000 -19.432) 23.180 19.512 ( 15.436 -0.000 10.340) 18.579 21.208 ( -2.112 -0.000 3.574) 4.151 21.350 ( 2.341 0.000 -1.091) 2.583 ======================= Grid point 78 (72/160) ======================= q-point: (-0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 12.385 -10.777 3.309) 16.748 4.052 ( 14.972 -8.599 -9.706) 19.807 4.222 ( 13.365 3.592 -0.854) 13.865 4.665 ( 8.772 -3.477 9.218) 13.191 5.155 ( -3.157 5.906 6.187) 9.118 5.417 ( -4.417 6.299 1.584) 7.855 5.625 ( -6.289 -1.289 -0.813) 6.471 5.909 ( -6.214 -5.886 5.688) 10.276 6.205 ( -0.036 -4.923 3.007) 5.769 6.555 ( -10.849 -6.252 5.381) 13.629 7.384 ( 10.824 -2.505 -13.737) 17.668 7.598 ( 1.258 5.710 -10.372) 11.906 7.932 ( 32.002 -12.602 3.473) 34.569 9.594 ( -1.248 9.513 10.178) 13.988 9.654 ( -0.185 -0.584 -1.187) 1.335 10.279 ( 6.010 1.782 -6.760) 9.219 10.506 ( 7.309 2.327 -10.001) 12.604 10.624 ( -23.045 1.787 -2.287) 23.227 10.796 ( -9.019 -9.565 -12.209) 17.941 11.321 ( 7.197 -0.330 4.940) 8.736 11.577 ( 1.493 4.024 -0.262) 4.300 11.953 ( 0.709 1.331 6.555) 6.726 12.034 ( 1.154 -0.502 12.721) 12.783 12.220 ( -1.168 6.037 -4.274) 7.489 12.802 ( 0.712 6.398 0.650) 6.471 12.947 ( -5.650 -14.878 4.578) 16.560 13.400 ( 7.639 -6.071 -2.092) 9.979 14.212 ( 4.076 1.591 1.794) 4.729 14.316 ( -2.200 0.898 -0.976) 2.569 14.823 ( -1.997 5.317 5.676) 8.030 15.465 ( 10.114 -3.157 3.983) 11.320 15.608 ( 8.237 -7.951 0.918) 11.485 15.736 ( 11.113 2.433 3.767) 11.984 15.933 ( -4.668 0.060 2.167) 5.147 16.603 ( 1.294 4.139 -2.030) 4.789 16.898 ( 5.028 2.476 -4.509) 7.193 17.019 ( -7.818 1.665 -3.750) 8.829 17.128 ( -4.173 -8.241 -1.584) 9.372 19.801 ( 6.327 -4.107 -0.863) 7.593 20.438 ( -9.185 3.345 -1.601) 9.905 20.680 ( -1.092 0.911 -0.999) 1.738 20.981 ( -5.839 0.866 -0.230) 5.907 ======================= Grid point 79 (73/160) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 0.000 -44.221) 44.221 0.938 ( 0.000 0.000 -45.774) 45.774 1.436 ( 0.000 0.000 -70.482) 70.482 4.210 ( 0.000 0.000 -5.111) 5.111 4.651 ( 0.000 0.000 -1.715) 1.715 5.360 ( -0.000 -0.000 1.723) 1.723 5.498 ( 0.000 0.000 -1.127) 1.127 5.898 ( -0.000 -0.000 15.698) 15.698 6.023 ( 0.000 0.000 -1.976) 1.976 6.091 ( -0.000 -0.000 1.119) 1.119 6.214 ( 0.000 0.000 -4.761) 4.761 6.434 ( 0.000 0.000 -7.416) 7.416 8.312 ( 0.000 0.000 -16.556) 16.556 8.664 ( 0.000 0.000 -0.834) 0.834 9.856 ( 0.000 0.000 -0.665) 0.665 10.083 ( 0.000 0.000 -7.557) 7.557 10.185 ( 0.000 0.000 -18.015) 18.015 10.206 ( -0.000 -0.000 0.124) 0.124 10.569 ( 0.000 0.000 -16.043) 16.043 11.024 ( 0.000 0.000 -0.596) 0.596 11.041 ( -0.000 -0.000 3.137) 3.137 11.792 ( -0.000 -0.000 8.649) 8.649 12.472 ( -0.000 -0.000 5.782) 5.782 12.669 ( -0.000 -0.000 11.906) 11.906 12.802 ( 0.000 0.000 -5.089) 5.089 13.393 ( 0.000 0.000 -2.641) 2.641 13.422 ( 0.000 0.000 -5.877) 5.877 13.646 ( 0.000 0.000 -0.843) 0.843 13.899 ( -0.000 -0.000 2.223) 2.223 14.300 ( -0.000 -0.000 0.148) 0.148 15.055 ( 0.000 0.000 -6.040) 6.040 15.341 ( -0.000 -0.000 1.984) 1.984 15.510 ( -0.000 -0.000 3.433) 3.433 16.138 ( -0.000 -0.000 5.327) 5.327 16.255 ( -0.000 -0.000 0.634) 0.634 16.749 ( 0.000 0.000 -3.115) 3.115 17.582 ( 0.000 0.000 -9.874) 9.874 18.027 ( 0.000 0.000 -0.044) 0.044 18.495 ( -0.000 -0.000 0.916) 0.916 20.293 ( -0.000 -0.000 3.279) 3.279 21.158 ( 0.000 0.000 -1.521) 1.521 21.629 ( -0.000 -0.000 2.593) 2.593 ======================= Grid point 81 (74/160) ======================= q-point: (-0.47 0.13 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 17.094 -27.708 -3.661) 32.761 3.422 ( 24.514 -14.326 -17.865) 33.546 4.154 ( 10.229 7.298 1.713) 12.682 4.523 ( 6.226 5.771 11.523) 14.312 5.223 ( -1.309 -9.214 1.783) 9.476 5.384 ( 7.671 -7.557 6.435) 12.544 5.645 ( -1.908 -2.655 -2.422) 4.069 5.866 ( -9.680 -6.886 -5.136) 12.942 6.232 ( -7.388 -8.902 1.967) 11.734 6.305 ( 1.318 -16.799 -15.451) 22.862 6.786 ( 24.981 -5.924 -2.810) 25.827 7.325 ( 4.803 -10.586 -5.457) 12.842 8.016 ( -3.506 15.847 -12.161) 20.280 9.472 ( 8.058 -5.420 -2.081) 9.931 10.045 ( -3.211 17.489 13.823) 22.523 10.155 ( 8.076 7.473 0.446) 11.012 10.508 ( 3.911 6.513 -8.998) 11.777 10.717 ( 5.553 -6.310 4.308) 9.445 10.820 ( -0.684 -3.790 -11.821) 12.433 11.229 ( -8.392 -7.424 1.021) 11.251 11.620 ( -2.038 1.232 1.835) 3.007 11.787 ( -0.143 -9.865 4.010) 10.650 12.105 ( 5.178 -0.318 1.880) 5.518 12.445 ( 1.745 9.062 0.406) 9.238 12.528 ( 9.155 -3.762 -4.243) 10.768 12.796 ( -14.035 -11.710 2.076) 18.396 13.551 ( -11.928 4.151 -1.013) 12.670 13.948 ( 10.410 -2.960 2.812) 11.182 14.411 ( 2.714 -1.177 -2.465) 3.851 14.894 ( 3.468 2.952 11.412) 12.287 15.104 ( 8.058 -10.207 1.547) 13.097 15.363 ( 7.454 -2.598 0.420) 7.905 15.653 ( 3.707 5.484 -0.659) 6.652 15.922 ( -4.165 -7.020 -1.255) 8.259 16.630 ( 7.074 -2.662 -3.550) 8.350 16.746 ( 3.950 4.183 1.343) 5.908 17.140 ( -2.508 2.971 -6.053) 7.194 17.342 ( -3.484 11.201 -5.005) 12.753 19.446 ( 3.173 -18.201 -2.031) 18.587 20.571 ( 2.806 5.314 0.372) 6.021 20.893 ( -16.266 0.596 0.572) 16.287 21.135 ( -3.130 3.451 0.030) 4.659 ======================= Grid point 83 (75/160) ======================= q-point: (-0.47 0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( 10.219 -6.766 -0.000) 12.256 4.097 ( 9.183 -0.885 -0.000) 9.226 4.386 ( 4.807 -0.013 -0.000) 4.807 4.542 ( -4.089 7.550 0.000) 8.587 5.346 ( -2.960 -0.692 0.000) 3.040 5.375 ( -3.758 -2.387 0.000) 4.452 5.815 ( 4.949 -16.383 -0.000) 17.114 5.848 ( -10.174 -10.101 0.000) 14.337 6.535 ( 7.770 -15.132 -0.000) 17.011 6.635 ( -6.247 3.716 0.000) 7.268 6.777 ( 22.982 -2.302 -0.000) 23.097 7.508 ( -0.382 23.356 0.000) 23.359 9.013 ( -39.581 10.389 0.000) 40.922 9.383 ( 32.246 -4.583 -0.000) 32.570 9.728 ( 3.913 -8.574 -0.000) 9.425 10.080 ( -4.367 10.523 0.000) 11.393 10.315 ( -4.859 4.251 0.000) 6.456 10.424 ( 8.524 8.748 -0.000) 12.214 10.644 ( -19.143 9.473 0.000) 21.359 10.728 ( 12.776 -2.340 -0.000) 12.989 11.811 ( -0.270 -13.925 -0.000) 13.927 12.047 ( 2.419 -3.835 -0.000) 4.534 12.262 ( -7.387 -13.887 -0.000) 15.729 12.439 ( -6.207 0.657 0.000) 6.242 12.752 ( 6.178 1.639 -0.000) 6.392 13.015 ( -1.880 5.141 0.000) 5.474 13.613 ( 22.220 -15.213 -0.000) 26.929 14.027 ( -12.238 20.995 0.000) 24.301 14.553 ( 9.082 -12.495 -0.000) 15.447 14.723 ( -12.324 5.757 0.000) 13.602 15.750 ( -1.451 -3.770 -0.000) 4.039 15.814 ( 0.477 -11.066 -0.000) 11.076 15.830 ( 4.014 -7.701 -0.000) 8.685 15.961 ( 2.690 -6.816 -0.000) 7.327 16.527 ( -7.188 -6.187 0.000) 9.484 16.746 ( -5.660 8.639 0.000) 10.328 16.961 ( 1.029 17.415 0.000) 17.445 17.276 ( 7.870 16.528 0.000) 18.306 19.828 ( 12.534 -15.523 -0.000) 19.952 20.037 ( -8.731 3.686 0.000) 9.477 20.748 ( 3.807 -4.985 -0.000) 6.273 20.916 ( -4.107 8.153 0.000) 9.129 ======================= Grid point 85 (76/160) ======================= q-point: (-0.47 -0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( -3.475 -7.406 -20.693) 22.252 3.752 ( -8.764 16.880 1.780) 19.103 3.852 ( -12.018 2.813 -16.006) 20.212 4.352 ( -5.420 14.548 -13.420) 20.521 5.127 ( -6.327 1.229 -3.305) 7.243 5.379 ( -0.670 -2.532 -6.547) 7.052 5.763 ( 1.680 -2.211 -2.068) 3.463 6.046 ( 2.826 -11.623 12.404) 17.232 6.131 ( 3.596 -5.782 -2.255) 7.172 6.817 ( -9.520 -5.113 -14.153) 17.807 7.193 ( 3.928 -0.229 -2.467) 4.644 7.305 ( 10.059 2.547 0.834) 10.410 8.176 ( 0.657 13.865 7.840) 15.941 9.325 ( -11.834 -5.247 -3.609) 13.439 9.628 ( 1.983 3.789 2.988) 5.217 9.869 ( -6.979 4.653 7.169) 11.034 10.263 ( -7.699 3.188 -5.279) 9.864 10.824 ( -0.329 6.447 -4.960) 8.140 11.137 ( -3.672 -10.336 0.737) 10.994 11.377 ( 4.992 -8.085 14.514) 17.347 11.500 ( 10.088 0.508 5.095) 11.313 11.711 ( -3.754 -7.956 -1.214) 8.881 11.922 ( -5.306 -2.075 3.751) 6.821 12.215 ( 2.875 6.570 -1.797) 7.393 12.954 ( -1.660 15.587 -11.439) 19.405 13.309 ( 7.757 1.973 -12.204) 14.595 13.688 ( 15.317 -6.503 5.831) 17.632 13.767 ( -10.640 -1.091 -10.368) 14.897 14.372 ( -9.652 3.056 4.566) 11.106 14.725 ( 5.881 -2.588 -8.113) 10.349 15.045 ( -10.621 -1.913 -4.823) 11.820 15.336 ( -3.296 -2.565 0.054) 4.177 15.639 ( -1.718 8.172 -6.878) 10.818 16.030 ( 2.363 -3.610 -0.436) 4.337 16.541 ( -0.807 -0.045 7.684) 7.726 16.616 ( -4.182 -2.538 0.485) 4.916 17.242 ( 1.613 7.451 2.065) 7.898 17.539 ( 1.830 12.705 -0.659) 12.853 19.542 ( -1.464 -13.417 -6.483) 14.973 20.576 ( -1.356 8.173 -3.394) 8.953 20.852 ( 7.495 -7.442 11.011) 15.258 21.166 ( 2.609 -1.294 3.415) 4.488 ======================= Grid point 86 (77/160) ======================= q-point: (-0.35 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( 20.723 -23.565 -0.000) 31.381 3.535 ( 28.105 -11.147 -0.000) 30.235 4.379 ( 3.909 2.298 -0.000) 4.534 4.703 ( 0.830 3.873 0.000) 3.961 5.401 ( -0.320 -7.964 -0.000) 7.970 5.411 ( -2.259 -5.980 -0.000) 6.392 5.550 ( -12.089 -8.147 0.000) 14.578 5.629 ( -5.681 -18.727 -0.000) 19.569 5.809 ( 36.054 -10.482 -0.000) 37.547 6.472 ( 5.060 0.292 -0.000) 5.069 6.605 ( 5.105 -5.855 -0.000) 7.768 7.897 ( 1.596 16.289 0.000) 16.367 8.606 ( 44.025 3.835 -0.000) 44.192 9.515 ( 5.354 -0.801 -0.000) 5.413 9.939 ( -35.775 4.114 0.000) 36.011 10.227 ( 3.703 4.589 0.000) 5.896 10.402 ( 13.017 10.008 -0.000) 16.420 10.468 ( -2.320 1.006 0.000) 2.528 10.917 ( -11.034 11.530 0.000) 15.959 11.303 ( -15.116 8.173 0.000) 17.184 11.504 ( -0.885 -10.359 -0.000) 10.397 11.742 ( 4.807 -7.067 -0.000) 8.547 11.850 ( -6.742 -31.831 -0.000) 32.537 12.636 ( -4.698 5.577 0.000) 7.292 12.640 ( 28.190 -1.877 -0.000) 28.253 12.999 ( 5.693 -0.214 -0.000) 5.697 13.163 ( -7.131 1.351 0.000) 7.258 14.122 ( 7.975 -12.381 -0.000) 14.727 14.541 ( -3.098 11.596 0.000) 12.003 15.049 ( -10.420 2.485 0.000) 10.713 15.297 ( 11.242 -13.467 -0.000) 17.542 15.484 ( 9.016 -8.371 -0.000) 12.303 15.611 ( 3.507 -14.143 -0.000) 14.572 15.803 ( -0.140 -3.354 -0.000) 3.357 16.602 ( -6.630 -1.290 0.000) 6.755 17.062 ( -5.979 9.039 0.000) 10.837 17.357 ( 3.942 20.894 0.000) 21.262 17.467 ( 8.539 16.759 0.000) 18.809 19.220 ( 10.643 -20.553 -0.000) 23.145 20.282 ( -12.244 -0.048 0.000) 12.244 20.651 ( -0.140 -0.813 -0.000) 0.825 21.116 ( -1.338 5.281 0.000) 5.448 ======================= Grid point 88 (78/160) ======================= q-point: (-0.35 -0.32 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( -6.447 -7.268 -27.219) 28.901 4.001 ( -13.392 -11.917 -18.181) 25.532 4.232 ( -3.508 11.093 -1.141) 11.690 4.719 ( -2.456 5.816 -5.347) 8.273 4.962 ( 10.640 -8.145 -1.711) 13.508 5.365 ( 1.999 4.563 -6.653) 8.312 5.674 ( 5.947 -3.785 2.892) 7.619 5.772 ( 3.501 -13.104 -2.701) 13.830 6.079 ( -14.401 -0.822 -0.990) 14.458 6.782 ( 16.319 -9.743 -6.686) 20.148 6.968 ( -15.820 -11.362 -17.751) 26.352 7.281 ( -7.366 7.838 -6.194) 12.412 8.622 ( -4.431 18.884 3.588) 19.725 9.462 ( -10.934 -0.456 -1.868) 11.102 9.756 ( -2.132 5.245 8.641) 10.331 10.180 ( -6.995 6.292 6.455) 11.410 10.447 ( -4.683 3.224 8.447) 10.182 10.695 ( -1.451 -19.112 3.958) 19.571 10.930 ( 6.561 -3.176 5.001) 8.840 11.247 ( 0.531 -0.294 3.134) 3.193 11.495 ( 3.988 5.557 -10.972) 12.929 11.666 ( -6.910 -0.888 -4.862) 8.496 11.944 ( -2.225 -3.900 4.527) 6.376 12.231 ( 9.833 4.385 -1.737) 10.905 12.826 ( 15.639 -0.950 -8.146) 17.659 13.371 ( 1.944 -0.771 -6.436) 6.767 13.495 ( -1.088 1.911 -10.743) 10.966 13.875 ( -3.662 -3.387 -1.475) 5.202 14.560 ( 5.391 -1.185 -4.855) 7.351 14.600 ( -6.459 5.438 4.613) 9.621 15.195 ( -12.157 -3.178 -4.393) 13.311 15.401 ( -6.686 -3.150 -1.413) 7.525 15.725 ( -0.357 -2.887 -5.708) 6.407 15.833 ( 6.739 -5.984 -0.825) 9.050 16.603 ( -3.776 1.718 6.756) 7.928 16.662 ( -2.731 1.893 -1.753) 3.757 17.497 ( 0.081 17.155 0.534) 17.164 17.779 ( 2.037 12.840 0.236) 13.003 19.277 ( -4.331 -15.224 -11.317) 19.457 20.256 ( 10.931 -19.229 6.515) 23.059 20.905 ( 0.935 8.831 5.573) 10.485 21.161 ( 0.939 4.910 3.422) 6.058 ======================= Grid point 89 (79/160) ======================= q-point: ( 0.15 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( 12.355 12.947 5.975) 18.868 3.959 ( 0.192 23.798 8.671) 25.329 4.307 ( 0.050 6.813 -1.369) 6.949 4.605 ( -3.625 12.980 -2.136) 13.645 4.732 ( -2.730 7.500 -2.686) 8.422 5.343 ( 1.099 -0.347 1.136) 1.618 5.463 ( 2.087 -3.346 -2.633) 4.741 5.750 ( -2.022 -3.947 3.980) 5.959 5.841 ( -5.702 10.883 2.395) 12.517 6.537 ( 10.339 0.436 6.854) 12.412 6.880 ( -8.181 2.346 -2.090) 8.764 8.541 ( 26.974 -3.860 -0.093) 27.249 8.816 ( 18.338 -14.594 8.442) 24.911 9.516 ( -18.974 -3.647 -7.590) 20.758 9.887 ( 3.335 -5.967 6.903) 9.715 10.101 ( -20.418 -8.445 -12.193) 25.237 10.501 ( -0.311 0.349 2.442) 2.487 10.802 ( 4.851 15.884 1.268) 16.657 10.885 ( 7.790 1.547 1.199) 8.032 11.056 ( -6.356 -3.082 3.286) 7.790 11.442 ( 0.661 4.693 -4.577) 6.589 11.732 ( -7.993 17.670 -0.754) 19.409 11.931 ( 7.819 0.543 8.073) 11.252 12.172 ( -1.289 -10.900 -8.072) 13.624 12.574 ( 1.548 -6.922 -1.931) 7.352 13.240 ( 2.599 -3.268 6.636) 7.840 13.394 ( 7.373 8.671 10.248) 15.316 13.668 ( -13.554 15.521 -10.101) 22.949 14.488 ( 1.159 -5.201 0.107) 5.330 14.980 ( 4.941 -5.657 -2.408) 7.888 15.411 ( 5.857 4.554 6.798) 10.063 15.493 ( -0.222 8.564 1.001) 8.625 15.560 ( -4.490 6.941 -2.696) 8.695 15.812 ( 2.112 6.413 -0.310) 6.759 16.663 ( -0.433 -1.895 0.032) 1.944 16.866 ( 1.793 -3.996 -2.670) 5.129 17.438 ( -0.825 -20.143 1.820) 20.242 17.711 ( -0.130 -14.321 0.768) 14.342 19.366 ( 6.361 16.114 3.847) 17.746 19.897 ( -8.970 20.656 -3.731) 22.827 20.957 ( 0.054 -12.395 -0.165) 12.396 21.173 ( -0.331 -5.778 -0.310) 5.795 ======================= Grid point 92 (80/160) ======================= q-point: ( 0.27 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 16.162 17.635 8.908) 25.526 4.163 ( 14.113 6.526 14.218) 21.069 4.314 ( 10.503 0.627 -6.137) 12.181 4.581 ( 12.004 -9.788 2.903) 15.759 4.989 ( -6.881 8.005 -5.402) 11.857 5.353 ( -1.323 5.245 -6.415) 8.391 5.599 ( -9.241 4.152 2.627) 10.466 5.808 ( -8.220 2.417 5.638) 10.256 6.154 ( -3.892 3.324 6.588) 8.342 6.465 ( -3.846 2.933 4.772) 6.794 7.181 ( -4.289 15.752 -0.517) 16.334 7.758 ( 46.275 3.575 3.908) 46.577 8.216 ( 2.504 -23.792 5.321) 24.508 9.530 ( -0.720 -3.467 -5.701) 6.711 9.763 ( -0.745 -8.063 -3.274) 8.734 10.371 ( 9.407 -0.182 -3.231) 9.948 10.602 ( -18.681 -1.758 -1.644) 18.835 10.683 ( -0.678 1.006 -2.324) 2.621 10.965 ( -5.389 -3.666 14.894) 16.258 11.210 ( 7.181 6.312 2.155) 9.801 11.509 ( 6.990 10.559 -8.355) 15.171 11.685 ( -5.282 1.198 0.264) 5.422 12.013 ( -0.805 -6.679 -4.033) 7.843 12.377 ( 2.657 2.107 -8.705) 9.342 12.490 ( -10.382 11.289 4.501) 15.984 13.073 ( 5.169 -6.614 12.979) 15.456 13.402 ( 1.499 1.098 2.133) 2.829 14.089 ( 2.794 8.750 -1.777) 9.355 14.386 ( -4.690 -4.231 -0.737) 6.360 14.776 ( 5.029 -1.894 -4.939) 7.299 15.344 ( 9.751 4.451 5.242) 11.931 15.560 ( 8.094 4.308 3.736) 9.901 15.756 ( 7.420 -3.044 -0.758) 8.056 15.833 ( -5.983 6.549 -0.322) 8.876 16.694 ( 0.180 -5.056 -3.963) 6.427 16.759 ( 1.529 8.098 -0.439) 8.253 17.164 ( -3.626 -9.561 2.057) 10.430 17.394 ( -1.197 -15.356 2.987) 15.689 19.594 ( 6.389 16.428 3.262) 17.926 20.493 ( -14.188 12.788 -4.122) 19.540 20.666 ( 1.972 -12.660 0.264) 12.815 21.074 ( -3.336 -5.819 -0.585) 6.732 ======================= Grid point 93 (81/160) ======================= q-point: (-0.23 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 -10.545 -37.462) 38.918 1.890 ( 0.000 -9.423 -40.191) 41.281 3.336 ( 0.000 -41.468 -53.788) 67.917 4.284 ( 0.000 6.048 -5.802) 8.381 4.709 ( 0.000 0.567 -0.245) 0.618 5.270 ( -0.000 4.106 3.025) 5.100 5.582 ( -0.000 -1.504 12.345) 12.436 5.607 ( 0.000 -6.578 -0.781) 6.624 6.052 ( 0.000 0.589 -1.518) 1.628 6.085 ( -0.000 -2.556 1.116) 2.789 6.474 ( 0.000 -8.648 -13.035) 15.643 6.668 ( 0.000 -1.691 -14.491) 14.589 8.591 ( 0.000 5.458 -14.417) 15.415 8.779 ( 0.000 -8.031 -0.993) 8.093 9.997 ( 0.000 -9.250 -0.543) 9.266 10.077 ( -0.000 5.525 0.625) 5.560 10.466 ( 0.000 -13.259 -9.041) 16.048 10.614 ( 0.000 7.116 -23.132) 24.202 10.904 ( 0.000 -5.796 -19.321) 20.172 10.931 ( -0.000 0.890 5.455) 5.527 11.400 ( -0.000 10.742 13.334) 17.123 11.507 ( 0.000 -21.375 -0.157) 21.375 12.249 ( -0.000 8.178 15.598) 17.612 12.322 ( -0.000 -0.060 8.898) 8.899 12.888 ( 0.000 6.065 -10.131) 11.808 13.447 ( 0.000 1.212 -3.831) 4.018 13.469 ( -0.000 9.143 0.410) 9.153 13.646 ( 0.000 -3.225 -12.311) 12.726 13.984 ( -0.000 -8.645 9.886) 13.133 14.381 ( 0.000 -6.808 -1.797) 7.041 15.148 ( 0.000 2.984 -6.378) 7.042 15.364 ( -0.000 3.949 7.447) 8.429 15.490 ( 0.000 -10.886 -2.664) 11.208 16.030 ( -0.000 -1.019 5.116) 5.217 16.217 ( 0.000 2.915 -3.520) 4.571 16.774 ( 0.000 1.901 -0.713) 2.031 17.673 ( 0.000 19.270 -10.574) 21.981 17.795 ( 0.000 10.147 -11.103) 15.041 18.627 ( 0.000 -14.160 0.136) 14.160 20.430 ( -0.000 -14.746 8.331) 16.936 21.187 ( 0.000 -0.270 -0.589) 0.648 21.476 ( -0.000 6.537 4.958) 8.205 ======================= Grid point 95 (82/160) ======================= q-point: (-0.23 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 27.896 -29.292 -0.000) 40.450 2.657 ( 37.537 -11.402 -0.000) 39.231 4.232 ( 52.278 -12.885 -0.000) 53.843 4.326 ( 5.129 1.172 -0.000) 5.262 4.844 ( 8.219 -5.028 -0.000) 9.635 5.375 ( -5.788 -5.859 0.000) 8.236 5.419 ( -11.321 -2.862 0.000) 11.677 5.563 ( -0.840 -5.264 -0.000) 5.331 5.708 ( -13.065 -3.223 0.000) 13.457 6.330 ( 8.102 -5.301 -0.000) 9.682 6.396 ( 6.171 1.617 -0.000) 6.379 7.931 ( 42.838 10.711 -0.000) 44.156 8.144 ( 3.105 10.658 0.000) 11.102 9.293 ( 11.593 -4.454 -0.000) 12.420 10.178 ( 5.616 -1.253 -0.000) 5.754 10.324 ( 12.641 8.486 -0.000) 15.225 10.534 ( -0.793 -0.070 0.000) 0.796 10.671 ( -25.884 1.527 0.000) 25.929 10.919 ( 3.809 -10.474 -0.000) 11.145 11.011 ( 15.698 -9.418 -0.000) 18.306 11.333 ( -9.776 -24.711 -0.000) 26.574 11.551 ( 12.843 -1.312 -0.000) 12.910 12.008 ( -11.788 3.594 0.000) 12.323 12.181 ( -0.403 6.823 0.000) 6.835 12.845 ( -1.696 6.842 0.000) 7.049 13.039 ( 6.229 6.642 -0.000) 9.106 13.379 ( -14.343 0.437 0.000) 14.349 13.764 ( 3.736 -9.482 -0.000) 10.192 14.562 ( 11.952 1.046 -0.000) 11.998 14.840 ( 11.715 -8.303 -0.000) 14.359 15.020 ( 2.071 -8.099 -0.000) 8.360 15.360 ( -4.254 -0.441 0.000) 4.277 15.512 ( -8.884 -1.145 0.000) 8.958 15.694 ( 4.632 -1.933 -0.000) 5.019 16.694 ( -4.324 -0.082 0.000) 4.325 17.306 ( -4.788 3.765 0.000) 6.091 17.589 ( 15.324 15.742 -0.000) 21.969 17.700 ( 6.630 20.238 0.000) 21.296 18.635 ( 3.351 -18.566 -0.000) 18.866 20.454 ( -11.220 -6.132 0.000) 12.786 20.689 ( -2.255 1.222 0.000) 2.565 21.188 ( 1.016 1.641 0.000) 1.930 ======================= Grid point 96 (83/160) ======================= q-point: ( 0.27 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -0.000 30.483 12.352) 32.891 2.804 ( -0.000 38.940 -3.739) 39.119 4.033 ( 0.000 -5.344 -4.593) 7.046 4.722 ( 0.000 9.168 -6.944) 11.501 4.930 ( -0.000 40.261 5.026) 40.573 5.144 ( 0.000 -3.813 -4.989) 6.279 5.745 ( 0.000 2.664 -8.168) 8.592 6.001 ( -0.000 -2.240 5.845) 6.259 6.133 ( 0.000 3.755 -2.584) 4.558 6.296 ( -0.000 2.336 18.956) 19.100 6.638 ( -0.000 7.177 15.500) 17.081 6.722 ( 0.000 27.627 -9.861) 29.334 7.956 ( -0.000 -9.458 15.033) 17.761 9.268 ( 0.000 10.348 -3.611) 10.960 9.821 ( 0.000 -9.847 3.254) 10.370 10.292 ( 0.000 3.103 -12.061) 12.453 10.433 ( -0.000 6.014 1.731) 6.258 10.794 ( 0.000 -13.778 -13.345) 19.181 10.803 ( -0.000 8.370 12.582) 15.112 11.068 ( -0.000 5.827 9.329) 10.999 11.580 ( -0.000 23.489 -4.798) 23.974 11.626 ( -0.000 -19.343 9.971) 21.762 12.193 ( 0.000 1.185 -5.371) 5.500 12.216 ( -0.000 -17.134 7.095) 18.544 12.488 ( 0.000 2.532 -5.776) 6.307 13.370 ( -0.000 1.201 0.723) 1.402 13.708 ( -0.000 7.868 5.962) 9.872 13.753 ( 0.000 10.765 -11.372) 15.658 14.403 ( 0.000 -5.604 -8.247) 9.971 14.766 ( 0.000 7.003 -2.593) 7.468 15.234 ( 0.000 13.945 -9.753) 17.017 15.279 ( 0.000 -5.703 -7.070) 9.084 15.582 ( 0.000 -9.363 1.828) 9.540 16.056 ( -0.000 12.598 19.385) 23.119 16.118 ( 0.000 -0.518 -1.944) 2.012 16.564 ( -0.000 -5.318 4.323) 6.853 17.092 ( -0.000 5.234 4.610) 6.975 17.350 ( -0.000 -6.583 2.932) 7.206 19.381 ( -0.000 19.380 0.515) 19.387 20.537 ( 0.000 -6.055 -1.579) 6.258 21.095 ( -0.000 -4.098 3.555) 5.426 21.382 ( 0.000 -6.145 -2.620) 6.680 ======================= Grid point 97 (84/160) ======================= q-point: (-0.23 -0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( -4.573 -3.760 -21.405) 22.208 3.772 ( -0.612 -17.077 -18.267) 25.014 4.351 ( 5.295 2.823 -6.395) 8.770 4.596 ( 11.907 -5.445 -2.845) 13.398 4.635 ( 4.241 -6.869 -4.318) 9.154 5.357 ( 4.924 -0.699 3.154) 5.889 5.490 ( 5.834 -6.809 0.620) 8.988 5.696 ( -1.237 7.970 -1.126) 8.144 6.090 ( -0.165 -7.036 -12.498) 14.343 6.477 ( -3.760 -2.838 -9.855) 10.923 7.071 ( 7.881 3.867 0.749) 8.810 7.805 ( -39.949 -0.633 -5.487) 40.329 9.033 ( -3.709 11.392 5.287) 13.095 9.704 ( 1.756 7.356 5.682) 9.459 9.929 ( -13.178 1.574 -3.958) 13.849 10.227 ( 7.464 1.312 11.985) 14.180 10.358 ( -5.390 -13.088 0.713) 14.172 10.624 ( -6.994 -1.763 -0.186) 7.215 10.783 ( 7.181 4.369 0.387) 8.415 11.148 ( 1.329 -10.476 -1.934) 10.736 11.424 ( 10.053 3.303 -4.186) 11.380 11.644 ( 16.168 -5.909 2.537) 17.400 12.052 ( -19.597 5.966 -3.545) 20.790 12.163 ( 6.746 6.170 7.990) 12.142 12.725 ( 0.047 4.144 -13.941) 14.543 13.266 ( 0.565 -8.769 -5.163) 10.192 13.396 ( 6.282 -3.143 -1.284) 7.141 13.720 ( 12.729 -2.653 -7.381) 14.951 14.553 ( -4.368 1.150 -4.967) 6.713 14.881 ( -7.176 7.309 5.461) 11.608 15.313 ( -6.507 -7.054 -5.221) 10.925 15.424 ( -5.034 -1.780 -0.577) 5.370 15.550 ( 6.206 -5.168 -3.901) 8.969 15.609 ( 4.273 -4.664 3.388) 7.175 16.722 ( -2.331 1.904 9.752) 10.206 16.792 ( -4.834 3.545 -8.148) 10.116 17.897 ( -1.614 16.935 -0.972) 17.039 17.967 ( 3.017 9.345 4.456) 10.784 19.122 ( -6.899 -9.258 -13.679) 17.900 19.601 ( 12.721 -18.792 2.847) 22.871 21.028 ( -1.725 3.457 9.960) 10.683 21.280 ( 1.014 5.576 1.150) 5.784 ======================= Grid point 98 (85/160) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 35.257 0.000 -0.000) 35.257 1.717 ( 43.904 0.000 -0.000) 43.904 2.854 ( 70.117 0.000 -0.000) 70.117 4.243 ( 4.312 0.000 -0.000) 4.312 4.693 ( 3.081 0.000 -0.000) 3.081 5.454 ( -0.892 -0.000 0.000) 0.892 5.487 ( -4.264 -0.000 0.000) 4.264 5.670 ( -14.416 -0.000 0.000) 14.416 5.887 ( -9.345 -0.000 0.000) 9.345 6.140 ( 5.349 0.000 -0.000) 5.349 6.281 ( 8.695 0.000 -0.000) 8.695 7.378 ( 30.559 0.000 -0.000) 30.559 8.184 ( 5.179 0.000 -0.000) 5.179 8.969 ( 13.566 0.000 -0.000) 13.566 10.004 ( 7.290 0.000 -0.000) 7.290 10.210 ( 10.966 0.000 -0.000) 10.966 10.415 ( 17.867 0.000 -0.000) 17.867 10.483 ( 3.861 0.000 -0.000) 3.861 10.600 ( 9.949 0.000 -0.000) 9.949 11.154 ( 14.121 0.000 -0.000) 14.121 11.267 ( -21.447 -0.000 0.000) 21.447 11.295 ( -9.924 -0.000 0.000) 9.924 12.174 ( -4.445 -0.000 0.000) 4.445 12.525 ( -13.334 -0.000 0.000) 13.334 12.888 ( 4.670 0.000 -0.000) 4.670 12.967 ( 7.730 0.000 -0.000) 7.730 13.597 ( -1.348 -0.000 0.000) 1.348 13.630 ( 0.100 0.000 -0.000) 0.100 14.445 ( -5.545 -0.000 0.000) 5.545 14.531 ( 10.503 0.000 -0.000) 10.503 14.928 ( -2.067 -0.000 0.000) 2.067 15.454 ( -4.336 -0.000 0.000) 4.336 15.578 ( 5.032 0.000 -0.000) 5.032 15.672 ( -7.242 -0.000 0.000) 7.242 16.756 ( -2.149 -0.000 0.000) 2.149 17.367 ( 21.844 0.000 -0.000) 21.844 17.415 ( -3.224 -0.000 0.000) 3.224 17.988 ( -1.818 -0.000 0.000) 1.818 18.447 ( -2.818 -0.000 0.000) 2.818 20.462 ( -3.921 -0.000 0.000) 3.921 20.748 ( -1.847 -0.000 0.000) 1.847 21.173 ( 1.560 0.000 -0.000) 1.560 ======================= Grid point 99 (86/160) ======================= q-point: ( 0.39 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -17.030 26.337 6.595) 32.049 3.616 ( -4.280 31.581 -7.777) 32.805 3.977 ( -6.006 -4.826 -7.902) 11.037 4.712 ( -0.442 -1.187 -20.586) 20.625 5.228 ( -11.203 -1.462 -5.645) 12.629 5.519 ( -2.832 5.081 -5.206) 7.806 5.811 ( 1.005 -1.425 3.036) 3.501 5.910 ( 11.034 -1.881 9.522) 14.696 6.301 ( -5.066 -0.951 -7.883) 9.418 6.455 ( 0.621 34.270 14.986) 37.408 6.915 ( -6.418 8.091 14.736) 17.995 7.178 ( -0.996 9.117 -9.423) 13.149 7.774 ( 4.982 3.165 15.684) 16.758 9.456 ( -5.607 2.341 -4.121) 7.342 9.712 ( -8.100 -8.881 4.086) 12.696 10.112 ( 7.098 -13.184 -15.630) 21.644 10.423 ( -1.426 -4.570 -12.184) 13.091 10.674 ( 3.182 5.128 7.574) 9.684 11.010 ( -0.700 15.322 -0.561) 15.348 11.223 ( 2.835 -12.334 14.922) 19.566 11.385 ( -5.815 6.036 7.658) 11.353 11.823 ( -4.858 -17.482 9.516) 20.488 12.005 ( -7.583 1.967 -3.691) 8.660 12.192 ( 2.526 1.156 -4.490) 5.280 12.741 ( -4.351 18.430 -6.122) 19.902 13.332 ( 7.900 6.344 -2.460) 10.426 13.701 ( 16.430 -1.636 3.476) 16.873 14.014 ( -5.618 6.321 -11.770) 14.493 14.256 ( -5.532 -4.806 2.737) 7.822 14.969 ( -4.981 0.560 -9.230) 10.503 15.209 ( -4.804 -2.210 -6.553) 8.421 15.354 ( -1.776 -7.256 7.151) 10.341 15.620 ( -3.210 14.451 -15.419) 21.375 16.071 ( 2.442 2.107 -0.008) 3.225 16.391 ( -4.883 4.920 12.572) 14.357 16.482 ( -4.397 -4.087 6.228) 8.650 17.170 ( 2.902 -3.530 1.264) 4.741 17.266 ( 2.445 9.919 2.501) 10.518 19.705 ( -0.285 8.478 -1.407) 8.598 20.488 ( -1.829 2.088 -4.162) 5.002 20.899 ( 6.186 -10.010 6.181) 13.292 21.184 ( 5.019 -5.593 1.311) 7.628 ======================= Grid point 100 (87/160) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 12.135 0.000 -0.410) 12.142 3.528 ( 12.965 0.000 -14.950) 19.789 4.274 ( 4.837 0.000 -8.512) 9.790 4.358 ( 0.538 0.000 -10.677) 10.691 4.498 ( -1.014 0.000 -8.117) 8.180 5.250 ( 3.888 -0.000 3.704) 5.370 5.331 ( -0.592 -0.000 2.417) 2.488 5.783 ( 2.944 -0.000 2.852) 4.099 6.018 ( 1.836 0.000 -12.531) 12.665 6.640 ( -2.871 0.000 -1.283) 3.144 6.762 ( 16.715 -0.000 10.858) 19.932 8.570 ( -31.688 -0.000 4.474) 32.002 9.224 ( -2.552 -0.000 6.786) 7.250 9.531 ( 16.280 0.000 -0.817) 16.301 10.005 ( 6.956 -0.000 9.280) 11.598 10.258 ( -3.855 -0.000 2.502) 4.596 10.515 ( -11.890 0.000 -10.203) 15.668 10.607 ( -1.681 0.000 -9.352) 9.502 10.755 ( 6.385 0.000 -3.603) 7.331 10.907 ( -3.406 -0.000 0.031) 3.406 11.249 ( 11.050 0.000 -0.385) 11.056 11.394 ( 2.099 0.000 0.659) 2.200 12.089 ( 9.743 -0.000 17.170) 19.742 12.547 ( -21.042 -0.000 4.385) 21.494 12.867 ( -3.819 0.000 -21.222) 21.563 12.976 ( 13.568 0.000 2.849) 13.864 13.305 ( 1.618 -0.000 5.359) 5.598 13.405 ( 9.910 0.000 -14.396) 17.477 14.664 ( -2.874 0.000 -4.478) 5.321 15.087 ( -4.136 -0.000 1.441) 4.380 15.244 ( 1.512 0.000 -0.213) 1.526 15.317 ( 7.210 0.000 -0.969) 7.274 15.461 ( 4.768 -0.000 6.225) 7.842 15.570 ( -6.848 -0.000 -2.093) 7.161 16.757 ( 0.448 -0.000 4.730) 4.751 16.941 ( -5.701 0.000 -5.358) 7.823 18.014 ( 0.969 -0.000 4.816) 4.912 18.188 ( -2.670 0.000 -1.843) 3.245 18.936 ( 16.243 -0.000 10.342) 19.256 19.314 ( -9.101 0.000 -20.840) 22.740 21.121 ( -3.210 -0.000 10.340) 10.827 21.311 ( 1.684 -0.000 0.940) 1.928 ======================= Grid point 101 (88/160) ======================= q-point: ( 0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( 11.396 0.000 0.000) 11.396 3.884 ( 15.089 0.000 0.000) 15.089 3.920 ( 21.225 -0.000 -0.000) 21.225 4.203 ( 12.480 -0.000 -0.000) 12.480 5.204 ( -5.823 -0.000 -0.000) 5.823 5.335 ( 9.389 -0.000 -0.000) 9.389 5.764 ( -3.039 -0.000 -0.000) 3.039 6.032 ( -6.078 -0.000 -0.000) 6.078 6.291 ( -11.321 -0.000 -0.000) 11.321 6.704 ( -6.650 -0.000 0.000) 6.650 7.092 ( 22.700 0.000 0.000) 22.700 7.485 ( 4.966 -0.000 -0.000) 4.966 7.911 ( -9.456 -0.000 0.000) 9.456 9.510 ( -2.626 -0.000 -0.000) 2.626 9.603 ( 8.684 -0.000 -0.000) 8.684 10.096 ( 11.094 -0.000 0.000) 11.094 10.555 ( 22.339 -0.000 -0.000) 22.339 10.640 ( 1.546 -0.000 0.000) 1.546 11.133 ( -10.560 -0.000 0.000) 10.560 11.308 ( -15.571 -0.000 0.000) 15.571 11.647 ( 0.472 -0.000 0.000) 0.472 11.841 ( 1.146 0.000 -0.000) 1.146 11.931 ( -4.869 -0.000 -0.000) 4.869 12.325 ( -0.997 0.000 -0.000) 0.997 12.680 ( 12.754 -0.000 0.000) 12.754 12.961 ( -6.848 -0.000 -0.000) 6.848 13.500 ( -13.626 -0.000 -0.000) 13.626 13.929 ( 14.581 -0.000 -0.000) 14.581 14.522 ( -8.638 -0.000 -0.000) 8.638 14.648 ( 9.529 -0.000 0.000) 9.529 15.205 ( 11.215 -0.000 -0.000) 11.215 15.450 ( 11.107 -0.000 -0.000) 11.107 15.538 ( 2.023 0.000 -0.000) 2.023 16.002 ( -4.027 -0.000 -0.000) 4.027 16.623 ( 0.125 -0.000 -0.000) 0.125 16.818 ( 7.948 -0.000 -0.000) 7.948 17.192 ( -2.497 0.000 -0.000) 2.497 17.220 ( -7.332 -0.000 0.000) 7.332 19.713 ( 3.533 -0.000 -0.000) 3.533 20.441 ( 3.447 -0.000 -0.000) 3.447 20.912 ( -13.884 0.000 -0.000) 13.884 21.082 ( -4.590 -0.000 -0.000) 4.590 ======================= Grid point 103 (89/160) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -7.482 0.000 -39.806) 40.504 1.925 ( -9.464 0.000 -39.378) 40.499 3.222 ( -36.551 0.000 -55.869) 66.763 4.309 ( 3.857 0.000 -6.757) 7.781 4.709 ( -1.458 0.000 -1.007) 1.772 5.309 ( 6.829 -0.000 8.046) 10.554 5.556 ( -1.174 0.000 -4.543) 4.693 5.726 ( -17.565 -0.000 8.620) 19.566 5.967 ( 11.141 0.000 -3.102) 11.564 5.984 ( 6.190 0.000 0.306) 6.198 6.282 ( -1.058 0.000 -6.166) 6.256 6.902 ( -18.096 0.000 -10.418) 20.880 8.650 ( -0.399 0.000 -15.126) 15.132 8.810 ( -12.023 -0.000 -3.008) 12.394 9.915 ( -4.123 -0.000 -1.092) 4.265 10.295 ( -8.870 -0.000 0.196) 8.872 10.344 ( -6.416 0.000 -9.013) 11.064 10.738 ( -5.245 0.000 -27.314) 27.813 10.863 ( 4.111 0.000 0.174) 4.115 11.053 ( -1.935 0.000 -1.728) 2.595 11.108 ( -4.715 0.000 -18.623) 19.210 11.416 ( 12.034 -0.000 13.491) 18.078 12.278 ( 6.267 -0.000 18.684) 19.707 12.293 ( 3.402 -0.000 7.294) 8.048 12.966 ( -0.959 0.000 -7.723) 7.782 13.118 ( 17.822 0.000 -4.856) 18.472 13.659 ( -4.812 0.000 -7.550) 8.953 13.675 ( -0.794 0.000 -1.689) 1.866 14.112 ( -8.945 -0.000 10.604) 13.873 14.436 ( -16.389 -0.000 -2.531) 16.584 15.166 ( 5.086 0.000 -7.064) 8.704 15.267 ( 3.290 0.000 -2.628) 4.210 15.413 ( -0.221 -0.000 3.921) 3.927 15.903 ( 6.601 0.000 2.746) 7.149 16.427 ( -11.378 -0.000 4.169) 12.118 16.864 ( -6.446 -0.000 1.796) 6.691 17.897 ( -4.345 0.000 -17.473) 18.005 18.025 ( 0.434 0.000 -0.537) 0.691 18.439 ( 1.851 -0.000 3.251) 3.741 20.130 ( 6.647 -0.000 6.810) 9.516 21.188 ( -0.463 0.000 -0.451) 0.646 21.477 ( 6.819 0.000 -0.662) 6.851 ======================= Grid point 109 (90/160) ======================= q-point: ( 0.51 -0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.892 ( -12.673 17.573 2.503) 21.810 3.988 ( -5.354 -2.626 -17.173) 18.179 4.249 ( -6.361 12.689 -4.449) 14.876 4.756 ( -1.823 2.554 -7.480) 8.111 5.221 ( 3.726 -7.185 -8.457) 11.706 5.500 ( 7.682 -3.023 -6.473) 10.490 5.642 ( 4.648 -4.190 7.239) 9.569 5.954 ( -11.569 -0.836 3.838) 12.217 6.163 ( -4.009 -8.438 -4.518) 10.377 6.890 ( 7.978 -7.885 11.047) 15.743 7.212 ( 8.956 10.067 -10.248) 16.928 7.309 ( -17.792 16.544 -0.991) 24.316 8.056 ( -5.333 18.000 6.547) 19.883 9.599 ( -5.000 -2.997 -4.949) 7.646 9.673 ( -2.125 -2.550 -6.986) 7.735 9.921 ( -12.879 -0.346 4.604) 13.681 10.345 ( 5.211 -3.074 3.176) 6.833 10.622 ( 8.543 2.662 14.257) 16.833 11.021 ( 9.343 7.705 9.394) 15.327 11.166 ( 0.716 -21.216 3.006) 21.440 11.474 ( -11.026 9.338 -10.098) 17.628 11.811 ( -8.870 -4.509 5.193) 11.224 12.088 ( -7.523 -7.094 -5.169) 11.560 12.181 ( 4.994 4.783 -3.848) 7.913 13.004 ( 13.948 -0.136 -7.699) 15.932 13.278 ( 11.980 2.391 4.830) 13.137 13.548 ( -9.577 16.701 -5.104) 19.917 14.149 ( -0.041 -6.747 -7.708) 10.244 14.316 ( -2.304 3.881 1.383) 4.721 14.820 ( 3.473 -8.637 -2.106) 9.544 15.300 ( -10.382 -2.246 -2.778) 10.980 15.496 ( -12.724 -0.373 -1.716) 12.845 15.905 ( -1.080 4.568 -12.079) 12.959 15.999 ( 4.101 -4.945 -2.713) 6.973 16.399 ( -3.359 -1.370 8.259) 9.020 16.630 ( -4.044 2.156 5.305) 7.010 17.127 ( 3.654 10.148 3.776) 11.428 17.483 ( 2.905 13.683 1.064) 14.029 19.734 ( -2.459 -5.917 -7.852) 10.135 20.447 ( 11.671 -13.208 9.477) 20.011 20.697 ( -1.966 8.187 -4.849) 9.716 21.006 ( 3.390 -1.878 5.999) 7.142 ======================= Grid point 111 (91/160) ======================= q-point: ( 0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -0.000 34.500 0.000) 34.500 1.963 ( -0.000 44.757 0.000) 44.757 3.249 ( -0.000 71.379 0.000) 71.379 4.142 ( 0.000 -1.686 -0.000) 1.686 4.964 ( -0.000 5.873 0.000) 5.873 5.284 ( 0.000 -3.847 -0.000) 3.847 5.878 ( 0.000 -5.462 -0.000) 5.462 5.891 ( -0.000 6.791 0.000) 6.791 6.063 ( -0.000 2.009 0.000) 2.009 6.073 ( -0.000 2.494 0.000) 2.494 6.285 ( -0.000 19.874 0.000) 19.874 6.405 ( -0.000 1.867 0.000) 1.867 7.959 ( 0.000 -6.591 -0.000) 6.591 9.024 ( -0.000 13.881 0.000) 13.881 9.983 ( 0.000 -6.691 -0.000) 6.691 10.211 ( -0.000 9.134 0.000) 9.134 10.258 ( -0.000 11.190 0.000) 11.190 10.454 ( -0.000 12.182 0.000) 12.182 10.587 ( -0.000 9.149 0.000) 9.149 11.195 ( -0.000 13.200 0.000) 13.200 11.413 ( 0.000 -13.013 -0.000) 13.013 12.098 ( 0.000 -27.851 -0.000) 27.851 12.262 ( 0.000 -0.659 -0.000) 0.659 12.462 ( 0.000 -12.666 -0.000) 12.666 12.531 ( -0.000 0.020 0.000) 0.020 13.352 ( 0.000 -0.493 -0.000) 0.493 13.502 ( -0.000 6.036 0.000) 6.036 13.616 ( -0.000 11.387 0.000) 11.387 14.585 ( -0.000 10.041 0.000) 10.041 14.721 ( 0.000 -8.023 -0.000) 8.023 15.267 ( -0.000 12.299 0.000) 12.299 15.297 ( -0.000 13.448 0.000) 13.448 15.448 ( 0.000 -4.123 -0.000) 4.123 15.718 ( 0.000 -5.637 -0.000) 5.637 16.171 ( 0.000 -1.199 -0.000) 1.199 16.619 ( 0.000 -4.181 -0.000) 4.181 16.932 ( -0.000 2.729 0.000) 2.729 17.420 ( 0.000 -3.461 -0.000) 3.461 18.957 ( -0.000 18.686 0.000) 18.686 20.664 ( 0.000 -4.952 -0.000) 4.952 21.121 ( 0.000 -1.629 -0.000) 1.629 21.556 ( 0.000 -5.710 -0.000) 5.710 ======================= Grid point 112 (92/160) ======================= q-point: (-0.37 -0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 3.951 -7.174 -15.091) 17.170 4.303 ( -0.770 -4.603 -6.892) 8.324 4.318 ( 2.940 3.561 -0.301) 4.628 4.711 ( 4.457 -2.205 4.235) 6.531 5.021 ( -1.845 -8.899 -14.830) 17.393 5.390 ( 5.544 -1.874 -4.714) 7.515 5.483 ( 5.306 5.546 2.262) 8.002 5.679 ( 2.162 -15.121 6.532) 16.613 6.433 ( -5.660 -5.484 -4.699) 9.176 6.568 ( -0.289 -0.086 2.282) 2.302 7.064 ( 20.923 2.703 -10.287) 23.472 7.902 ( -21.402 3.396 3.973) 22.031 8.591 ( -14.080 14.233 2.369) 20.160 9.551 ( 3.819 2.721 -4.808) 6.716 9.903 ( -6.867 6.830 -0.214) 9.688 10.038 ( 3.901 -2.596 5.395) 7.146 10.455 ( -18.070 7.384 8.001) 21.096 10.562 ( 3.562 4.710 5.898) 8.346 10.717 ( 0.319 -15.506 4.262) 16.085 11.062 ( 10.562 11.720 4.795) 16.489 11.571 ( 6.036 -5.181 -5.363) 9.594 11.886 ( 9.476 -13.859 -2.030) 16.911 12.029 ( -7.760 3.136 -1.428) 8.491 12.072 ( -6.490 -7.927 -1.502) 10.354 12.826 ( 3.674 8.163 -10.870) 14.081 13.220 ( 5.838 3.961 2.704) 7.556 13.729 ( 15.914 -13.765 1.366) 21.086 14.031 ( -5.765 4.086 -17.579) 18.946 14.454 ( -1.760 5.257 2.963) 6.286 14.696 ( -5.133 0.590 4.113) 6.604 15.494 ( -11.774 -2.674 -2.978) 12.436 15.580 ( -5.093 -9.499 -1.832) 10.933 15.697 ( 8.525 -7.192 -1.497) 11.254 15.817 ( 4.899 -9.015 -4.537) 11.219 16.479 ( -3.893 1.403 8.711) 9.644 16.808 ( -3.637 8.283 -4.679) 10.185 17.447 ( 0.551 21.059 3.025) 21.282 17.696 ( 2.831 11.096 2.313) 11.683 19.584 ( 1.608 -12.530 -9.848) 16.018 19.952 ( 4.685 -13.464 2.711) 14.511 20.769 ( 1.048 0.682 6.549) 6.667 21.090 ( -0.692 8.577 2.492) 8.958 ======================= Grid point 114 (93/160) ======================= q-point: ( 0.13 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 25.641 19.624 5.429) 32.741 3.454 ( 16.563 24.127 19.185) 34.993 4.314 ( 2.646 4.155 -0.665) 4.971 4.730 ( 2.863 -2.640 -0.647) 3.947 5.015 ( -4.428 8.834 -12.875) 16.230 5.254 ( 18.311 11.745 7.699) 23.076 5.403 ( -9.732 5.531 -1.254) 11.264 5.735 ( -2.218 1.626 0.831) 2.873 5.918 ( -5.235 4.719 0.530) 7.068 6.131 ( 5.931 9.346 8.675) 14.064 6.936 ( 0.029 4.053 7.359) 8.401 7.701 ( 43.893 -3.277 -1.043) 44.028 8.407 ( 5.028 -15.934 16.969) 23.814 9.540 ( 7.993 1.583 5.129) 9.628 10.212 ( -12.384 -8.893 -12.421) 19.665 10.358 ( 0.562 1.175 3.944) 4.154 10.566 ( 1.993 -2.435 11.397) 11.823 10.676 ( -5.360 -0.909 5.843) 7.981 10.805 ( -6.678 -4.161 -4.445) 9.037 11.028 ( 6.731 8.697 -6.608) 12.830 11.479 ( 2.510 7.519 -3.926) 8.846 11.706 ( -0.442 4.880 -1.769) 5.209 12.049 ( -14.292 14.223 -1.462) 20.216 12.287 ( 14.207 1.190 0.297) 14.259 12.612 ( 1.810 -4.372 -8.664) 9.872 12.789 ( 2.326 -4.682 10.523) 11.750 13.427 ( -9.680 -2.887 1.349) 10.191 13.934 ( 0.712 10.355 -2.505) 10.678 14.469 ( 3.991 -1.486 -1.744) 4.602 14.968 ( 3.395 -1.010 -5.692) 6.704 15.127 ( 10.181 5.939 3.287) 12.236 15.417 ( 2.926 3.410 1.561) 4.756 15.656 ( -0.899 10.757 1.137) 10.854 15.760 ( 0.902 1.334 0.430) 1.667 16.671 ( 2.107 0.782 -1.729) 2.836 16.926 ( 1.251 -6.186 -5.221) 8.191 17.360 ( 0.933 -18.061 5.901) 19.023 17.615 ( 2.334 -15.044 6.847) 16.693 19.126 ( 6.977 20.133 3.392) 21.576 20.270 ( -14.049 15.563 -7.027) 22.112 20.925 ( -2.239 -12.449 4.366) 13.381 21.180 ( -1.052 -4.087 1.019) 4.341 ======================= Grid point 115 (94/160) ======================= q-point: (-0.37 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.000 -10.801 -29.008) 30.954 2.887 ( 0.000 -12.178 -34.644) 36.722 4.125 ( -0.000 15.293 -0.352) 15.297 4.554 ( -0.000 14.493 -1.926) 14.621 4.970 ( 0.000 -28.276 -20.792) 35.097 5.105 ( -0.000 6.023 0.948) 6.097 5.563 ( 0.000 -2.182 -8.618) 8.890 5.878 ( 0.000 -21.697 2.800) 21.877 6.116 ( 0.000 -4.991 -6.179) 7.943 6.127 ( 0.000 -1.939 0.196) 1.949 7.006 ( 0.000 -10.916 -16.504) 19.787 7.061 ( 0.000 -5.418 -13.600) 14.639 8.575 ( -0.000 11.968 -1.308) 12.039 8.989 ( 0.000 -8.684 -1.305) 8.781 9.861 ( -0.000 5.246 7.570) 9.210 10.159 ( 0.000 0.386 -2.687) 2.715 10.538 ( -0.000 24.566 21.937) 32.935 10.797 ( 0.000 8.702 -13.644) 16.183 10.830 ( -0.000 -17.871 7.656) 19.442 11.081 ( 0.000 -12.605 -11.696) 17.195 11.489 ( 0.000 -9.827 -10.716) 14.539 11.793 ( -0.000 1.033 13.802) 13.841 12.087 ( 0.000 -3.415 -17.957) 18.278 12.102 ( -0.000 1.631 11.542) 11.656 12.951 ( 0.000 11.249 -13.513) 17.582 13.327 ( 0.000 2.402 -1.489) 2.826 13.483 ( 0.000 2.799 -3.687) 4.630 13.885 ( -0.000 -8.575 13.978) 16.398 14.021 ( 0.000 -3.480 -16.043) 16.416 14.639 ( 0.000 -6.298 -7.488) 9.784 15.053 ( -0.000 7.230 9.982) 12.326 15.234 ( 0.000 0.881 -5.595) 5.664 15.658 ( -0.000 -1.382 0.588) 1.502 16.002 ( -0.000 -3.220 2.243) 3.925 16.368 ( 0.000 -4.458 -8.649) 9.731 16.690 ( -0.000 2.420 4.212) 4.858 17.461 ( -0.000 13.720 -4.122) 14.325 17.752 ( 0.000 11.963 -6.139) 13.446 19.043 ( 0.000 -19.117 -4.437) 19.625 20.554 ( -0.000 -7.918 3.352) 8.598 21.133 ( -0.000 2.155 8.566) 8.833 21.239 ( -0.000 3.875 1.670) 4.219 ======================= Grid point 118 (95/160) ======================= q-point: (-0.26 -0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -1.089 -2.699 -36.645) 36.761 2.903 ( -13.979 -13.148 -32.445) 37.695 4.373 ( 2.172 6.686 -9.035) 11.447 4.501 ( -12.055 -17.063 -34.761) 40.556 4.739 ( -0.636 0.304 -0.965) 1.195 5.212 ( 3.570 -0.221 -1.187) 3.769 5.574 ( -7.706 -0.795 0.145) 7.748 5.660 ( -3.244 -0.148 -2.561) 4.136 5.970 ( 3.212 0.949 -0.507) 3.388 6.114 ( -1.229 -6.500 -5.206) 8.419 6.584 ( 9.142 -10.470 -12.072) 18.410 7.160 ( -9.847 0.682 -13.411) 16.652 8.758 ( -1.405 7.753 -6.453) 10.185 8.985 ( -14.432 -6.862 -2.906) 16.242 10.036 ( -4.094 -4.326 1.806) 6.224 10.152 ( -8.742 3.156 3.706) 10.006 10.535 ( -0.212 -8.606 7.421) 11.366 10.846 ( 5.084 0.852 -3.108) 6.019 10.920 ( 3.377 9.760 12.196) 15.982 11.062 ( -2.797 2.908 -5.561) 6.871 11.314 ( -0.454 -2.764 -22.830) 23.001 11.775 ( -0.400 -0.312 6.442) 6.462 11.931 ( 3.672 -7.180 -11.403) 13.966 12.141 ( -0.703 -0.408 6.047) 6.101 13.098 ( 19.343 4.635 -2.989) 20.114 13.115 ( 3.524 4.698 -10.884) 12.367 13.699 ( 3.547 -0.932 7.807) 8.625 13.707 ( -6.819 0.741 -1.964) 7.135 14.119 ( -10.719 -3.594 -9.948) 15.059 14.606 ( -12.434 -5.034 -7.244) 15.246 15.100 ( 6.109 5.393 4.798) 9.456 15.303 ( -2.194 1.000 0.214) 2.420 15.548 ( 0.579 -7.002 -4.706) 8.456 15.864 ( 5.875 -2.291 1.881) 6.580 16.424 ( -7.354 0.290 -5.255) 9.043 16.772 ( -3.538 1.847 5.567) 6.850 17.814 ( -0.776 17.013 -3.147) 17.319 18.018 ( -0.519 13.407 -7.887) 15.564 18.663 ( -1.370 -17.764 -5.479) 18.641 20.194 ( 7.115 -16.639 8.422) 19.960 21.146 ( 0.048 0.678 4.927) 4.974 21.364 ( 2.232 7.261 1.961) 7.846 ======================= Grid point 119 (96/160) ======================= q-point: ( 0.24 -0.58 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( -14.585 17.040 -0.684) 22.440 4.111 ( -10.532 9.989 -10.461) 17.892 4.466 ( -0.818 6.453 -3.578) 7.424 4.718 ( -4.220 -5.650 -2.911) 7.629 5.076 ( 4.137 8.643 12.144) 15.470 5.404 ( 3.023 1.854 2.086) 4.114 5.512 ( 11.615 4.211 1.037) 12.398 5.714 ( -8.885 -2.687 16.919) 19.298 6.038 ( -1.911 9.930 -0.387) 10.120 6.448 ( -4.804 0.159 -1.303) 4.980 7.030 ( 3.495 17.186 -7.682) 19.146 8.056 ( -2.185 -23.934 -13.835) 27.731 8.636 ( -47.374 5.269 -2.461) 47.730 9.602 ( 1.067 0.851 3.489) 3.746 9.686 ( 22.227 -7.363 0.885) 23.432 10.089 ( 23.018 -11.322 7.618) 26.759 10.457 ( 0.712 2.229 -6.174) 6.603 10.602 ( -5.241 -5.936 -14.082) 16.155 10.779 ( -12.094 1.668 -9.711) 15.600 11.278 ( 11.031 -0.691 0.896) 11.089 11.607 ( 1.374 11.983 4.901) 13.019 11.821 ( -10.851 5.107 3.666) 12.541 12.124 ( 7.705 -4.602 12.202) 15.147 12.358 ( -1.298 -0.739 3.022) 3.371 12.493 ( 4.568 8.946 3.227) 10.551 13.036 ( -6.097 -5.427 -2.109) 8.431 13.421 ( -12.618 10.526 -7.083) 17.894 14.090 ( 10.505 2.911 6.919) 12.912 14.403 ( -4.231 0.155 -0.359) 4.249 14.887 ( 4.410 -8.189 2.910) 9.746 15.477 ( -8.840 9.412 1.056) 12.956 15.651 ( -7.787 7.321 -0.334) 10.693 15.781 ( 3.368 5.816 3.599) 7.624 15.900 ( -2.934 1.952 1.150) 3.707 16.706 ( 4.212 4.336 0.926) 6.115 16.794 ( 1.033 -4.871 0.335) 4.991 17.035 ( -0.698 -11.746 -3.872) 12.387 17.324 ( -2.000 -15.887 -5.157) 16.822 19.675 ( -7.715 17.349 -2.379) 19.136 20.273 ( 11.738 5.242 0.226) 12.857 20.699 ( -2.249 -4.795 -0.905) 5.373 21.018 ( 2.311 -8.013 -0.640) 8.364 ======================= Grid point 121 (97/160) ======================= q-point: ( 0.24 -0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -25.463 28.719 0.000) 38.382 2.946 ( -7.519 38.647 0.000) 39.371 4.126 ( -4.157 -2.653 0.000) 4.931 4.649 ( -4.612 40.617 0.000) 40.878 5.075 ( 3.327 19.166 0.000) 19.452 5.411 ( -20.314 -2.191 0.000) 20.432 5.700 ( 4.483 -4.113 -0.000) 6.084 5.893 ( 5.201 4.197 -0.000) 6.684 5.943 ( 7.576 -1.936 -0.000) 7.820 6.402 ( -12.825 9.564 0.000) 15.999 6.534 ( -6.521 -0.212 0.000) 6.525 6.841 ( -1.070 29.011 0.000) 29.030 7.705 ( 5.644 -11.767 -0.000) 13.051 9.340 ( -3.016 10.547 0.000) 10.970 9.917 ( -12.299 -12.646 0.000) 17.640 10.243 ( 8.606 9.314 -0.000) 12.681 10.467 ( 7.636 3.077 -0.000) 8.232 10.762 ( -13.169 6.109 0.000) 14.517 10.907 ( -3.822 6.805 0.000) 7.805 11.067 ( 2.816 -7.581 -0.000) 8.087 11.457 ( -1.419 -22.711 -0.000) 22.756 11.727 ( -7.394 21.916 0.000) 23.129 12.114 ( 3.362 -12.581 -0.000) 13.022 12.276 ( -2.949 -5.875 -0.000) 6.574 12.584 ( -3.745 3.657 0.000) 5.234 13.207 ( 13.339 7.657 -0.000) 15.381 13.637 ( 2.578 2.997 0.000) 3.954 13.934 ( -5.122 9.605 0.000) 10.885 14.408 ( 6.788 -8.654 -0.000) 10.999 14.934 ( -12.019 10.712 0.000) 16.100 15.360 ( 0.416 -4.292 -0.000) 4.313 15.473 ( 2.429 -6.693 -0.000) 7.120 15.619 ( -4.665 12.480 0.000) 13.323 15.684 ( -1.724 13.175 0.000) 13.287 16.237 ( -9.423 -3.798 0.000) 10.160 16.576 ( -6.438 -7.552 -0.000) 9.923 17.023 ( 1.959 7.480 0.000) 7.733 17.291 ( 2.905 -6.258 -0.000) 6.900 19.378 ( -0.407 19.610 0.000) 19.614 20.567 ( -1.018 -4.018 -0.000) 4.145 21.013 ( 4.933 -6.221 -0.000) 7.939 21.307 ( 8.937 -5.281 -0.000) 10.381 ======================= Grid point 122 (98/160) ======================= q-point: (-0.26 0.42 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 19.826 -16.088 2.154) 25.622 3.856 ( 26.245 -3.921 -10.770) 28.638 4.418 ( 2.974 3.703 -8.966) 10.147 4.670 ( -6.039 -3.517 -6.995) 9.888 4.834 ( -3.403 -10.589 -13.279) 17.321 5.281 ( 4.710 -10.003 5.565) 12.378 5.293 ( -3.730 -3.491 2.004) 5.488 5.621 ( 3.534 6.107 4.302) 8.264 6.298 ( 3.205 -1.981 -7.283) 8.200 6.524 ( 36.206 -1.176 1.547) 36.258 6.671 ( -3.801 -0.981 2.267) 4.533 8.296 ( -10.765 4.410 16.669) 20.327 9.171 ( -16.159 4.079 -7.355) 18.216 9.457 ( 7.055 4.576 3.163) 8.984 9.765 ( 10.910 2.969 7.968) 13.832 10.329 ( -5.595 -3.979 -2.538) 7.319 10.487 ( 1.526 5.318 -0.809) 5.592 10.714 ( -10.360 8.512 -5.154) 14.365 10.978 ( -9.136 4.664 -2.171) 10.485 11.107 ( 2.867 -4.786 -0.912) 5.653 11.227 ( 8.395 -13.202 -0.190) 15.646 11.353 ( 4.992 -0.965 -0.555) 5.115 11.823 ( 8.946 -5.464 9.193) 13.942 12.447 ( -19.967 1.131 1.437) 20.051 13.010 ( 6.245 0.125 -5.448) 8.289 13.105 ( 16.653 1.540 -4.450) 17.306 13.198 ( 3.911 2.063 2.627) 5.144 13.856 ( 5.493 -11.567 -13.404) 18.537 14.689 ( -3.634 6.733 -2.298) 7.989 14.958 ( -9.993 5.213 3.714) 11.867 15.300 ( 10.020 -6.122 1.594) 11.850 15.400 ( 2.104 -8.701 1.045) 9.013 15.472 ( 7.944 -10.249 1.526) 13.057 15.659 ( -5.182 -0.933 -4.638) 7.017 16.586 ( -3.889 1.183 8.037) 9.006 17.044 ( -4.066 5.670 -7.469) 10.221 17.834 ( 2.062 9.381 2.714) 9.981 17.913 ( -0.144 19.489 1.868) 19.578 19.046 ( 14.048 -19.606 3.634) 24.392 19.830 ( -8.255 -5.744 -18.303) 20.884 20.816 ( -2.537 2.232 14.508) 14.896 21.237 ( 0.782 4.530 1.220) 4.756 ======================= Grid point 124 (99/160) ======================= q-point: ( 0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( -21.482 20.865 0.000) 29.947 3.801 ( -6.020 28.443 0.000) 29.073 4.211 ( -7.994 -0.462 0.000) 8.008 4.783 ( 9.195 1.624 -0.000) 9.337 5.479 ( -0.017 -0.653 -0.000) 0.653 5.559 ( 4.609 -3.322 -0.000) 5.682 5.728 ( 3.052 -5.486 -0.000) 6.278 5.886 ( -20.900 1.426 0.000) 20.949 6.264 ( 0.360 19.749 0.000) 19.752 6.661 ( -9.549 14.590 0.000) 17.437 6.817 ( -7.898 4.248 0.000) 8.968 7.320 ( 9.425 -6.944 -0.000) 11.707 7.520 ( -11.394 24.465 0.000) 26.989 9.545 ( -2.525 5.112 0.000) 5.702 9.919 ( -15.346 -9.865 0.000) 18.243 10.265 ( 8.188 -11.516 -0.000) 14.130 10.284 ( 6.621 8.068 0.000) 10.437 10.466 ( 10.177 -13.887 -0.000) 17.216 10.753 ( 11.708 1.690 -0.000) 11.830 11.390 ( -4.723 2.224 0.000) 5.221 11.531 ( -18.525 2.734 0.000) 18.726 11.759 ( -2.871 -10.879 -0.000) 11.251 12.211 ( 0.447 -2.844 -0.000) 2.879 12.231 ( -10.051 3.498 0.000) 10.643 12.883 ( -3.082 14.572 0.000) 14.894 13.234 ( 3.772 14.971 0.000) 15.438 13.327 ( 17.457 -9.120 -0.000) 19.696 14.226 ( -5.714 8.424 0.000) 10.179 14.290 ( -0.822 -4.318 -0.000) 4.396 15.108 ( 5.153 -13.489 -0.000) 14.440 15.372 ( -4.993 -1.179 0.000) 5.130 15.430 ( -16.891 7.758 0.000) 18.587 15.916 ( -1.104 9.657 0.000) 9.720 16.016 ( -0.016 10.525 0.000) 10.525 16.349 ( -9.588 -2.902 0.000) 10.017 16.511 ( -5.733 -7.556 -0.000) 9.484 17.063 ( 6.545 -5.330 -0.000) 8.441 17.181 ( 4.025 12.963 0.000) 13.574 19.729 ( -1.156 10.863 0.000) 10.925 20.597 ( -3.583 3.956 0.000) 5.337 20.633 ( 12.957 -11.907 -0.000) 17.597 21.064 ( 5.442 -5.944 -0.000) 8.059 ======================= Grid point 125 (100/160) ======================= q-point: (-0.14 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 28.813 0.000 8.230) 29.965 3.199 ( 35.846 0.000 -6.895) 36.503 4.354 ( 5.619 0.000 -8.328) 10.046 4.771 ( -1.181 0.000 -8.361) 8.444 4.789 ( -6.711 0.000 -8.913) 11.157 5.171 ( -7.134 -0.000 4.488) 8.428 5.303 ( 9.493 0.000 -2.152) 9.733 5.591 ( 4.408 -0.000 6.670) 7.995 5.774 ( 26.623 -0.000 12.498) 29.411 6.235 ( 3.881 0.000 -12.302) 12.900 6.682 ( 1.498 -0.000 11.779) 11.874 8.464 ( -1.176 -0.000 16.756) 16.798 8.815 ( 38.190 0.000 -3.762) 38.375 9.571 ( 13.284 -0.000 7.677) 15.343 9.996 ( -34.875 -0.000 -5.803) 35.354 10.270 ( 3.064 0.000 0.134) 3.067 10.625 ( 2.955 0.000 0.970) 3.111 10.649 ( 1.563 0.000 -1.428) 2.117 10.874 ( 16.030 0.000 5.278) 16.877 10.911 ( 0.489 0.000 -12.142) 12.152 11.388 ( 12.784 -0.000 12.419) 17.823 11.392 ( -19.814 -0.000 -7.546) 21.202 11.728 ( -14.202 -0.000 -1.288) 14.261 12.472 ( 25.005 0.000 2.225) 25.103 12.797 ( -12.788 -0.000 2.172) 12.972 13.178 ( 4.869 0.000 -9.028) 10.257 13.232 ( -5.221 -0.000 3.774) 6.442 13.610 ( 0.544 0.000 -7.628) 7.647 14.733 ( 7.519 0.000 -5.789) 9.489 15.043 ( 6.981 0.000 0.996) 7.052 15.058 ( 11.660 -0.000 5.327) 12.820 15.260 ( -4.322 -0.000 1.262) 4.502 15.339 ( -5.168 -0.000 2.728) 5.844 15.704 ( -1.064 0.000 -2.040) 2.301 16.666 ( -3.084 -0.000 4.982) 5.859 17.174 ( -3.328 0.000 -7.722) 8.409 17.937 ( -1.278 -0.000 2.542) 2.845 18.295 ( -3.964 -0.000 -1.507) 4.241 18.360 ( 21.249 -0.000 9.152) 23.136 19.925 ( -8.178 0.000 -20.988) 22.524 20.914 ( -3.997 -0.000 16.583) 17.058 21.255 ( 1.685 -0.000 1.266) 2.108 ======================= Grid point 127 (101/160) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -10.977 0.000 -34.538) 36.240 2.819 ( -8.882 0.000 -30.536) 31.802 4.345 ( 6.718 0.000 -7.606) 10.148 4.669 ( 3.796 -0.000 2.790) 4.711 4.686 ( -12.254 0.000 -13.905) 18.534 5.089 ( -0.866 0.000 -18.441) 18.461 5.647 ( 3.866 -0.000 1.832) 4.278 5.713 ( 0.523 -0.000 7.478) 7.496 5.812 ( 10.453 0.000 -9.478) 14.111 6.136 ( -0.630 0.000 -14.301) 14.315 6.616 ( -30.688 -0.000 -1.609) 30.730 7.395 ( -10.992 0.000 -7.183) 13.131 8.945 ( -6.223 0.000 -9.056) 10.988 9.252 ( -22.169 -0.000 -7.983) 23.563 10.044 ( -6.826 -0.000 -1.031) 6.904 10.395 ( 5.318 -0.000 17.370) 18.166 10.426 ( -6.647 -0.000 5.236) 8.462 10.749 ( 5.047 0.000 -9.625) 10.868 10.847 ( 10.607 -0.000 11.737) 15.820 11.024 ( 1.223 0.000 -2.345) 2.645 11.473 ( -1.995 0.000 -21.145) 21.239 11.767 ( -3.617 0.000 -20.305) 20.624 11.823 ( -3.376 -0.000 13.897) 14.301 12.086 ( 4.639 0.000 -1.907) 5.015 12.830 ( 13.248 0.000 4.623) 14.031 13.076 ( 4.261 0.000 -6.518) 7.787 13.626 ( 6.915 -0.000 5.356) 8.747 13.733 ( 1.928 0.000 -3.398) 3.907 14.252 ( -10.134 0.000 -6.561) 12.072 14.870 ( -16.193 -0.000 -6.662) 17.510 15.078 ( 4.476 -0.000 3.235) 5.522 15.324 ( -2.600 0.000 -1.487) 2.995 15.444 ( 1.991 0.000 -6.069) 6.387 15.738 ( 4.471 -0.000 3.722) 5.817 16.579 ( -7.456 -0.000 -2.701) 7.930 16.866 ( -3.495 -0.000 6.993) 7.817 18.041 ( -0.244 0.000 -1.274) 1.297 18.291 ( 3.031 -0.000 6.362) 7.047 18.424 ( -9.173 0.000 -20.841) 22.771 19.783 ( 12.659 -0.000 8.597) 15.303 21.173 ( -1.545 -0.000 4.279) 4.550 21.398 ( 2.710 0.000 0.236) 2.721 ======================= Grid point 128 (102/160) ======================= q-point: (-0.64 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( 10.577 -3.113 0.121) 11.026 4.188 ( -1.080 -4.118 -4.326) 6.070 4.488 ( 13.859 3.903 -7.390) 16.184 4.697 ( -6.188 -4.913 -4.290) 8.991 5.184 ( 6.008 1.798 7.095) 9.469 5.312 ( -6.159 4.968 2.072) 8.180 5.578 ( 2.908 2.671 8.300) 9.191 5.730 ( -10.891 -4.433 10.798) 15.965 6.257 ( 4.748 -10.001 4.867) 12.093 6.375 ( -7.742 4.660 6.192) 10.954 7.488 ( 3.198 5.050 -11.412) 12.883 7.546 ( -3.289 -5.466 -10.917) 12.644 8.785 ( 48.130 -7.471 -0.215) 48.707 9.490 ( -16.083 9.880 1.986) 18.980 9.666 ( 3.013 -4.507 3.732) 6.581 9.908 ( -29.214 4.704 2.445) 29.691 10.473 ( 3.817 1.766 -8.918) 9.860 10.574 ( -5.747 -4.519 -12.295) 14.304 10.852 ( 16.104 -4.912 -9.001) 19.091 11.174 ( -15.660 6.294 -8.318) 18.816 11.784 ( 12.703 -4.689 11.586) 17.821 11.946 ( -3.793 9.675 11.951) 15.837 12.069 ( 3.443 -10.990 7.332) 13.653 12.155 ( -4.885 6.932 -0.564) 8.499 12.815 ( 1.359 12.758 0.813) 12.856 12.859 ( -3.334 -13.386 2.044) 13.946 13.656 ( 16.906 -10.152 -1.344) 19.766 13.989 ( -16.906 8.142 -0.977) 18.790 14.510 ( 12.361 -3.481 1.635) 12.946 14.717 ( -8.723 4.647 2.353) 10.160 15.647 ( 8.607 -2.833 4.197) 9.986 15.754 ( 2.080 -3.996 2.160) 4.996 15.840 ( 0.381 0.779 2.388) 2.541 15.884 ( 0.980 2.181 3.478) 4.220 16.659 ( 5.475 3.249 -0.497) 6.386 16.814 ( -9.726 0.770 -0.522) 9.771 17.007 ( 3.336 0.113 -5.642) 6.555 17.063 ( -2.849 -3.562 -4.086) 6.124 19.961 ( 10.421 -4.147 -1.954) 11.385 20.193 ( -13.602 4.314 -2.809) 14.543 20.749 ( 5.729 -1.079 0.484) 5.850 20.866 ( -6.216 1.192 0.070) 6.330 ======================= Grid point 131 (103/160) ======================= q-point: (-0.52 0.19 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 19.595 -22.776 -2.059) 30.116 3.845 ( 18.376 -12.999 -15.658) 27.419 4.351 ( 9.593 2.854 -1.591) 10.134 4.637 ( 5.061 2.742 5.127) 7.708 5.164 ( -4.461 -4.430 11.170) 12.817 5.516 ( -8.504 -2.467 -1.785) 9.033 5.533 ( 8.770 -7.915 9.144) 14.939 5.714 ( -8.364 -4.785 -3.108) 10.125 6.091 ( -5.983 -7.782 0.063) 9.816 6.356 ( 3.948 -11.082 -6.015) 13.213 7.098 ( -0.470 -12.065 -7.757) 14.351 7.723 ( 42.951 -5.867 -0.111) 43.350 8.011 ( 1.933 21.212 -14.394) 25.708 9.574 ( 2.855 -2.068 -1.473) 3.820 9.938 ( -7.847 15.984 12.953) 22.019 10.325 ( 8.433 2.773 -5.500) 10.443 10.599 ( 6.249 5.050 -10.271) 13.040 10.618 ( -6.730 -5.604 -15.404) 17.719 10.686 ( -24.085 3.601 4.752) 24.812 11.256 ( 11.195 -6.573 6.241) 14.404 11.646 ( 4.694 -4.435 4.168) 7.685 11.710 ( -6.538 -5.583 2.258) 8.889 12.191 ( 1.906 7.404 10.543) 13.023 12.411 ( -6.044 3.172 -1.308) 6.950 12.554 ( -3.448 -15.062 5.321) 16.342 12.818 ( 13.948 -4.420 -8.021) 16.686 13.366 ( -5.541 2.101 -2.797) 6.553 14.128 ( 6.907 -7.446 2.093) 10.370 14.398 ( -3.550 4.686 0.394) 5.892 14.923 ( 0.413 3.535 8.836) 9.526 15.294 ( 10.261 -9.699 0.680) 14.136 15.500 ( 7.127 -4.002 -2.242) 8.476 15.774 ( 7.691 0.570 0.730) 7.747 15.852 ( -2.955 -7.067 1.150) 7.746 16.747 ( 5.116 1.461 -0.385) 5.334 16.771 ( -1.698 -0.343 2.863) 3.346 17.082 ( -3.818 7.519 -5.798) 10.234 17.300 ( -0.175 14.456 -6.076) 15.682 19.535 ( 6.253 -17.795 -2.632) 19.045 20.549 ( -14.435 -9.113 1.400) 17.128 20.651 ( 0.905 11.491 -1.256) 11.595 21.074 ( -3.238 5.759 -0.304) 6.614 ======================= Grid point 133 (104/160) ======================= q-point: ( 0.48 -0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( -8.162 11.996 0.000) 14.509 4.202 ( 4.579 2.729 -0.000) 5.331 4.425 ( -8.271 5.842 0.000) 10.126 4.578 ( 12.620 -1.084 -0.000) 12.667 5.349 ( 1.346 -5.248 -0.000) 5.417 5.360 ( 4.373 -1.266 -0.000) 4.552 5.679 ( -6.884 -7.126 0.000) 9.908 5.922 ( 5.278 -17.015 -0.000) 17.815 6.454 ( -13.431 5.366 0.000) 14.464 6.647 ( 5.329 -12.730 -0.000) 13.800 7.171 ( 16.423 5.014 -0.000) 17.172 7.443 ( -7.078 24.571 0.000) 25.570 8.325 ( -28.760 14.908 0.000) 32.394 9.713 ( 0.307 3.121 0.000) 3.136 9.834 ( 6.769 -9.328 -0.000) 11.525 10.046 ( 5.304 -3.903 -0.000) 6.585 10.190 ( -20.883 3.027 0.000) 21.102 10.324 ( 5.045 6.178 0.000) 7.976 10.706 ( 12.907 12.617 -0.000) 18.049 11.004 ( 12.913 -12.918 -0.000) 18.265 11.789 ( -2.417 -8.283 -0.000) 8.628 11.941 ( -13.599 3.211 0.000) 13.973 12.175 ( -0.872 -4.879 -0.000) 4.956 12.303 ( -7.143 -8.302 -0.000) 10.952 12.879 ( 8.602 -3.165 -0.000) 9.166 13.048 ( 5.271 7.665 0.000) 9.303 13.802 ( -11.462 22.979 0.000) 25.679 13.980 ( 15.420 -11.972 -0.000) 19.522 14.513 ( -9.090 5.681 0.000) 10.719 14.705 ( 6.716 -13.481 -0.000) 15.061 15.562 ( -12.136 0.562 0.000) 12.149 15.760 ( -10.327 -4.435 0.000) 11.239 15.928 ( 6.499 -10.353 -0.000) 12.224 16.014 ( 2.772 -1.558 -0.000) 3.180 16.417 ( -5.206 -4.743 0.000) 7.043 16.645 ( -5.231 8.580 0.000) 10.049 17.002 ( 3.538 13.804 0.000) 14.251 17.398 ( 4.969 14.804 0.000) 15.616 19.907 ( -5.050 2.419 0.000) 5.599 20.081 ( 13.583 -15.790 -0.000) 20.828 20.828 ( 4.451 -6.791 -0.000) 8.120 20.840 ( -3.750 10.137 0.000) 10.809 ======================= Grid point 135 (105/160) ======================= q-point: (-0.52 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 0.000 -2.882 -17.034) 17.277 3.680 ( -0.000 17.681 3.718) 18.067 3.710 ( 0.000 -0.723 -25.521) 25.532 4.302 ( 0.000 16.633 -13.436) 21.382 5.027 ( 0.000 3.430 -3.456) 4.869 5.387 ( 0.000 -2.921 -6.264) 6.912 5.791 ( 0.000 -2.406 -3.459) 4.213 6.084 ( -0.000 -16.529 13.614) 21.414 6.162 ( 0.000 0.701 -2.881) 2.965 6.729 ( 0.000 -11.340 -14.417) 18.342 7.228 ( -0.000 2.282 4.925) 5.428 7.412 ( 0.000 7.290 -6.513) 9.776 8.193 ( -0.000 9.167 11.040) 14.350 9.186 ( 0.000 -5.025 -4.522) 6.760 9.662 ( -0.000 -1.797 5.829) 6.099 9.791 ( -0.000 9.429 2.207) 9.684 10.180 ( 0.000 4.234 -7.102) 8.268 10.832 ( 0.000 9.110 -8.203) 12.259 11.092 ( 0.000 -12.877 3.352) 13.306 11.444 ( -0.000 -3.439 18.581) 18.897 11.553 ( 0.000 -16.810 1.257) 16.857 11.732 ( -0.000 1.559 1.050) 1.880 11.840 ( -0.000 0.258 6.862) 6.867 12.247 ( 0.000 7.765 -3.488) 8.512 12.913 ( 0.000 18.228 -12.519) 22.113 13.474 ( 0.000 3.648 -2.190) 4.255 13.580 ( 0.000 -2.156 -21.161) 21.271 13.906 ( -0.000 -14.679 7.423) 16.449 14.218 ( -0.000 7.489 0.036) 7.489 14.852 ( 0.000 -0.287 -5.557) 5.564 14.874 ( 0.000 -1.643 -5.783) 6.012 15.308 ( 0.000 -3.129 0.979) 3.279 15.623 ( 0.000 8.765 -6.893) 11.151 16.052 ( 0.000 -3.126 0.249) 3.136 16.534 ( -0.000 -0.474 7.919) 7.933 16.570 ( 0.000 -1.808 -0.476) 1.870 17.258 ( -0.000 6.701 1.790) 6.936 17.557 ( -0.000 12.188 -0.444) 12.196 19.529 ( 0.000 -13.652 -6.624) 15.174 20.562 ( 0.000 9.383 -3.594) 10.047 20.925 ( -0.000 -7.605 11.464) 13.757 21.193 ( -0.000 -2.604 3.490) 4.354 ======================= Grid point 136 (106/160) ======================= q-point: (-0.40 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( 18.131 -18.016 -0.000) 25.560 4.035 ( 23.117 -3.511 -0.000) 23.382 4.448 ( 3.511 4.617 0.000) 5.801 4.652 ( -6.313 3.310 0.000) 7.128 5.314 ( -8.406 -4.207 0.000) 9.400 5.394 ( 2.436 1.247 -0.000) 2.736 5.438 ( 1.913 -17.318 -0.000) 17.423 5.527 ( -4.848 -13.758 -0.000) 14.587 6.351 ( 11.868 -4.532 -0.000) 12.704 6.662 ( -0.341 -0.862 -0.000) 0.927 6.708 ( 25.930 -3.714 -0.000) 26.195 7.894 ( -2.430 13.166 0.000) 13.388 9.192 ( -37.225 6.802 0.000) 37.841 9.331 ( 29.796 -0.091 -0.000) 29.796 9.646 ( 5.307 0.114 -0.000) 5.308 10.311 ( 2.923 9.799 0.000) 10.226 10.390 ( -6.982 2.930 0.000) 7.572 10.663 ( 9.629 13.287 0.000) 16.409 10.705 ( -6.256 -0.134 0.000) 6.258 10.885 ( -19.907 12.440 0.000) 23.474 11.537 ( 3.978 -10.428 -0.000) 11.161 11.796 ( 1.593 -26.335 -0.000) 26.384 11.907 ( 8.262 -8.789 -0.000) 12.062 12.447 ( -15.621 -0.229 0.000) 15.623 12.938 ( 3.579 12.685 0.000) 13.180 13.098 ( 0.858 3.063 0.000) 3.181 13.294 ( 23.938 -14.605 -0.000) 28.041 14.279 ( 8.363 -13.169 -0.000) 15.600 14.430 ( -8.025 16.707 0.000) 18.535 14.821 ( -12.483 3.894 0.000) 13.076 15.500 ( 9.551 -12.971 -0.000) 16.108 15.626 ( 3.673 -11.139 -0.000) 11.729 15.717 ( 7.426 -13.558 -0.000) 15.458 15.742 ( -5.881 -1.341 0.000) 6.032 16.477 ( -6.026 0.005 0.000) 6.026 16.953 ( -5.189 9.865 0.000) 11.146 17.399 ( 0.874 22.731 0.000) 22.748 17.595 ( 5.081 13.027 0.000) 13.982 19.451 ( 13.098 -19.854 -0.000) 23.786 20.077 ( -9.350 0.726 0.000) 9.378 20.657 ( 0.939 -3.555 -0.000) 3.676 21.089 ( -1.466 7.729 0.000) 7.867 ======================= Grid point 138 (107/160) ======================= q-point: (-0.40 -0.26 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( -1.317 -6.345 -27.917) 28.660 3.734 ( -12.921 -8.966 -26.347) 30.684 4.161 ( -3.406 18.049 -0.035) 18.368 4.681 ( -1.389 11.750 -7.354) 13.931 5.113 ( 4.523 -6.445 -3.171) 8.488 5.291 ( -8.888 -0.466 -7.252) 11.480 5.714 ( 1.240 -4.009 0.885) 4.289 5.849 ( -2.480 -4.925 -0.862) 5.581 5.970 ( 9.031 -7.223 -0.128) 11.565 6.603 ( -14.757 -13.360 -19.261) 27.699 7.126 ( 14.369 -11.859 -15.774) 24.412 7.283 ( 1.881 5.707 -3.109) 6.766 8.541 ( -3.385 16.945 4.200) 17.783 9.199 ( -13.654 -6.868 -3.989) 15.796 9.721 ( -2.300 5.553 10.485) 12.086 10.107 ( -0.334 12.743 10.979) 16.823 10.318 ( -7.736 2.436 3.003) 8.649 10.681 ( 0.534 -20.020 4.941) 20.628 10.998 ( 1.071 2.588 -3.444) 4.439 11.263 ( 1.561 -4.373 3.317) 5.707 11.462 ( -5.267 -4.334 6.110) 9.157 11.693 ( 5.557 5.405 -12.012) 14.296 11.896 ( -2.197 -0.007 8.014) 8.310 12.374 ( 5.638 7.318 -8.616) 12.633 13.157 ( 15.244 2.314 -8.500) 17.606 13.341 ( -0.816 1.762 -19.300) 19.397 13.561 ( 5.001 -3.872 7.894) 10.115 13.740 ( -9.209 -0.364 -5.099) 10.532 14.436 ( -8.238 1.676 -8.761) 12.142 14.708 ( 7.064 1.280 0.613) 7.205 14.990 ( -8.477 -2.725 -3.028) 9.405 15.293 ( -4.332 -2.461 2.867) 5.748 15.728 ( 0.562 0.568 -8.515) 8.552 15.932 ( 3.582 -5.136 0.093) 6.262 16.547 ( -1.846 0.339 3.781) 4.222 16.594 ( -3.865 1.493 0.031) 4.144 17.498 ( 0.061 15.679 0.213) 15.680 17.809 ( 1.055 12.425 0.042) 12.470 19.217 ( -2.011 -16.165 -11.436) 19.903 20.417 ( 5.664 -17.382 6.116) 19.278 20.931 ( 1.514 6.849 7.318) 10.136 21.179 ( 0.853 4.114 3.763) 5.640 ======================= Grid point 142 (108/160) ======================= q-point: ( 0.22 0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 10.267 15.594 3.230) 18.947 4.282 ( -0.102 4.445 4.784) 6.531 4.485 ( 5.822 9.111 -2.157) 11.026 4.772 ( 6.044 -2.343 3.674) 7.451 4.904 ( -1.544 13.147 -3.917) 13.805 5.349 ( 1.528 0.765 -4.778) 5.075 5.454 ( -4.356 2.563 -3.677) 6.250 5.625 ( -8.984 -5.168 8.394) 13.337 6.068 ( -3.059 8.190 3.081) 9.269 6.463 ( 1.257 -7.275 0.761) 7.422 7.112 ( -2.148 19.728 -0.270) 19.846 8.208 ( 1.431 -24.977 0.430) 25.022 8.729 ( 46.159 3.532 6.757) 46.784 9.458 ( -10.882 -1.374 -7.095) 13.063 9.746 ( -0.283 -7.344 3.405) 8.100 9.940 ( -30.338 -5.717 -5.916) 31.433 10.540 ( 2.272 2.950 -0.417) 3.747 10.812 ( 2.044 -4.790 3.297) 6.164 10.942 ( 9.324 0.030 6.011) 11.093 11.199 ( -8.613 7.409 -4.575) 12.247 11.584 ( -2.077 10.427 -1.134) 10.692 11.714 ( 8.048 -3.434 -0.459) 8.762 11.989 ( -1.492 -4.957 -0.898) 5.254 12.352 ( -3.657 6.630 2.320) 7.919 12.410 ( 0.745 6.649 -4.453) 8.037 13.095 ( -0.558 -9.727 2.345) 10.021 13.573 ( 12.382 7.400 8.360) 16.672 13.949 ( -12.378 8.120 -6.429) 16.139 14.413 ( 3.352 0.531 0.863) 3.502 14.831 ( 1.033 -8.262 -2.396) 8.664 15.506 ( 6.224 5.263 3.535) 8.885 15.678 ( 3.812 8.166 2.058) 9.244 15.723 ( -4.824 6.084 -1.344) 7.879 15.879 ( 3.767 -0.608 -0.661) 3.873 16.678 ( -0.916 2.099 -1.715) 2.861 16.784 ( 0.806 -1.794 -1.070) 2.239 17.095 ( -2.572 -10.704 1.679) 11.136 17.387 ( 0.092 -15.745 0.916) 15.772 19.721 ( 5.502 16.861 2.008) 17.849 20.247 ( -8.959 9.135 -2.304) 13.000 20.713 ( 1.765 -7.226 0.322) 7.445 21.022 ( -1.689 -8.428 -0.349) 8.602 ======================= Grid point 145 (109/160) ======================= q-point: (-0.28 0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 27.482 -21.843 -0.000) 35.105 3.354 ( 35.191 -5.807 -0.000) 35.667 4.432 ( 5.864 2.321 -0.000) 6.307 4.766 ( 5.737 2.461 -0.000) 6.243 5.081 ( 3.921 -15.963 -0.000) 16.438 5.221 ( -9.394 -8.856 0.000) 12.910 5.457 ( -12.197 -2.333 0.000) 12.418 5.463 ( 11.822 -0.112 -0.000) 11.823 5.673 ( 25.932 -4.929 -0.000) 26.396 6.477 ( 2.987 0.245 -0.000) 2.997 6.494 ( 8.512 -4.108 -0.000) 9.452 8.170 ( -1.024 9.297 0.000) 9.353 8.745 ( 40.225 8.083 -0.000) 41.029 9.500 ( 10.028 -0.667 -0.000) 10.050 10.022 ( -36.445 3.237 0.000) 36.588 10.296 ( 6.259 0.551 -0.000) 6.284 10.477 ( -3.622 1.616 0.000) 3.967 10.641 ( 17.131 11.765 -0.000) 20.782 11.008 ( 3.263 -5.881 -0.000) 6.726 11.187 ( -4.942 -20.014 -0.000) 20.615 11.299 ( 9.225 -7.712 -0.000) 12.023 11.463 ( -13.468 0.671 0.000) 13.485 11.710 ( -15.922 3.205 0.000) 16.242 12.519 ( 27.972 -6.092 -0.000) 28.628 12.733 ( -10.472 3.492 0.000) 11.039 13.143 ( 4.551 10.259 0.000) 11.223 13.171 ( -6.353 -0.238 0.000) 6.357 13.859 ( 6.257 -11.929 -0.000) 13.471 14.736 ( 4.354 6.817 0.000) 8.089 15.066 ( 11.696 -7.990 -0.000) 14.165 15.070 ( -1.439 -0.795 0.000) 1.644 15.312 ( 1.992 -7.359 -0.000) 7.624 15.377 ( -3.235 -6.603 -0.000) 7.353 15.750 ( 0.877 -1.675 -0.000) 1.891 16.597 ( -5.611 0.340 0.000) 5.621 17.213 ( -4.775 4.987 0.000) 6.904 17.779 ( 2.307 11.644 0.000) 11.871 17.811 ( 7.514 21.958 0.000) 23.208 18.763 ( 10.307 -22.415 -0.000) 24.671 20.261 ( -9.466 -1.412 0.000) 9.571 20.642 ( -2.529 -0.126 0.000) 2.532 21.207 ( 0.920 3.098 0.000) 3.232 ======================= Grid point 147 (110/160) ======================= q-point: (-0.28 -0.38 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( -5.308 -0.765 -29.990) 30.465 3.676 ( -8.174 -16.232 -22.217) 28.703 4.440 ( 4.081 7.414 -6.580) 10.720 4.693 ( 2.747 -5.296 0.801) 6.019 4.848 ( 11.102 -2.476 -6.151) 12.931 5.504 ( 8.412 -0.134 3.393) 9.072 5.536 ( -2.694 -1.637 -11.903) 12.314 5.650 ( -2.318 1.369 -0.016) 2.692 6.043 ( -1.363 -2.593 -6.318) 6.964 6.577 ( 11.039 -8.671 -8.298) 16.307 6.766 ( -31.130 -6.516 -17.588) 36.343 7.460 ( -0.741 7.436 -7.623) 10.675 8.934 ( -6.575 10.221 0.705) 12.173 9.438 ( -21.672 -1.528 -5.790) 22.484 9.881 ( 1.664 6.247 14.989) 16.324 10.202 ( -5.221 -7.025 1.886) 8.953 10.335 ( 0.757 -8.169 8.167) 11.576 10.537 ( -3.240 3.772 14.303) 15.143 10.935 ( 6.972 1.935 -2.284) 7.588 11.168 ( 0.360 -7.280 -4.624) 8.632 11.506 ( -4.035 1.357 7.205) 8.369 11.798 ( 1.486 6.268 -16.984) 18.165 11.877 ( 2.736 -0.592 4.703) 5.473 12.337 ( 9.249 4.287 -5.455) 11.562 12.812 ( 11.094 -0.554 -9.532) 14.638 13.285 ( 1.981 -5.487 -8.774) 10.536 13.516 ( 5.658 0.983 -1.445) 5.922 13.850 ( -0.075 -0.231 -5.149) 5.155 14.481 ( -3.152 -3.383 -10.300) 11.290 14.792 ( -1.930 9.402 7.922) 12.445 15.115 ( -12.142 -4.648 -6.038) 14.335 15.317 ( -5.633 -4.194 5.088) 8.672 15.648 ( 4.194 -2.726 -8.190) 9.596 15.727 ( 6.552 -3.956 0.579) 7.675 16.637 ( -4.979 1.320 5.925) 7.850 16.725 ( -3.474 3.029 -4.648) 6.545 17.869 ( -1.278 15.877 -0.727) 15.945 18.018 ( 2.191 9.647 4.651) 10.931 18.988 ( -6.188 -11.130 -17.174) 21.381 19.846 ( 11.797 -17.780 6.662) 22.354 21.001 ( -1.073 1.657 10.221) 10.410 21.301 ( 1.253 6.476 1.513) 6.768 ======================= Grid point 148 (111/160) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 34.649 0.000 -0.000) 34.649 2.533 ( 41.549 0.000 -0.000) 41.549 4.098 ( 58.512 0.000 -0.000) 58.512 4.340 ( 5.790 0.000 -0.000) 5.790 4.764 ( 4.348 0.000 -0.000) 4.348 5.385 ( -14.877 -0.000 0.000) 14.877 5.389 ( -4.026 -0.000 0.000) 4.026 5.454 ( 1.212 0.000 -0.000) 1.212 5.668 ( -12.807 -0.000 0.000) 12.807 6.275 ( 8.489 0.000 -0.000) 8.489 6.417 ( 5.142 0.000 -0.000) 5.142 8.079 ( 41.058 0.000 -0.000) 41.058 8.267 ( 2.852 0.000 -0.000) 2.852 9.237 ( 14.068 0.000 -0.000) 14.068 10.153 ( 7.833 0.000 -0.000) 7.833 10.467 ( 15.947 0.000 -0.000) 15.947 10.559 ( 3.618 0.000 -0.000) 3.618 10.635 ( -12.967 -0.000 0.000) 12.967 10.672 ( -0.297 -0.000 0.000) 0.297 10.911 ( 1.408 0.000 -0.000) 1.408 11.131 ( -5.809 -0.000 0.000) 5.809 11.526 ( 17.602 0.000 -0.000) 17.602 12.046 ( -10.206 -0.000 0.000) 10.206 12.272 ( -8.852 -0.000 0.000) 8.852 12.925 ( -2.126 -0.000 0.000) 2.126 13.131 ( 9.019 0.000 -0.000) 9.019 13.380 ( -15.753 -0.000 0.000) 15.753 13.643 ( 1.381 0.000 -0.000) 1.381 14.572 ( 14.181 0.000 -0.000) 14.181 14.749 ( 11.978 0.000 -0.000) 11.978 14.923 ( 2.404 0.000 -0.000) 2.404 15.358 ( -5.699 -0.000 0.000) 5.699 15.502 ( -10.323 -0.000 0.000) 10.323 15.673 ( 4.535 0.000 -0.000) 4.535 16.695 ( -4.153 -0.000 0.000) 4.153 17.344 ( -4.074 -0.000 0.000) 4.074 17.808 ( 23.772 0.000 -0.000) 23.772 17.950 ( -2.116 -0.000 0.000) 2.116 18.384 ( -3.688 -0.000 0.000) 3.688 20.369 ( -5.777 -0.000 0.000) 5.777 20.703 ( -2.896 -0.000 0.000) 2.896 21.206 ( 1.807 0.000 -0.000) 1.807 ======================= Grid point 149 (112/160) ======================= q-point: ( 0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -0.000 29.980 6.747) 30.730 3.575 ( -0.000 33.200 -8.484) 34.267 3.915 ( 0.000 -5.566 -7.806) 9.587 4.710 ( 0.000 -2.049 -25.723) 25.804 5.091 ( 0.000 -1.056 -4.576) 4.696 5.500 ( 0.000 6.696 -2.404) 7.114 5.835 ( -0.000 -0.965 3.689) 3.813 6.034 ( -0.000 -0.036 6.713) 6.713 6.225 ( 0.000 3.967 -7.814) 8.763 6.506 ( -0.000 26.569 17.837) 32.001 6.810 ( -0.000 9.417 18.217) 20.507 7.180 ( 0.000 13.257 -12.215) 18.027 7.826 ( -0.000 -0.205 17.533) 17.534 9.389 ( 0.000 -0.644 -6.814) 6.844 9.637 ( -0.000 -5.428 5.473) 7.709 10.235 ( 0.000 -19.834 -19.149) 27.569 10.330 ( 0.000 0.903 -12.711) 12.744 10.743 ( 0.000 10.040 -5.906) 11.648 10.983 ( -0.000 8.174 10.770) 13.521 11.217 ( -0.000 -9.503 16.606) 19.133 11.379 ( -0.000 9.997 14.195) 17.362 11.763 ( 0.000 -17.913 5.480) 18.733 11.926 ( 0.000 -0.770 -1.887) 2.038 12.218 ( 0.000 1.779 -3.934) 4.318 12.696 ( 0.000 18.282 -6.810) 19.509 13.423 ( -0.000 3.679 -0.601) 3.727 13.897 ( -0.000 10.087 6.169) 11.824 13.951 ( 0.000 7.324 -15.225) 16.895 14.170 ( 0.000 -15.387 -0.479) 15.394 14.908 ( 0.000 5.394 -6.156) 8.184 15.166 ( 0.000 -4.812 -9.291) 10.463 15.341 ( -0.000 -9.751 7.657) 12.398 15.589 ( 0.000 15.765 -15.935) 22.416 16.103 ( 0.000 -1.088 -1.010) 1.484 16.326 ( -0.000 11.643 14.423) 18.536 16.445 ( -0.000 -5.705 6.496) 8.646 17.197 ( 0.000 -2.738 0.902) 2.883 17.290 ( -0.000 8.904 2.968) 9.386 19.704 ( -0.000 8.424 -1.736) 8.601 20.470 ( 0.000 2.192 -4.204) 4.741 20.956 ( -0.000 -9.381 5.953) 11.110 21.238 ( 0.000 -7.244 1.552) 7.409 ======================= Grid point 150 (113/160) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 1.720 0.000 -14.308) 14.411 3.574 ( -5.376 0.000 -29.011) 29.505 4.379 ( 6.082 0.000 -8.785) 10.685 4.541 ( 15.396 0.000 -3.561) 15.803 4.548 ( 5.212 0.000 -3.605) 6.337 5.353 ( 3.055 -0.000 3.874) 4.933 5.394 ( 10.354 0.000 4.177) 11.165 5.847 ( 4.562 0.000 -2.247) 5.085 5.970 ( -9.205 0.000 -14.461) 17.142 6.444 ( -5.538 0.000 -11.390) 12.665 7.115 ( 6.830 0.000 0.762) 6.872 7.802 ( -38.217 -0.000 -3.527) 38.379 9.157 ( -3.838 -0.000 5.312) 6.553 9.828 ( 10.494 -0.000 11.828) 15.812 9.889 ( -19.888 -0.000 -8.462) 21.613 10.218 ( -7.536 -0.000 1.649) 7.714 10.270 ( -1.704 -0.000 7.863) 8.046 10.582 ( -0.661 -0.000 0.605) 0.896 10.881 ( 6.523 0.000 -9.287) 11.349 10.953 ( 4.865 -0.000 2.288) 5.377 11.476 ( 10.998 0.000 -4.911) 12.045 11.592 ( 15.316 0.000 4.485) 15.959 12.120 ( -20.742 -0.000 1.081) 20.771 12.248 ( 7.574 -0.000 9.770) 12.362 12.780 ( -3.895 0.000 -22.013) 22.355 13.119 ( 4.868 0.000 -5.355) 7.237 13.390 ( 6.680 -0.000 4.133) 7.855 13.685 ( 14.184 0.000 -8.809) 16.697 14.562 ( -6.716 0.000 -6.205) 9.144 14.988 ( -4.689 -0.000 4.895) 6.778 15.208 ( -5.727 0.000 -2.919) 6.428 15.414 ( -8.755 -0.000 1.626) 8.905 15.480 ( 8.603 0.000 -5.998) 10.487 15.566 ( 5.800 -0.000 3.299) 6.672 16.741 ( -2.915 -0.000 10.387) 10.788 16.833 ( -4.712 0.000 -9.881) 10.947 18.036 ( 1.087 -0.000 4.707) 4.831 18.151 ( -1.037 -0.000 0.876) 1.358 19.018 ( -7.507 0.000 -15.032) 16.802 19.361 ( 13.784 0.000 1.101) 13.828 21.062 ( -2.837 -0.000 10.979) 11.340 21.344 ( 1.690 -0.000 1.184) 2.063 ======================= Grid point 151 (114/160) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 13.904 0.000 0.000) 13.904 4.158 ( 11.378 -0.000 0.000) 11.378 4.318 ( 19.554 -0.000 -0.000) 19.554 4.461 ( 14.102 -0.000 -0.000) 14.102 5.097 ( -4.126 -0.000 -0.000) 4.126 5.399 ( -2.011 0.000 -0.000) 2.011 5.650 ( -8.640 -0.000 -0.000) 8.640 5.853 ( -12.619 -0.000 -0.000) 12.619 6.166 ( -1.489 -0.000 -0.000) 1.489 6.496 ( -11.532 0.000 0.000) 11.532 7.560 ( 3.009 0.000 0.000) 3.009 7.700 ( 10.684 -0.000 -0.000) 10.684 7.874 ( 30.779 0.000 -0.000) 30.779 9.483 ( -0.370 -0.000 -0.000) 0.370 9.669 ( -0.381 -0.000 -0.000) 0.381 10.372 ( 15.031 -0.000 -0.000) 15.031 10.576 ( -27.799 -0.000 0.000) 27.799 10.707 ( 6.883 0.000 -0.000) 6.883 10.912 ( -8.531 -0.000 0.000) 8.531 11.247 ( 10.657 -0.000 -0.000) 10.657 11.614 ( -4.945 -0.000 0.000) 4.945 11.836 ( -1.701 0.000 -0.000) 1.701 11.893 ( 2.480 0.000 -0.000) 2.480 12.282 ( -3.969 0.000 -0.000) 3.969 12.817 ( 1.198 0.000 -0.000) 1.198 12.870 ( -3.042 -0.000 0.000) 3.042 13.421 ( 6.613 -0.000 0.000) 6.613 14.190 ( 9.130 -0.000 -0.000) 9.130 14.332 ( -7.940 -0.000 -0.000) 7.940 14.757 ( 1.185 -0.000 -0.000) 1.185 15.410 ( 10.313 -0.000 -0.000) 10.313 15.623 ( 6.875 -0.000 -0.000) 6.875 15.685 ( 12.093 0.000 0.000) 12.093 15.909 ( -5.702 -0.000 -0.000) 5.702 16.625 ( 0.312 -0.000 -0.000) 0.312 16.938 ( 2.638 0.000 -0.000) 2.638 17.066 ( -6.999 0.000 -0.000) 6.999 17.145 ( -2.241 -0.000 -0.000) 2.241 19.811 ( 6.956 -0.000 -0.000) 6.956 20.453 ( -6.195 0.000 -0.000) 6.195 20.695 ( -4.330 -0.000 -0.000) 4.330 20.982 ( -5.811 -0.000 -0.000) 5.811 ======================= Grid point 153 (115/160) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.000 0.000 -41.135) 41.135 1.833 ( 0.000 0.000 -42.518) 42.518 2.826 ( 0.000 0.000 -66.731) 66.731 4.352 ( 0.000 0.000 -8.559) 8.559 4.689 ( 0.000 0.000 -1.615) 1.615 5.315 ( -0.000 -0.000 2.592) 2.592 5.546 ( 0.000 0.000 -3.661) 3.661 5.582 ( -0.000 -0.000 13.123) 13.123 6.049 ( -0.000 -0.000 3.285) 3.285 6.081 ( 0.000 0.000 -3.977) 3.977 6.347 ( 0.000 0.000 -8.096) 8.096 6.659 ( 0.000 0.000 -14.884) 14.884 8.653 ( 0.000 0.000 -14.856) 14.856 8.688 ( 0.000 0.000 -1.574) 1.574 9.874 ( 0.000 0.000 -1.151) 1.151 10.200 ( -0.000 -0.000 0.524) 0.524 10.271 ( 0.000 0.000 -9.412) 9.412 10.686 ( 0.000 0.000 -30.222) 30.222 10.949 ( -0.000 -0.000 5.379) 5.379 11.020 ( 0.000 0.000 -27.615) 27.615 11.042 ( 0.000 0.000 -1.197) 1.197 11.538 ( -0.000 -0.000 16.222) 16.222 12.320 ( -0.000 -0.000 8.739) 8.739 12.342 ( -0.000 -0.000 19.605) 19.605 12.953 ( 0.000 0.000 -9.811) 9.811 13.460 ( 0.000 0.000 -4.177) 4.177 13.610 ( 0.000 0.000 -12.584) 12.584 13.666 ( 0.000 0.000 -0.940) 0.940 13.810 ( -0.000 -0.000 7.663) 7.663 14.301 ( 0.000 0.000 -1.272) 1.272 15.221 ( 0.000 0.000 -10.036) 10.036 15.321 ( 0.000 0.000 -0.089) 0.089 15.407 ( -0.000 -0.000 6.769) 6.769 16.019 ( -0.000 -0.000 5.971) 5.971 16.254 ( 0.000 0.000 -1.215) 1.215 16.794 ( 0.000 0.000 -0.611) 0.611 17.857 ( 0.000 0.000 -16.814) 16.814 18.030 ( 0.000 0.000 -0.300) 0.300 18.457 ( -0.000 -0.000 3.163) 3.163 20.196 ( -0.000 -0.000 6.179) 6.179 21.184 ( 0.000 0.000 -0.401) 0.401 21.557 ( -0.000 -0.000 4.260) 4.260 ======================= Grid point 159 (116/160) ======================= q-point: ( 0.45 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.660 ( -10.229 24.550 2.658) 26.728 3.872 ( -5.833 -3.922 -12.888) 14.680 4.160 ( -2.853 15.669 -12.231) 20.082 4.716 ( -1.626 3.235 -19.715) 20.045 5.209 ( -7.049 -0.262 -4.215) 8.217 5.523 ( -2.621 -3.592 -6.540) 7.908 5.737 ( 1.906 -7.877 15.876) 17.825 5.809 ( 4.853 -1.505 -1.443) 5.282 6.211 ( 3.536 -7.668 -4.615) 9.623 7.008 ( 3.187 -0.344 10.244) 10.734 7.053 ( -7.802 15.404 -6.625) 18.494 7.354 ( 5.431 12.358 -0.660) 13.514 7.985 ( -2.753 14.927 9.658) 17.991 9.410 ( -11.482 -4.648 -4.060) 13.036 9.605 ( -3.289 -2.784 2.634) 5.050 9.877 ( 4.092 -4.911 -11.102) 12.811 10.375 ( -1.979 -3.087 -3.689) 5.202 10.802 ( 10.395 6.407 6.958) 14.054 11.032 ( -4.025 -6.304 15.628) 17.325 11.139 ( -4.675 -15.272 0.676) 15.986 11.414 ( 1.026 8.972 0.692) 9.057 11.670 ( -2.844 3.201 5.089) 6.650 11.932 ( -7.824 -5.427 -2.843) 9.937 12.269 ( 3.295 6.603 -3.087) 7.999 13.164 ( 0.327 17.581 -9.011) 19.758 13.461 ( 2.250 6.134 -3.536) 7.429 13.570 ( 17.102 -9.204 5.026) 20.061 14.092 ( -3.892 -0.760 -17.508) 17.951 14.245 ( -6.496 4.820 5.508) 9.786 14.879 ( 2.727 -6.898 -2.061) 7.699 15.145 ( -5.926 -4.275 -5.911) 9.398 15.289 ( -7.994 0.393 1.737) 8.190 15.885 ( -0.783 8.350 -15.029) 17.210 16.050 ( 1.304 -3.560 -1.952) 4.264 16.352 ( -1.417 -2.873 10.265) 10.754 16.550 ( -3.691 4.771 6.326) 8.741 17.187 ( 2.319 7.516 2.795) 8.347 17.523 ( 1.347 12.625 1.550) 12.791 19.702 ( -1.024 -6.891 -8.380) 10.898 20.628 ( 6.625 -15.409 9.346) 19.201 20.667 ( -0.900 12.033 -4.368) 12.832 21.066 ( 2.545 -4.710 5.925) 7.985 ======================= Grid point 162 (117/160) ======================= q-point: (-0.43 -0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( -4.869 -3.490 -21.404) 22.226 4.234 ( -4.386 7.902 -3.672) 9.755 4.289 ( -4.600 -1.137 -5.045) 6.921 4.797 ( 2.470 -1.687 -1.074) 3.178 5.087 ( 7.457 -4.198 -10.579) 13.607 5.527 ( 6.331 2.555 -8.394) 10.820 5.549 ( 1.608 -1.179 8.121) 8.363 5.780 ( 7.693 -11.701 2.115) 14.163 6.105 ( -20.848 1.621 -1.535) 20.967 6.714 ( 10.635 -8.034 7.636) 15.361 7.355 ( 8.032 1.067 -16.685) 18.548 7.503 ( -14.406 5.319 -11.539) 19.209 8.461 ( -3.561 19.248 9.987) 21.975 9.543 ( -7.173 -0.881 -6.990) 10.055 9.682 ( -8.696 1.005 -0.634) 8.777 10.013 ( -12.268 7.603 8.286) 16.642 10.234 ( 2.236 -5.588 14.176) 15.401 10.642 ( -1.246 -18.139 1.501) 18.244 10.784 ( 9.300 2.879 6.082) 11.479 11.166 ( -2.807 5.723 3.618) 7.329 11.610 ( -2.527 -4.682 -1.450) 5.514 11.763 ( -5.453 4.594 -2.440) 7.536 11.962 ( -1.404 -2.017 -4.796) 5.389 12.274 ( 14.073 3.342 -2.040) 14.607 12.964 ( 11.752 0.036 -5.365) 12.919 13.360 ( 8.418 3.439 0.016) 9.093 13.864 ( -10.883 10.569 -13.681) 20.428 13.931 ( 5.213 -11.406 -5.812) 13.822 14.426 ( -0.895 6.453 4.590) 7.970 14.685 ( 2.987 -4.249 1.439) 5.390 15.256 ( -12.209 -1.918 -3.982) 12.985 15.427 ( -9.726 -6.719 -1.159) 11.878 15.834 ( 5.558 -7.025 -1.996) 9.178 15.913 ( 4.823 -3.964 -8.222) 10.323 16.400 ( -4.395 0.781 10.449) 11.363 16.741 ( -3.535 7.833 -3.519) 9.286 17.457 ( 0.586 19.325 2.782) 19.533 17.739 ( 1.690 9.832 2.803) 10.363 19.553 ( -2.936 -9.949 -15.249) 18.442 20.106 ( 9.166 -17.837 8.810) 21.904 20.793 ( 1.405 -0.474 4.806) 5.029 21.084 ( 0.046 9.029 3.501) 9.684 ======================= Grid point 167 (118/160) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 0.000 -5.759 -34.167) 34.649 2.697 ( 0.000 -5.698 -38.444) 38.864 4.363 ( 0.000 -24.155 -44.926) 51.008 4.411 ( 0.000 10.975 -6.420) 12.715 4.730 ( 0.000 0.889 -1.569) 1.803 5.218 ( -0.000 4.144 1.835) 4.532 5.465 ( 0.000 -4.862 -2.834) 5.628 5.647 ( 0.000 -1.631 -2.577) 3.050 6.031 ( -0.000 -6.069 4.196) 7.378 6.109 ( 0.000 3.903 -5.080) 6.406 6.734 ( 0.000 -13.935 -12.518) 18.732 7.015 ( 0.000 0.468 -19.377) 19.382 8.780 ( 0.000 6.868 -3.967) 7.931 8.810 ( 0.000 -7.283 -2.066) 7.571 9.988 ( -0.000 0.593 2.655) 2.721 10.060 ( 0.000 -1.276 0.342) 1.321 10.527 ( -0.000 -11.321 5.191) 12.455 10.922 ( 0.000 -3.092 -6.730) 7.406 10.951 ( -0.000 12.678 12.055) 17.494 11.015 ( -0.000 10.561 0.930) 10.602 11.310 ( 0.000 -4.355 -21.985) 22.413 11.771 ( 0.000 -4.403 -3.673) 5.734 11.979 ( 0.000 -5.189 -5.906) 7.861 12.127 ( -0.000 0.743 10.076) 10.103 13.130 ( 0.000 5.744 -13.638) 14.798 13.447 ( -0.000 8.162 2.064) 8.419 13.535 ( 0.000 1.848 -4.671) 5.024 13.740 ( -0.000 -5.044 13.088) 14.026 13.959 ( 0.000 -2.222 -18.704) 18.835 14.487 ( 0.000 -7.444 -8.128) 11.022 15.185 ( -0.000 4.814 10.063) 11.156 15.264 ( 0.000 2.026 -2.602) 3.298 15.553 ( 0.000 -6.897 -4.872) 8.444 15.939 ( -0.000 -2.477 3.861) 4.588 16.335 ( 0.000 0.369 -8.992) 8.999 16.734 ( -0.000 1.594 4.962) 5.212 17.806 ( -0.000 17.137 -3.435) 17.478 18.013 ( 0.000 12.661 -8.727) 15.377 18.652 ( 0.000 -17.556 -4.313) 18.078 20.262 ( -0.000 -16.126 8.420) 18.191 21.147 ( -0.000 -0.220 5.174) 5.178 21.388 ( -0.000 7.358 3.330) 8.077 ======================= Grid point 170 (119/160) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -0.000 34.006 0.000) 34.006 2.873 ( -0.000 41.151 0.000) 41.151 4.083 ( 0.000 -3.702 -0.000) 3.702 4.600 ( -0.000 50.360 0.000) 50.360 5.130 ( -0.000 14.215 0.000) 14.215 5.202 ( 0.000 -3.664 -0.000) 3.664 5.743 ( 0.000 -7.169 -0.000) 7.169 5.952 ( -0.000 2.697 0.000) 2.697 6.106 ( 0.000 -0.036 -0.000) 0.036 6.189 ( -0.000 10.224 0.000) 10.224 6.439 ( -0.000 1.055 0.000) 1.055 6.854 ( -0.000 29.800 0.000) 29.800 7.763 ( 0.000 -11.546 -0.000) 11.546 9.309 ( -0.000 12.214 0.000) 12.214 9.785 ( 0.000 -11.409 -0.000) 11.409 10.417 ( -0.000 9.361 0.000) 9.361 10.526 ( -0.000 13.735 0.000) 13.735 10.563 ( 0.000 -0.297 -0.000) 0.297 10.837 ( -0.000 14.584 0.000) 14.584 11.109 ( 0.000 -14.628 -0.000) 14.628 11.474 ( 0.000 -29.867 -0.000) 29.867 11.636 ( -0.000 23.744 0.000) 23.744 12.138 ( 0.000 -18.041 -0.000) 18.041 12.253 ( 0.000 -0.120 -0.000) 0.120 12.548 ( -0.000 2.901 0.000) 2.901 13.363 ( -0.000 1.772 0.000) 1.772 13.646 ( -0.000 7.677 0.000) 7.677 13.870 ( -0.000 12.132 0.000) 12.132 14.503 ( 0.000 -12.854 -0.000) 12.854 14.803 ( -0.000 10.405 0.000) 10.405 15.355 ( 0.000 -4.488 -0.000) 4.488 15.497 ( 0.000 -7.475 -0.000) 7.475 15.572 ( -0.000 16.036 0.000) 16.036 15.668 ( -0.000 13.306 0.000) 13.306 16.145 ( 0.000 -1.249 -0.000) 1.249 16.510 ( 0.000 -6.098 -0.000) 6.098 17.042 ( -0.000 7.795 0.000) 7.795 17.319 ( 0.000 -5.996 -0.000) 5.996 19.376 ( -0.000 19.825 0.000) 19.825 20.557 ( 0.000 -4.554 -0.000) 4.554 21.054 ( 0.000 -5.102 -0.000) 5.102 21.407 ( 0.000 -8.233 -0.000) 8.233 ======================= Grid point 171 (120/160) ======================= q-point: (-0.31 -0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 10.692 -11.786 -6.707) 17.269 4.144 ( 0.756 -3.502 -19.101) 19.434 4.488 ( 5.718 7.232 -5.350) 10.659 4.651 ( 3.495 -3.269 -1.690) 5.075 4.811 ( 3.500 -9.746 -10.748) 14.925 5.296 ( 4.475 -3.386 2.143) 6.006 5.397 ( 6.257 -10.074 7.236) 13.892 5.720 ( 7.056 11.425 -0.930) 13.461 6.309 ( -2.901 -5.756 -6.845) 9.402 6.571 ( -5.780 -0.262 -0.295) 5.794 7.115 ( 23.916 1.984 -7.236) 25.065 7.896 ( -27.124 -1.793 -0.009) 27.183 8.853 ( -7.637 9.232 7.769) 14.279 9.630 ( 3.737 3.862 0.939) 5.455 9.972 ( 8.385 -1.539 10.464) 13.497 10.073 ( -20.481 5.283 -6.118) 22.019 10.359 ( -8.192 -10.273 -0.680) 13.157 10.587 ( -22.146 2.704 3.343) 22.560 10.749 ( 8.479 9.005 2.888) 12.701 11.230 ( 5.829 -2.668 -5.610) 8.519 11.421 ( 9.453 -2.321 3.197) 10.245 11.677 ( 18.844 -5.762 -4.952) 20.318 11.966 ( 2.905 -1.177 8.103) 8.688 12.082 ( -9.276 1.132 2.058) 9.569 13.026 ( 0.047 9.562 -12.587) 15.807 13.271 ( 6.031 0.348 0.592) 6.070 13.463 ( 13.398 -9.976 -3.332) 17.033 13.988 ( 7.337 -4.874 -15.782) 18.074 14.603 ( -3.847 5.138 1.193) 6.529 14.758 ( -9.987 5.923 6.095) 13.114 15.355 ( -4.337 -10.785 0.746) 11.648 15.411 ( -4.958 -4.217 0.609) 6.537 15.600 ( 2.935 -2.266 -3.020) 4.783 15.657 ( 10.759 -5.288 -4.959) 12.973 16.506 ( -4.505 0.924 10.275) 11.257 16.973 ( -3.538 6.304 -8.042) 10.813 17.864 ( 1.014 4.886 4.511) 6.726 17.898 ( -0.886 20.068 0.875) 20.107 19.278 ( 8.704 -15.526 -1.096) 17.833 19.714 ( -2.726 -7.838 -13.569) 15.905 20.777 ( -1.456 0.229 13.876) 13.954 21.252 ( 0.830 5.867 1.273) 6.061 ======================= Grid point 174 (121/160) ======================= q-point: ( 0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -17.128 28.388 0.000) 33.155 3.713 ( -3.178 33.248 0.000) 33.400 4.064 ( -6.425 -3.005 0.000) 7.093 4.947 ( 7.361 3.630 -0.000) 8.208 5.339 ( -15.619 -1.830 0.000) 15.726 5.586 ( -0.153 -6.611 -0.000) 6.613 5.620 ( -2.313 8.734 0.000) 9.035 5.894 ( 11.550 -3.571 -0.000) 12.089 6.276 ( 1.012 31.094 0.000) 31.111 6.506 ( -6.728 2.786 0.000) 7.282 6.630 ( -10.776 11.826 0.000) 15.999 7.433 ( -0.584 24.812 0.000) 24.819 7.459 ( 5.006 -10.065 -0.000) 11.241 9.514 ( -0.809 5.495 0.000) 5.554 9.651 ( -11.475 -11.566 0.000) 16.292 10.420 ( 7.739 -8.089 -0.000) 11.195 10.423 ( 6.831 3.195 -0.000) 7.541 10.639 ( 9.068 -7.076 -0.000) 11.502 10.924 ( 3.694 -8.614 -0.000) 9.373 11.163 ( -15.414 9.540 0.000) 18.128 11.243 ( -8.791 10.517 0.000) 13.708 11.723 ( -1.783 -21.490 -0.000) 21.564 12.043 ( -8.619 3.268 0.000) 9.217 12.243 ( 1.919 0.821 -0.000) 2.087 12.806 ( -3.712 19.292 0.000) 19.646 13.354 ( 6.807 6.642 -0.000) 9.511 13.661 ( 15.462 -2.005 -0.000) 15.591 14.144 ( -3.051 9.742 0.000) 10.209 14.227 ( -4.285 -7.096 -0.000) 8.289 15.140 ( -12.146 8.495 0.000) 14.822 15.183 ( 2.991 -14.325 -0.000) 14.634 15.307 ( -2.661 -4.411 -0.000) 5.151 15.905 ( 0.020 12.834 0.000) 12.834 16.018 ( 0.236 15.168 0.000) 15.169 16.190 ( -6.612 -0.899 0.000) 6.673 16.408 ( -4.425 -7.522 -0.000) 8.727 17.158 ( 3.374 -5.166 -0.000) 6.170 17.237 ( 1.845 12.131 0.000) 12.271 19.722 ( 0.090 10.983 0.000) 10.983 20.543 ( -2.007 3.418 0.000) 3.964 20.824 ( 6.646 -11.927 -0.000) 13.653 21.166 ( 4.761 -7.865 -0.000) 9.194 ======================= Grid point 175 (122/160) ======================= q-point: (-0.19 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 22.665 0.000 2.535) 22.807 3.820 ( 27.953 0.000 -12.891) 30.782 4.473 ( 6.501 0.000 -9.580) 11.578 4.615 ( -8.282 0.000 -11.631) 14.279 4.714 ( -3.932 0.000 -11.907) 12.539 5.141 ( 3.872 -0.000 7.054) 8.047 5.280 ( -3.343 -0.000 1.923) 3.857 5.697 ( 6.804 -0.000 4.896) 8.382 6.275 ( 2.040 0.000 -6.334) 6.655 6.512 ( 37.753 0.000 2.491) 37.835 6.658 ( -3.584 -0.000 3.124) 4.754 8.339 ( -14.549 -0.000 15.764) 21.452 9.221 ( -14.427 0.000 -6.439) 15.799 9.516 ( 6.128 -0.000 3.380) 6.998 9.796 ( 10.092 -0.000 8.666) 13.303 10.250 ( -4.667 -0.000 -0.258) 4.674 10.673 ( -4.392 0.000 -4.473) 6.269 10.741 ( 7.712 0.000 -2.830) 8.215 10.932 ( -1.830 0.000 -13.368) 13.492 10.945 ( -16.826 -0.000 -3.429) 17.172 11.238 ( 18.111 0.000 1.116) 18.146 11.374 ( -2.827 -0.000 1.583) 3.241 11.750 ( 11.201 -0.000 15.381) 19.027 12.459 ( -21.460 -0.000 3.655) 21.769 12.925 ( 19.520 0.000 1.810) 19.604 13.197 ( 1.254 -0.000 1.194) 1.731 13.265 ( 3.797 0.000 -13.187) 13.723 13.692 ( 8.703 0.000 -11.890) 14.735 14.757 ( -4.311 0.000 -4.038) 5.906 15.042 ( -7.519 -0.000 2.555) 7.941 15.231 ( 4.320 0.000 1.355) 4.528 15.302 ( 2.746 -0.000 7.616) 8.096 15.340 ( 12.297 0.000 -1.078) 12.344 15.650 ( -4.557 0.000 -4.795) 6.615 16.599 ( -3.913 -0.000 8.526) 9.382 17.107 ( -3.456 0.000 -8.244) 8.939 17.918 ( -0.652 -0.000 3.959) 4.012 18.222 ( -3.548 -0.000 -1.278) 3.771 18.751 ( 19.108 0.000 7.238) 20.433 19.767 ( -8.164 0.000 -22.709) 24.132 20.840 ( -3.662 -0.000 16.642) 17.040 21.287 ( 1.621 -0.000 1.195) 2.014 ======================= Grid point 177 (123/160) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -4.952 0.000 -36.929) 37.259 2.686 ( -4.832 0.000 -35.431) 35.759 4.291 ( -19.654 0.000 -47.029) 50.971 4.471 ( 5.959 0.000 -8.825) 10.649 4.706 ( 0.322 -0.000 1.027) 1.077 5.216 ( 6.636 0.000 -0.941) 6.702 5.611 ( -13.566 -0.000 3.127) 13.922 5.640 ( -1.433 0.000 -2.423) 2.815 5.980 ( -6.105 -0.000 -0.387) 6.117 6.076 ( 12.678 0.000 -8.498) 15.263 6.425 ( 5.674 0.000 -8.238) 10.003 7.180 ( -11.813 0.000 -16.392) 20.205 8.867 ( -1.926 0.000 -5.998) 6.300 8.881 ( -15.285 -0.000 -3.977) 15.794 9.939 ( -3.950 -0.000 -1.252) 4.144 10.268 ( -8.012 -0.000 2.314) 8.340 10.394 ( -3.416 -0.000 8.503) 9.163 10.842 ( 5.075 0.000 -4.919) 7.068 11.044 ( 0.803 0.000 -1.654) 1.839 11.051 ( 8.543 -0.000 18.685) 20.546 11.384 ( -3.944 0.000 -29.348) 29.612 11.686 ( -3.271 0.000 -29.516) 29.696 11.879 ( 4.631 -0.000 18.672) 19.238 12.137 ( 0.456 -0.000 6.771) 6.786 13.154 ( 3.493 0.000 -10.576) 11.138 13.170 ( 21.251 0.000 0.460) 21.256 13.701 ( 0.037 -0.000 4.784) 4.784 13.710 ( -2.872 0.000 -1.795) 3.386 14.075 ( -9.178 0.000 -9.904) 13.503 14.543 ( -15.565 0.000 -7.695) 17.363 15.181 ( 5.247 -0.000 6.845) 8.624 15.300 ( -0.181 -0.000 1.443) 1.454 15.461 ( -0.138 0.000 -9.896) 9.897 15.838 ( 5.724 -0.000 3.152) 6.535 16.432 ( -7.377 0.000 -5.194) 9.022 16.792 ( -3.728 -0.000 5.769) 6.869 18.039 ( -0.039 0.000 -0.753) 0.754 18.289 ( -4.780 0.000 -21.209) 21.741 18.339 ( 1.857 -0.000 6.770) 7.020 19.978 ( 7.317 -0.000 8.161) 10.960 21.151 ( -0.742 -0.000 4.796) 4.853 21.449 ( 2.353 -0.000 2.314) 3.300 ======================= Grid point 183 (124/160) ======================= q-point: ( 0.42 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -13.207 19.481 0.000) 23.536 4.190 ( -8.621 -0.105 0.000) 8.621 4.296 ( -1.253 14.423 0.000) 14.478 4.804 ( 10.734 0.351 -0.000) 10.739 5.402 ( 2.338 -5.070 -0.000) 5.583 5.445 ( 1.189 -6.233 -0.000) 6.345 5.640 ( 5.017 -2.130 -0.000) 5.451 5.891 ( -13.852 -2.259 0.000) 14.035 6.227 ( -2.908 -9.698 -0.000) 10.125 6.751 ( 5.626 -6.927 -0.000) 8.924 7.268 ( -9.205 27.737 0.000) 29.225 7.372 ( 4.403 8.869 0.000) 9.902 7.973 ( -9.843 17.984 0.000) 20.502 9.619 ( -5.383 1.806 0.000) 5.678 9.783 ( -18.872 -2.659 0.000) 19.059 10.007 ( 9.057 -8.580 -0.000) 12.476 10.163 ( 4.529 -13.094 -0.000) 13.855 10.490 ( 11.831 9.871 -0.000) 15.408 10.912 ( 5.816 10.404 0.000) 11.919 11.138 ( 1.620 -21.494 -0.000) 21.555 11.648 ( -12.591 7.667 0.000) 14.741 11.678 ( -9.656 -0.707 0.000) 9.682 12.147 ( -9.397 -8.095 0.000) 12.403 12.232 ( 5.054 3.751 -0.000) 6.294 13.126 ( 17.588 -8.749 -0.000) 19.644 13.189 ( 8.278 11.621 0.000) 14.267 13.592 ( -9.942 18.929 0.000) 21.381 14.178 ( 4.995 -6.515 -0.000) 8.209 14.386 ( -4.387 6.546 0.000) 7.880 14.802 ( 3.341 -14.360 -0.000) 14.743 15.353 ( -8.778 -0.831 0.000) 8.817 15.511 ( -14.071 0.157 0.000) 14.072 16.042 ( 5.493 -7.089 -0.000) 8.968 16.058 ( 1.871 2.249 0.000) 2.925 16.303 ( -6.650 -2.516 0.000) 7.110 16.539 ( -5.892 9.481 0.000) 11.163 17.084 ( 4.456 9.257 0.000) 10.274 17.469 ( 2.654 13.278 0.000) 13.540 19.838 ( -2.416 0.393 0.000) 2.448 20.327 ( 11.761 -16.925 -0.000) 20.610 20.777 ( -2.739 12.073 0.000) 12.379 20.913 ( 4.289 -8.074 -0.000) 9.143 ======================= Grid point 186 (125/160) ======================= q-point: (-0.46 0.46 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( 12.486 -12.687 -0.000) 17.800 4.308 ( 2.794 8.915 0.000) 9.342 4.476 ( -11.211 -0.111 0.000) 11.212 4.579 ( 12.068 1.598 -0.000) 12.173 5.221 ( -0.431 -7.790 -0.000) 7.802 5.437 ( -3.102 -0.721 0.000) 3.184 5.513 ( 7.926 0.937 -0.000) 7.981 5.530 ( 7.347 -17.868 -0.000) 19.319 6.465 ( 5.076 -5.646 -0.000) 7.592 6.532 ( -14.704 2.436 0.000) 14.904 7.240 ( 24.836 1.667 -0.000) 24.892 7.786 ( -8.866 7.544 0.000) 11.641 8.589 ( -22.933 11.058 0.000) 25.460 9.699 ( 8.927 -3.204 -0.000) 9.485 9.764 ( 6.928 1.557 -0.000) 7.101 10.066 ( -17.154 4.737 0.000) 17.796 10.327 ( -26.059 9.339 0.000) 27.682 10.484 ( 9.888 8.772 -0.000) 13.218 10.683 ( 0.055 -16.380 -0.000) 16.380 11.012 ( 13.544 15.533 -0.000) 20.609 11.622 ( 2.845 -8.400 -0.000) 8.869 11.953 ( 15.684 -13.114 -0.000) 20.444 11.990 ( -2.535 0.211 0.000) 2.544 12.100 ( -15.748 -9.039 0.000) 18.158 12.964 ( 0.900 9.089 0.000) 9.133 13.185 ( 7.644 5.237 -0.000) 9.266 13.714 ( 18.783 -12.449 -0.000) 22.534 14.240 ( -11.881 18.205 0.000) 21.739 14.433 ( 7.456 -12.121 -0.000) 14.231 14.609 ( -8.902 3.536 0.000) 9.578 15.530 ( -9.158 -4.486 0.000) 10.198 15.600 ( -6.152 -10.518 -0.000) 12.185 15.721 ( 7.046 -6.761 -0.000) 9.765 15.869 ( 8.134 -9.065 -0.000) 12.179 16.376 ( -4.989 -0.032 0.000) 4.989 16.863 ( -4.451 10.741 0.000) 11.627 17.408 ( 0.409 22.424 0.000) 22.428 17.668 ( 2.746 10.124 0.000) 10.489 19.702 ( 12.836 -19.717 -0.000) 23.528 19.921 ( -7.061 -0.196 0.000) 7.064 20.689 ( 2.318 -6.052 -0.000) 6.481 21.063 ( -1.218 10.094 0.000) 10.167 ======================= Grid point 188 (126/160) ======================= q-point: (-0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 0.000 -5.761 -24.116) 24.795 3.588 ( 0.000 -8.242 -33.381) 34.384 4.125 ( -0.000 20.941 0.440) 20.945 4.668 ( 0.000 13.589 -8.492) 16.024 5.118 ( 0.000 4.668 -1.825) 5.012 5.212 ( 0.000 -12.534 -7.626) 14.671 5.732 ( 0.000 -5.308 0.230) 5.313 5.827 ( 0.000 -4.061 -1.810) 4.446 6.111 ( 0.000 -6.189 1.241) 6.312 6.428 ( 0.000 -13.691 -22.769) 26.568 7.290 ( 0.000 4.720 -8.714) 9.910 7.291 ( 0.000 -13.178 -11.078) 17.216 8.509 ( -0.000 16.186 6.506) 17.445 9.048 ( 0.000 -8.075 -4.546) 9.266 9.690 ( -0.000 4.708 9.048) 10.199 10.128 ( -0.000 18.816 17.110) 25.432 10.220 ( 0.000 -1.822 -3.239) 3.716 10.693 ( 0.000 -20.285 5.814) 21.101 11.003 ( 0.000 6.083 -5.699) 8.336 11.283 ( 0.000 -10.118 -7.880) 12.825 11.402 ( -0.000 -0.967 20.047) 20.070 11.753 ( 0.000 2.622 -13.252) 13.509 11.873 ( -0.000 2.474 10.520) 10.807 12.435 ( 0.000 8.058 -11.883) 14.358 13.235 ( 0.000 12.116 -14.264) 18.715 13.496 ( 0.000 -5.372 -15.153) 16.077 13.556 ( 0.000 3.883 -3.382) 5.149 13.619 ( -0.000 -10.621 10.614) 15.015 14.338 ( 0.000 3.645 -12.477) 12.998 14.800 ( 0.000 -4.446 -6.750) 8.083 14.891 ( -0.000 3.031 3.488) 4.621 15.249 ( -0.000 -3.170 5.050) 5.962 15.736 ( 0.000 1.935 -9.691) 9.882 15.967 ( 0.000 -4.593 1.237) 4.757 16.537 ( 0.000 0.021 -7.548) 7.548 16.543 ( -0.000 1.082 10.211) 10.269 17.498 ( -0.000 15.083 0.061) 15.083 17.819 ( -0.000 12.231 0.015) 12.231 19.198 ( 0.000 -16.477 -11.334) 19.999 20.470 ( 0.000 -15.967 5.442) 16.869 20.948 ( -0.000 5.255 8.546) 10.032 21.188 ( -0.000 3.890 3.862) 5.482 ======================= Grid point 195 (127/160) ======================= q-point: (-0.34 0.34 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 23.329 -16.633 -0.000) 28.651 3.982 ( 30.078 -1.370 -0.000) 30.109 4.543 ( 5.589 3.732 -0.000) 6.721 4.709 ( -9.455 2.216 0.000) 9.711 5.057 ( -7.632 -13.314 -0.000) 15.346 5.143 ( 5.852 -12.439 -0.000) 13.747 5.287 ( -4.657 -2.003 0.000) 5.070 5.570 ( 5.588 5.532 -0.000) 7.864 6.279 ( 16.287 -2.674 -0.000) 16.505 6.622 ( 3.648 -2.187 -0.000) 4.253 6.642 ( 24.317 -2.241 -0.000) 24.420 8.083 ( -8.766 5.298 0.000) 10.243 9.312 ( -34.997 4.451 0.000) 35.279 9.372 ( 23.510 3.255 -0.000) 23.734 9.680 ( 8.429 2.010 -0.000) 8.665 10.349 ( -2.898 -6.432 -0.000) 7.055 10.485 ( 5.972 8.276 0.000) 10.206 10.815 ( -21.714 9.869 0.000) 23.852 10.953 ( 5.180 13.199 0.000) 14.179 11.123 ( -11.668 8.899 0.000) 14.674 11.205 ( 6.655 -23.904 -0.000) 24.813 11.418 ( 10.448 -5.893 -0.000) 11.996 11.699 ( 9.076 -10.216 -0.000) 13.666 12.432 ( -20.350 -0.944 0.000) 20.372 13.016 ( 19.484 -9.707 -0.000) 21.768 13.149 ( 3.418 1.749 -0.000) 3.840 13.234 ( 7.771 13.437 0.000) 15.522 14.004 ( 8.924 -12.588 -0.000) 15.431 14.710 ( -6.292 9.042 0.000) 11.016 14.913 ( -11.741 5.501 0.000) 12.966 15.275 ( 9.883 -7.709 -0.000) 12.535 15.378 ( 1.194 -11.109 -0.000) 11.173 15.468 ( 11.628 -9.419 -0.000) 14.964 15.720 ( -3.723 -0.724 0.000) 3.792 16.488 ( -5.685 0.617 0.000) 5.718 17.130 ( -3.863 6.348 0.000) 7.431 17.805 ( 0.748 6.683 0.000) 6.724 17.887 ( 1.237 22.742 0.000) 22.775 19.007 ( 14.317 -21.446 -0.000) 25.786 20.085 ( -9.007 0.226 0.000) 9.009 20.600 ( -1.665 -1.807 0.000) 2.457 21.223 ( 0.790 4.603 0.000) 4.671 ======================= Grid point 197 (128/160) ======================= q-point: (-0.34 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( -1.707 -1.207 -30.734) 30.805 3.505 ( -8.572 -11.456 -26.520) 30.134 4.502 ( 2.282 13.101 -5.356) 14.337 4.732 ( 1.356 -4.711 0.336) 4.914 4.992 ( 4.186 -2.591 -13.319) 14.200 5.346 ( -12.221 2.350 -8.377) 15.001 5.615 ( 0.394 -2.886 0.481) 2.952 5.704 ( 7.546 -6.783 -2.248) 10.392 6.009 ( -5.084 6.802 -4.353) 9.543 6.344 ( -7.802 -8.637 -18.714) 22.038 6.834 ( 12.481 -14.153 -12.530) 22.651 7.449 ( -1.508 7.844 -15.568) 17.497 8.817 ( -4.667 8.829 0.628) 10.006 9.047 ( -17.148 -6.666 -4.044) 18.837 9.878 ( -1.830 8.651 13.558) 16.186 10.114 ( -3.854 -8.671 0.150) 9.490 10.352 ( 0.931 -9.943 8.413) 13.058 10.487 ( -1.366 9.853 21.662) 23.837 11.028 ( 3.076 0.544 -4.257) 5.280 11.154 ( -1.873 -5.503 -5.654) 8.109 11.409 ( -3.248 -0.492 16.178) 16.508 11.854 ( 3.171 7.035 -16.339) 18.070 11.932 ( 1.739 4.882 -0.307) 5.192 12.450 ( 3.508 -1.693 -20.396) 20.765 13.124 ( 18.227 -2.759 -0.783) 18.451 13.350 ( 4.782 -0.139 -9.974) 11.062 13.576 ( -0.074 3.946 -0.561) 3.986 13.756 ( -7.925 1.226 -3.018) 8.568 14.422 ( -3.142 -2.527 -17.219) 17.685 14.740 ( -5.596 0.252 -3.052) 6.379 14.961 ( -1.519 0.680 4.813) 5.093 15.219 ( -4.316 -3.920 9.030) 10.748 15.717 ( 2.844 -0.525 -11.610) 11.965 15.832 ( 4.241 -3.920 0.992) 5.860 16.566 ( -2.077 1.043 2.235) 3.224 16.643 ( -4.792 2.390 -2.565) 5.938 17.850 ( -0.666 15.795 -0.638) 15.822 18.049 ( 1.031 9.839 4.374) 10.817 18.899 ( -3.086 -12.944 -17.258) 21.793 20.026 ( 6.650 -17.356 8.154) 20.296 20.987 ( -0.430 0.256 10.330) 10.342 21.324 ( 1.014 6.916 2.064) 7.289 ======================= Grid point 198 (129/160) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 31.920 0.000 -0.000) 31.920 3.293 ( 37.914 0.000 -0.000) 37.914 4.459 ( 6.570 0.000 -0.000) 6.570 4.830 ( 8.987 0.000 -0.000) 8.987 4.861 ( 6.046 0.000 -0.000) 6.046 5.119 ( -12.774 -0.000 0.000) 12.774 5.431 ( -11.268 -0.000 0.000) 11.268 5.508 ( 4.593 0.000 -0.000) 4.593 5.584 ( 33.375 0.000 -0.000) 33.375 6.448 ( 9.197 0.000 -0.000) 9.197 6.480 ( 2.099 0.000 -0.000) 2.099 8.272 ( -2.854 -0.000 0.000) 2.854 8.856 ( 37.809 0.000 -0.000) 37.809 9.491 ( 12.365 0.000 -0.000) 12.365 10.059 ( -36.476 -0.000 0.000) 36.476 10.269 ( 3.189 0.000 -0.000) 3.189 10.617 ( 3.446 0.000 -0.000) 3.446 10.664 ( 0.861 0.000 -0.000) 0.861 10.813 ( 20.130 0.000 -0.000) 20.130 11.124 ( 5.663 0.000 -0.000) 5.663 11.159 ( 12.904 0.000 -0.000) 12.904 11.474 ( -20.487 -0.000 0.000) 20.487 11.758 ( -18.981 -0.000 0.000) 18.981 12.452 ( 23.807 0.000 -0.000) 23.807 12.773 ( -13.898 -0.000 0.000) 13.898 13.166 ( -5.185 -0.000 0.000) 5.185 13.297 ( 8.076 0.000 -0.000) 8.076 13.692 ( 4.159 0.000 -0.000) 4.159 14.819 ( 8.322 0.000 -0.000) 8.322 14.978 ( 11.864 0.000 -0.000) 11.864 15.032 ( 7.788 0.000 -0.000) 7.788 15.245 ( -4.984 -0.000 0.000) 4.984 15.306 ( -8.649 -0.000 0.000) 8.649 15.732 ( 1.230 0.000 -0.000) 1.230 16.603 ( -5.408 -0.000 0.000) 5.408 17.266 ( -3.858 -0.000 0.000) 3.858 17.910 ( -1.993 -0.000 0.000) 1.993 18.258 ( 23.064 0.000 -0.000) 23.064 18.310 ( -3.995 -0.000 0.000) 3.995 20.243 ( -7.455 -0.000 0.000) 7.455 20.641 ( -3.398 -0.000 0.000) 3.398 21.241 ( 1.773 0.000 -0.000) 1.773 ======================= Grid point 200 (130/160) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -2.275 0.000 -23.449) 23.559 3.426 ( -8.690 0.000 -31.275) 32.459 4.503 ( 6.627 0.000 -6.581) 9.339 4.648 ( 4.491 0.000 -2.119) 4.965 4.817 ( 11.523 0.000 -5.897) 12.945 5.439 ( 5.502 0.000 -1.034) 5.598 5.572 ( 6.233 -0.000 5.197) 8.116 5.692 ( -16.721 0.000 -12.732) 21.017 6.009 ( 13.473 0.000 -9.318) 16.381 6.471 ( 5.383 0.000 -8.913) 10.413 6.700 ( -36.843 -0.000 -15.420) 39.940 7.545 ( 1.394 0.000 -7.882) 8.004 9.044 ( -7.591 -0.000 -0.114) 7.592 9.417 ( -26.335 -0.000 -8.044) 27.536 9.978 ( 6.211 -0.000 20.400) 21.324 10.063 ( -6.668 -0.000 -0.825) 6.719 10.273 ( -1.771 -0.000 9.330) 9.496 10.581 ( 0.360 -0.000 14.729) 14.733 10.996 ( 5.101 0.000 -12.879) 13.852 11.033 ( 2.942 0.000 0.340) 2.961 11.537 ( -6.651 -0.000 10.387) 12.334 11.819 ( 6.877 -0.000 6.053) 9.161 11.931 ( 3.754 0.000 -18.450) 18.828 12.378 ( 3.918 0.000 -10.689) 11.384 12.805 ( 9.244 0.000 -8.897) 12.830 13.219 ( 6.032 0.000 -6.512) 8.876 13.532 ( 7.403 0.000 2.692) 7.878 13.843 ( 1.643 0.000 -8.434) 8.592 14.442 ( -5.236 0.000 -10.620) 11.841 14.945 ( 0.453 -0.000 9.292) 9.303 15.016 ( -13.807 0.000 -7.549) 15.736 15.265 ( -6.501 -0.000 7.069) 9.604 15.624 ( 6.291 0.000 -10.716) 12.427 15.679 ( 5.989 0.000 1.929) 6.292 16.651 ( -5.175 -0.000 6.761) 8.515 16.761 ( -3.879 0.000 -6.830) 7.855 18.048 ( 0.196 -0.000 2.168) 2.177 18.151 ( 0.878 -0.000 5.725) 5.792 18.858 ( -7.825 0.000 -21.373) 22.761 19.625 ( 12.370 -0.000 6.323) 13.893 21.015 ( -2.006 -0.000 11.184) 11.363 21.376 ( 1.635 -0.000 1.589) 2.280 ======================= Grid point 201 (131/160) ======================= q-point: ( 0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( 12.757 0.000 -0.000) 12.757 4.234 ( -3.941 -0.000 -0.000) 3.941 4.628 ( 11.620 -0.000 0.000) 11.620 4.689 ( 6.464 0.000 -0.000) 6.464 5.112 ( 6.918 -0.000 -0.000) 6.918 5.292 ( -8.671 0.000 -0.000) 8.671 5.506 ( -3.721 -0.000 -0.000) 3.721 5.591 ( -12.174 -0.000 0.000) 12.174 6.201 ( 4.254 -0.000 -0.000) 4.254 6.313 ( -7.531 0.000 0.000) 7.531 7.609 ( 2.408 0.000 -0.000) 2.408 7.661 ( -3.202 -0.000 0.000) 3.202 8.787 ( 50.271 0.000 0.000) 50.271 9.455 ( -7.655 -0.000 -0.000) 7.655 9.642 ( -0.998 -0.000 0.000) 0.998 9.879 ( -36.701 -0.000 0.000) 36.701 10.587 ( 8.186 -0.000 -0.000) 8.186 10.741 ( -8.646 -0.000 -0.000) 8.646 10.944 ( 16.731 -0.000 0.000) 16.731 11.254 ( -13.008 -0.000 -0.000) 13.008 11.642 ( 8.482 -0.000 0.000) 8.482 11.775 ( -4.907 -0.000 -0.000) 4.907 12.008 ( 8.415 -0.000 -0.000) 8.415 12.170 ( -7.622 0.000 -0.000) 7.622 12.811 ( 0.017 0.000 -0.000) 0.017 12.829 ( -1.594 -0.000 0.000) 1.594 13.667 ( 16.620 -0.000 0.000) 16.620 13.997 ( -16.923 -0.000 -0.000) 16.923 14.493 ( 12.444 -0.000 -0.000) 12.444 14.691 ( -7.604 -0.000 -0.000) 7.604 15.598 ( 9.290 0.000 -0.000) 9.290 15.737 ( -1.319 -0.000 -0.000) 1.319 15.815 ( 0.716 -0.000 -0.000) 0.716 15.844 ( 3.015 0.000 -0.000) 3.015 16.665 ( 4.946 -0.000 -0.000) 4.946 16.818 ( -10.040 0.000 -0.000) 10.040 17.066 ( 2.713 -0.000 -0.000) 2.713 17.108 ( -1.801 0.000 -0.000) 1.801 19.982 ( 11.010 -0.000 -0.000) 11.010 20.224 ( -13.879 0.000 -0.000) 13.879 20.744 ( 5.802 -0.000 -0.000) 5.802 20.864 ( -6.446 -0.000 -0.000) 6.446 ======================= Grid point 209 (132/160) ======================= q-point: ( 0.40 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( -0.000 27.558 2.657) 27.686 3.809 ( 0.000 -4.159 -10.738) 11.515 4.134 ( 0.000 16.270 -15.442) 22.432 4.701 ( 0.000 3.405 -23.562) 23.806 5.100 ( 0.000 1.826 -3.088) 3.587 5.511 ( 0.000 -4.192 -4.030) 5.815 5.758 ( -0.000 -6.726 13.463) 15.050 5.883 ( 0.000 -6.442 -1.065) 6.529 6.246 ( 0.000 -3.017 -5.203) 6.015 6.958 ( 0.000 4.542 -8.883) 9.977 7.057 ( -0.000 14.358 10.063) 17.534 7.409 ( -0.000 11.433 5.551) 12.709 7.956 ( -0.000 12.749 10.481) 16.504 9.285 ( 0.000 -6.023 -4.385) 7.450 9.574 ( -0.000 -2.891 2.904) 4.098 9.935 ( 0.000 -6.751 -15.368) 16.785 10.334 ( 0.000 -0.698 -7.590) 7.622 10.970 ( 0.000 8.028 -4.918) 9.414 10.992 ( -0.000 -6.239 24.690) 25.466 11.031 ( 0.000 -10.809 2.413) 11.075 11.391 ( -0.000 -7.564 10.360) 12.828 11.699 ( -0.000 16.411 1.896) 16.520 11.832 ( 0.000 -7.308 -2.386) 7.688 12.301 ( -0.000 7.059 -2.314) 7.429 13.135 ( 0.000 20.337 -8.758) 22.142 13.516 ( 0.000 4.897 -1.937) 5.266 13.793 ( 0.000 -18.842 3.522) 19.168 14.045 ( 0.000 0.502 -21.593) 21.599 14.132 ( -0.000 11.949 6.088) 13.411 14.912 ( 0.000 -5.535 1.245) 5.673 15.081 ( 0.000 -3.272 -11.516) 11.972 15.212 ( -0.000 -1.542 4.831) 5.071 15.878 ( 0.000 9.844 -15.777) 18.596 16.060 ( 0.000 -3.391 -1.328) 3.642 16.340 ( -0.000 -3.736 10.385) 11.036 16.511 ( -0.000 6.090 6.683) 9.041 17.209 ( -0.000 6.721 2.478) 7.163 17.536 ( -0.000 12.242 1.795) 12.373 19.692 ( 0.000 -7.371 -8.567) 11.302 20.653 ( 0.000 8.591 -4.888) 9.884 20.697 ( -0.000 -11.241 10.013) 15.054 21.092 ( -0.000 -5.848 5.898) 8.306 ======================= Grid point 212 (133/160) ======================= q-point: (-0.49 -0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -6.066 -2.617 -16.852) 18.100 4.152 ( -3.811 19.230 -1.402) 19.654 4.207 ( -3.145 -6.088 -17.040) 18.366 4.828 ( 1.198 1.584 -6.044) 6.362 5.194 ( 1.420 -0.937 -4.831) 5.121 5.444 ( -10.504 0.102 -4.867) 11.577 5.593 ( 1.427 -4.191 5.206) 6.834 5.873 ( 1.436 5.674 0.431) 5.869 5.981 ( 8.198 -12.347 -0.470) 14.828 6.879 ( 3.710 -8.602 -4.608) 10.440 7.294 ( -0.118 0.477 -8.372) 8.387 7.494 ( 0.427 8.834 -11.024) 14.133 8.402 ( -2.472 21.168 7.812) 22.699 9.309 ( -13.161 -5.661 -6.420) 15.700 9.559 ( -4.935 -0.688 6.128) 7.898 9.906 ( -0.089 5.540 4.725) 7.282 10.277 ( 1.160 -5.686 4.749) 7.499 10.603 ( -1.381 -23.000 2.657) 23.194 10.981 ( 6.386 5.932 8.671) 12.294 11.011 ( -5.598 0.249 6.937) 8.918 11.493 ( -7.685 -4.034 -2.368) 8.997 11.736 ( -1.979 -0.273 3.565) 4.086 11.992 ( 4.668 14.108 -11.320) 18.681 12.467 ( 6.610 11.096 -1.558) 13.009 13.245 ( 15.017 -8.049 0.544) 17.047 13.517 ( 6.910 3.730 -3.727) 8.692 13.643 ( -10.302 11.188 -7.921) 17.148 13.970 ( -0.675 -10.065 -17.812) 20.470 14.408 ( -1.323 9.250 5.957) 11.082 14.758 ( 3.517 -3.952 4.611) 7.017 15.069 ( -6.354 -2.901 -7.785) 10.459 15.247 ( -8.262 -5.771 -0.267) 10.081 15.918 ( 3.413 -5.005 -3.867) 7.187 15.980 ( 1.870 -0.901 -9.239) 9.469 16.325 ( -3.007 -0.109 12.537) 12.893 16.677 ( -2.863 7.628 -2.896) 8.647 17.469 ( 0.504 17.515 2.198) 17.659 17.761 ( 0.745 9.298 3.457) 9.948 19.505 ( -1.869 -10.439 -15.934) 19.141 20.253 ( 5.703 -19.322 10.261) 22.608 20.818 ( 0.991 -0.708 3.412) 3.623 21.089 ( 0.372 8.690 4.430) 9.761 ======================= Grid point 221 (134/160) ======================= q-point: (-0.37 -0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 0.997 -6.060 -17.905) 18.929 4.034 ( -7.816 -8.153 -13.668) 17.731 4.563 ( 2.090 12.441 -4.380) 13.354 4.692 ( 1.226 -5.903 -1.109) 6.130 5.012 ( 13.177 -3.866 -8.685) 16.248 5.442 ( 9.707 -6.097 2.379) 11.707 5.491 ( 3.527 -4.725 6.965) 9.125 5.824 ( -1.697 11.072 -9.432) 14.643 6.146 ( -10.459 1.659 -3.093) 11.032 6.539 ( 4.101 -8.398 5.932) 11.069 7.265 ( -9.413 -5.678 -23.702) 26.127 7.650 ( 6.409 6.509 -9.958) 13.513 8.794 ( -1.173 11.190 11.652) 16.197 9.545 ( -18.599 0.832 -4.905) 19.253 9.700 ( -8.596 0.226 1.767) 8.779 10.101 ( 3.642 -1.483 8.485) 9.352 10.200 ( -11.686 0.145 12.296) 16.963 10.254 ( -7.514 -10.247 4.802) 13.584 10.929 ( 9.168 6.946 1.251) 11.570 11.258 ( -6.295 2.292 -2.144) 7.034 11.431 ( -5.722 -7.953 -0.803) 9.831 11.741 ( -1.492 -4.402 5.533) 7.226 12.105 ( 13.423 9.845 -9.859) 19.346 12.321 ( 20.596 1.315 3.856) 20.995 13.047 ( 2.902 7.366 -9.863) 12.648 13.395 ( 6.881 -0.780 -4.397) 8.203 13.646 ( 6.686 -11.955 -7.613) 15.671 14.043 ( -3.928 4.578 -14.074) 15.312 14.582 ( 1.347 6.234 8.248) 10.426 14.628 ( -1.829 0.126 2.322) 2.958 15.202 ( -10.596 -6.854 2.522) 12.869 15.246 ( -9.725 -5.087 -5.417) 12.239 15.706 ( 6.071 -4.479 -0.370) 7.553 15.851 ( 8.869 -1.610 -8.683) 12.515 16.415 ( -4.955 0.494 11.749) 12.761 16.904 ( -3.732 6.427 -8.201) 11.067 17.861 ( -0.913 11.730 1.883) 11.915 17.900 ( 0.806 10.908 4.881) 11.977 19.338 ( -1.412 -10.252 -14.886) 18.130 19.754 ( 5.744 -13.398 1.512) 14.655 20.761 ( -0.294 -1.528 12.393) 12.490 21.269 ( 0.878 6.848 1.460) 7.057 ======================= Grid point 223 (135/160) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -0.000 32.229 0.000) 32.229 3.682 ( -0.000 34.889 0.000) 34.889 3.998 ( 0.000 -4.008 -0.000) 4.008 5.039 ( -0.000 4.680 0.000) 4.680 5.142 ( 0.000 -1.767 -0.000) 1.767 5.583 ( 0.000 -7.851 -0.000) 7.851 5.623 ( -0.000 10.993 0.000) 10.993 6.044 ( 0.000 -6.085 -0.000) 6.085 6.291 ( -0.000 36.680 0.000) 36.680 6.430 ( 0.000 -2.386 -0.000) 2.386 6.490 ( -0.000 17.933 0.000) 17.933 7.434 ( -0.000 23.480 0.000) 23.480 7.507 ( 0.000 -11.703 -0.000) 11.703 9.508 ( -0.000 6.040 0.000) 6.040 9.533 ( 0.000 -11.543 -0.000) 11.543 10.494 ( 0.000 -6.072 -0.000) 6.072 10.514 ( 0.000 -3.464 -0.000) 3.464 10.819 ( -0.000 13.472 0.000) 13.472 10.904 ( 0.000 -22.265 -0.000) 22.265 10.910 ( 0.000 -0.114 -0.000) 0.114 11.203 ( -0.000 19.998 0.000) 19.998 11.703 ( 0.000 -22.854 -0.000) 22.854 11.951 ( -0.000 3.073 0.000) 3.073 12.263 ( -0.000 1.362 0.000) 1.362 12.768 ( -0.000 19.141 0.000) 19.141 13.430 ( -0.000 4.466 0.000) 4.466 13.829 ( -0.000 9.726 0.000) 9.726 14.112 ( -0.000 10.610 0.000) 10.610 14.174 ( 0.000 -18.146 -0.000) 18.146 15.016 ( -0.000 9.443 0.000) 9.443 15.221 ( 0.000 -16.014 -0.000) 16.014 15.270 ( 0.000 -3.307 -0.000) 3.307 15.909 ( -0.000 14.593 0.000) 14.593 16.021 ( -0.000 17.149 0.000) 17.149 16.121 ( 0.000 -0.990 -0.000) 0.990 16.363 ( 0.000 -7.739 -0.000) 7.739 17.190 ( 0.000 -5.076 -0.000) 5.076 17.254 ( -0.000 11.842 0.000) 11.842 19.724 ( -0.000 10.986 0.000) 10.986 20.523 ( -0.000 3.247 0.000) 3.247 20.886 ( 0.000 -11.250 -0.000) 11.250 21.217 ( 0.000 -9.509 -0.000) 9.509 ======================= Grid point 224 (136/160) ======================= q-point: (-0.25 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( 12.785 0.000 -4.195) 13.456 4.120 ( -0.520 0.000 -24.094) 24.100 4.575 ( 2.970 0.000 -9.900) 10.336 4.623 ( 12.938 0.000 -1.695) 13.049 4.675 ( 1.398 0.000 -7.087) 7.224 5.265 ( 2.219 -0.000 3.443) 4.096 5.284 ( 9.742 -0.000 6.223) 11.560 5.866 ( 11.737 0.000 0.047) 11.737 6.228 ( -7.368 0.000 -8.515) 11.260 6.566 ( -5.822 -0.000 -1.360) 5.979 7.138 ( 24.825 0.000 -5.516) 25.431 7.873 ( -28.654 -0.000 -0.155) 28.654 8.953 ( -6.083 -0.000 9.405) 11.201 9.682 ( 4.100 -0.000 4.826) 6.333 9.938 ( 2.050 -0.000 4.710) 5.136 10.104 ( -11.152 -0.000 0.383) 11.158 10.301 ( -21.317 -0.000 -3.404) 21.587 10.597 ( -18.126 -0.000 -2.081) 18.245 10.921 ( 5.588 0.000 0.996) 5.676 11.047 ( 11.810 0.000 -5.174) 12.894 11.535 ( 13.141 0.000 -0.946) 13.175 11.547 ( 8.026 0.000 -2.105) 8.298 11.981 ( 14.335 -0.000 14.423) 20.335 12.084 ( -11.418 -0.000 1.895) 11.574 13.183 ( 8.577 0.000 -1.309) 8.677 13.215 ( -0.104 0.000 -14.798) 14.798 13.364 ( 7.078 0.000 -4.297) 8.280 13.921 ( 13.224 0.000 -12.383) 18.116 14.647 ( -5.373 -0.000 -0.972) 5.460 14.864 ( -9.897 -0.000 6.609) 11.901 15.207 ( -5.099 -0.000 2.292) 5.590 15.362 ( -1.691 -0.000 1.846) 2.504 15.579 ( 0.098 0.000 -3.850) 3.852 15.600 ( 13.695 0.000 -5.127) 14.623 16.516 ( -4.772 -0.000 10.758) 11.769 17.044 ( -3.290 0.000 -9.197) 9.768 17.912 ( 0.040 -0.000 5.689) 5.689 18.162 ( -2.725 -0.000 -0.837) 2.851 19.060 ( 12.485 0.000 4.354) 13.223 19.633 ( -5.062 0.000 -20.821) 21.428 20.780 ( -2.597 -0.000 16.028) 16.238 21.316 ( 1.511 -0.000 1.230) 1.949 ======================= Grid point 227 (137/160) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.000 0.000 -36.057) 36.057 2.639 ( 0.000 0.000 -37.089) 37.089 4.087 ( 0.000 0.000 -56.408) 56.408 4.538 ( 0.000 0.000 -9.477) 9.477 4.701 ( -0.000 -0.000 0.557) 0.557 5.264 ( -0.000 -0.000 2.250) 2.250 5.450 ( 0.000 0.000 -1.885) 1.885 5.625 ( 0.000 0.000 -3.050) 3.050 5.950 ( -0.000 -0.000 6.526) 6.526 6.209 ( 0.000 0.000 -9.443) 9.443 6.525 ( 0.000 0.000 -9.161) 9.161 7.030 ( 0.000 0.000 -21.598) 21.598 8.725 ( 0.000 0.000 -2.037) 2.037 8.854 ( 0.000 0.000 -4.606) 4.606 9.900 ( 0.000 0.000 -1.363) 1.363 10.183 ( -0.000 -0.000 1.119) 1.119 10.348 ( -0.000 -0.000 5.180) 5.180 10.901 ( 0.000 0.000 -3.370) 3.370 11.052 ( 0.000 0.000 -1.238) 1.238 11.135 ( -0.000 -0.000 22.498) 22.498 11.348 ( 0.000 0.000 -30.089) 30.089 11.655 ( 0.000 0.000 -33.299) 33.299 11.929 ( -0.000 -0.000 18.209) 18.209 12.135 ( -0.000 -0.000 9.404) 9.404 13.191 ( 0.000 0.000 -13.566) 13.566 13.555 ( 0.000 0.000 -5.005) 5.005 13.575 ( -0.000 -0.000 14.724) 14.724 13.674 ( -0.000 -0.000 0.471) 0.471 13.934 ( 0.000 0.000 -19.572) 19.572 14.388 ( 0.000 0.000 -7.197) 7.197 15.239 ( -0.000 -0.000 9.814) 9.814 15.301 ( -0.000 -0.000 3.710) 3.710 15.454 ( 0.000 0.000 -13.087) 13.087 15.910 ( -0.000 -0.000 4.618) 4.618 16.344 ( 0.000 0.000 -8.618) 8.618 16.752 ( -0.000 -0.000 5.167) 5.167 18.039 ( 0.000 0.000 -0.556) 0.556 18.244 ( 0.000 0.000 -21.194) 21.194 18.358 ( -0.000 -0.000 6.868) 6.868 20.049 ( -0.000 -0.000 8.191) 8.191 21.144 ( -0.000 -0.000 5.002) 5.002 21.474 ( -0.000 -0.000 3.602) 3.602 ======================= Grid point 233 (138/160) ======================= q-point: ( 0.37 -0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( -10.336 26.213 0.000) 28.177 4.007 ( -8.076 -2.209 0.000) 8.373 4.297 ( 0.192 19.773 0.000) 19.774 4.977 ( 7.039 -0.773 -0.000) 7.082 5.303 ( -13.168 -1.321 0.000) 13.234 5.424 ( -1.535 -8.144 -0.000) 8.287 5.670 ( -2.538 0.016 0.000) 2.539 5.801 ( 8.454 -3.478 -0.000) 9.142 6.277 ( 3.975 -11.169 -0.000) 11.856 6.860 ( 5.530 7.631 0.000) 9.424 7.133 ( -4.907 29.205 0.000) 29.615 7.360 ( -4.178 2.931 0.000) 5.103 7.865 ( -2.831 18.018 0.000) 18.239 9.464 ( -12.953 -5.570 0.000) 14.100 9.555 ( -1.460 -1.804 -0.000) 2.321 10.219 ( 1.705 -14.381 -0.000) 14.482 10.220 ( 12.733 -7.389 -0.000) 14.722 10.748 ( 14.633 9.454 -0.000) 17.422 10.829 ( -12.968 -0.591 0.000) 12.981 11.120 ( -2.557 -20.841 -0.000) 20.997 11.445 ( -13.567 2.375 0.000) 13.773 11.589 ( 4.927 18.620 0.000) 19.260 11.966 ( -8.722 -6.552 0.000) 10.909 12.307 ( 2.449 5.546 0.000) 6.063 13.273 ( -1.730 21.582 0.000) 21.651 13.495 ( 1.729 6.861 0.000) 7.076 13.504 ( 19.865 -12.373 -0.000) 23.404 14.169 ( -5.468 1.343 0.000) 5.631 14.331 ( -1.793 7.824 0.000) 8.027 14.838 ( 0.756 -17.402 -0.000) 17.419 15.244 ( -2.972 -1.956 0.000) 3.558 15.273 ( -9.732 3.416 0.000) 10.314 16.086 ( 1.129 3.870 0.000) 4.032 16.137 ( 4.315 -6.339 -0.000) 7.668 16.184 ( -5.243 -0.708 0.000) 5.291 16.427 ( -5.365 11.753 0.000) 12.920 17.155 ( 2.686 6.738 0.000) 7.254 17.504 ( 1.085 12.266 0.000) 12.314 19.808 ( -0.888 -1.508 -0.000) 1.750 20.509 ( 6.787 -17.825 -0.000) 19.074 20.738 ( -1.371 13.596 0.000) 13.665 20.983 ( 2.831 -9.254 -0.000) 9.677 ======================= Grid point 236 (139/160) ======================= q-point: ( 0.49 -0.49 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( -8.420 -2.054 0.000) 8.667 4.256 ( -5.449 17.277 0.000) 18.116 4.342 ( 2.601 -9.143 -0.000) 9.506 4.790 ( 8.243 -1.917 -0.000) 8.463 5.282 ( 4.912 -6.340 -0.000) 8.021 5.383 ( -2.140 0.113 0.000) 2.143 5.687 ( 8.905 7.876 -0.000) 11.889 5.697 ( 8.574 -14.673 -0.000) 16.995 6.126 ( -23.542 0.533 0.000) 23.548 6.613 ( 11.213 -6.368 -0.000) 12.895 7.581 ( 9.844 9.832 -0.000) 13.913 7.595 ( -9.971 3.468 0.000) 10.556 8.336 ( -5.483 16.916 0.000) 17.782 9.628 ( -12.527 -0.557 0.000) 12.539 9.805 ( -18.442 4.277 0.000) 18.932 9.915 ( 0.499 -10.107 -0.000) 10.119 9.956 ( 3.835 2.714 -0.000) 4.698 10.628 ( -1.014 -16.967 -0.000) 16.997 10.728 ( 10.771 4.412 -0.000) 11.640 11.125 ( -5.630 8.852 0.000) 10.490 11.617 ( -3.118 -5.309 -0.000) 6.157 11.784 ( -6.837 0.279 0.000) 6.843 12.023 ( 0.318 1.798 0.000) 1.826 12.295 ( 15.881 0.761 -0.000) 15.899 13.024 ( 6.847 0.487 -0.000) 6.864 13.368 ( 11.012 5.931 -0.000) 12.507 13.985 ( -14.365 17.302 0.000) 22.488 14.001 ( 11.665 -10.447 -0.000) 15.659 14.498 ( -2.949 4.040 0.000) 5.002 14.540 ( 2.886 -9.786 -0.000) 10.202 15.335 ( -9.212 -0.814 0.000) 9.248 15.428 ( -10.627 -8.335 0.000) 13.505 15.861 ( 6.691 -8.340 -0.000) 10.692 16.013 ( 6.647 -4.355 -0.000) 7.946 16.269 ( -6.284 -0.356 0.000) 6.295 16.778 ( -4.495 11.596 0.000) 12.436 17.421 ( 0.946 20.460 0.000) 20.482 17.705 ( 1.238 8.380 0.000) 8.470 19.808 ( -4.854 -2.087 0.000) 5.283 19.926 ( 10.313 -20.681 -0.000) 23.109 20.740 ( 2.855 -7.819 -0.000) 8.324 21.045 ( -0.675 12.066 0.000) 12.085 ======================= Grid point 247 (140/160) ======================= q-point: (-0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 15.795 -14.109 -0.000) 21.179 4.454 ( 16.701 5.448 -0.000) 17.567 4.476 ( -13.936 0.279 0.000) 13.938 4.646 ( 5.800 3.887 -0.000) 6.982 4.967 ( 0.195 -14.570 -0.000) 14.571 5.274 ( 6.874 -6.848 -0.000) 9.702 5.286 ( 4.204 -5.361 -0.000) 6.812 5.730 ( 11.189 10.689 -0.000) 15.474 6.361 ( 1.059 -4.612 -0.000) 4.732 6.563 ( -11.901 0.622 0.000) 11.917 7.257 ( 31.770 0.287 -0.000) 31.771 7.831 ( -16.141 -0.856 0.000) 16.163 8.793 ( -17.510 7.394 0.000) 19.007 9.639 ( 6.455 -1.864 -0.000) 6.719 9.829 ( 7.244 3.265 -0.000) 7.946 10.156 ( -21.551 0.952 0.000) 21.572 10.377 ( -11.610 -8.090 0.000) 14.151 10.532 ( -28.050 8.496 0.000) 29.308 10.710 ( 10.444 11.137 -0.000) 15.268 11.331 ( 10.467 14.001 0.000) 17.481 11.351 ( 7.337 -16.334 -0.000) 17.906 11.778 ( 25.049 -3.326 -0.000) 25.269 11.834 ( 0.178 -10.714 -0.000) 10.716 12.055 ( -11.513 0.680 0.000) 11.533 13.153 ( 0.623 6.136 0.000) 6.167 13.268 ( 8.399 2.648 -0.000) 8.806 13.514 ( 15.565 -4.527 -0.000) 16.211 14.197 ( 11.030 -9.849 -0.000) 14.787 14.549 ( -9.825 9.785 0.000) 13.867 14.682 ( -11.234 4.575 0.000) 12.130 15.344 ( -5.364 -12.160 -0.000) 13.290 15.403 ( 1.344 -5.469 -0.000) 5.631 15.653 ( -0.776 -1.184 -0.000) 1.415 15.714 ( 13.342 -5.212 -0.000) 14.324 16.382 ( -5.608 0.313 0.000) 5.617 17.062 ( -3.484 7.390 0.000) 8.170 17.813 ( 0.178 3.837 0.000) 3.841 17.886 ( -0.833 21.331 0.000) 21.348 19.274 ( 12.980 -19.638 -0.000) 23.540 19.919 ( -8.314 0.084 0.000) 8.314 20.585 ( 0.108 -3.535 -0.000) 3.536 21.238 ( 0.765 5.995 0.000) 6.044 ======================= Grid point 249 (141/160) ======================= q-point: (-0.40 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 0.000 -2.951 -27.472) 27.630 3.407 ( 0.000 -7.838 -31.331) 32.296 4.524 ( -0.000 15.912 -4.414) 16.513 4.745 ( 0.000 -4.816 -0.366) 4.830 5.031 ( 0.000 -4.006 -21.295) 21.668 5.201 ( -0.000 2.768 -0.110) 2.770 5.615 ( 0.000 -2.013 -0.338) 2.042 5.800 ( 0.000 -2.849 -19.032) 19.244 5.923 ( -0.000 -9.975 6.245) 11.768 6.314 ( 0.000 4.453 -16.927) 17.503 6.972 ( 0.000 -15.978 -11.016) 19.408 7.425 ( 0.000 6.866 -20.555) 21.672 8.775 ( -0.000 8.423 2.954) 8.926 8.865 ( 0.000 -8.112 -3.583) 8.868 9.851 ( -0.000 9.664 11.201) 14.794 10.073 ( 0.000 -9.584 -1.240) 9.664 10.362 ( -0.000 -11.643 8.249) 14.269 10.479 ( -0.000 12.853 25.141) 28.236 11.066 ( -0.000 0.331 0.287) 0.438 11.118 ( 0.000 -5.112 -10.742) 11.896 11.384 ( -0.000 -0.729 18.399) 18.414 11.910 ( 0.000 11.975 -26.449) 29.034 11.924 ( -0.000 1.950 9.969) 10.158 12.486 ( 0.000 -4.696 -25.840) 26.264 13.355 ( -0.000 -6.284 6.846) 9.293 13.425 ( 0.000 5.966 -15.235) 16.362 13.554 ( -0.000 3.784 3.070) 4.873 13.625 ( 0.000 2.383 -4.018) 4.671 14.381 ( 0.000 0.835 -21.889) 21.905 14.667 ( 0.000 -7.659 -8.583) 11.503 14.972 ( -0.000 3.721 10.251) 10.906 15.172 ( -0.000 -3.356 10.794) 11.303 15.746 ( 0.000 -0.083 -13.315) 13.316 15.876 ( -0.000 -3.555 2.373) 4.274 16.568 ( -0.000 1.034 11.416) 11.462 16.568 ( 0.000 2.076 -13.014) 13.178 17.843 ( -0.000 15.803 -0.638) 15.816 18.059 ( -0.000 9.948 4.145) 10.777 18.870 ( 0.000 -13.661 -16.975) 21.789 20.090 ( -0.000 -17.219 8.637) 19.264 20.983 ( -0.000 -0.307 10.385) 10.390 21.335 ( -0.000 7.026 2.375) 7.417 ======================= Grid point 250 (142/160) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 25.714 0.000 -0.000) 25.714 3.970 ( 32.898 0.000 -0.000) 32.898 4.585 ( 6.483 0.000 -0.000) 6.483 4.736 ( -11.405 -0.000 0.000) 11.405 4.905 ( -9.464 -0.000 0.000) 9.464 5.003 ( 9.036 0.000 -0.000) 9.036 5.266 ( -5.434 -0.000 0.000) 5.434 5.635 ( 8.897 0.000 -0.000) 8.897 6.247 ( 18.007 0.000 -0.000) 18.007 6.595 ( 4.964 0.000 -0.000) 4.964 6.618 ( 23.103 0.000 -0.000) 23.103 8.136 ( -12.025 -0.000 0.000) 12.025 9.363 ( -33.883 -0.000 0.000) 33.883 9.419 ( 19.430 0.000 -0.000) 19.430 9.704 ( 9.862 0.000 -0.000) 9.862 10.253 ( -4.361 -0.000 0.000) 4.361 10.711 ( 0.579 0.000 -0.000) 0.579 10.767 ( 13.525 0.000 -0.000) 13.525 10.993 ( -24.595 -0.000 0.000) 24.595 11.133 ( -20.770 -0.000 0.000) 20.770 11.222 ( 22.195 0.000 -0.000) 22.195 11.339 ( 16.592 0.000 -0.000) 16.592 11.552 ( 3.213 0.000 -0.000) 3.213 12.419 ( -21.880 -0.000 0.000) 21.880 12.906 ( 20.608 0.000 -0.000) 20.608 13.168 ( 4.333 0.000 -0.000) 4.333 13.429 ( 5.645 0.000 -0.000) 5.645 13.822 ( 9.978 0.000 -0.000) 9.978 14.802 ( -8.393 -0.000 0.000) 8.393 15.010 ( -9.501 -0.000 0.000) 9.501 15.192 ( 10.217 0.000 -0.000) 10.217 15.233 ( -0.583 -0.000 0.000) 0.583 15.352 ( 14.589 0.000 -0.000) 14.589 15.713 ( -3.143 -0.000 0.000) 3.143 16.495 ( -5.716 -0.000 0.000) 5.716 17.201 ( -3.052 -0.000 0.000) 3.052 17.875 ( -1.607 -0.000 0.000) 1.607 18.235 ( -3.711 -0.000 0.000) 3.711 18.672 ( 19.969 0.000 -0.000) 19.969 20.088 ( -8.606 -0.000 0.000) 8.606 20.581 ( -2.688 -0.000 0.000) 2.688 21.273 ( 1.633 0.000 -0.000) 1.633 ======================= Grid point 252 (143/160) ======================= q-point: (-0.28 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -6.352 0.000 -29.724) 30.395 3.331 ( -1.785 0.000 -27.884) 27.941 4.617 ( 4.985 0.000 -2.978) 5.807 4.708 ( 1.650 0.000 -3.681) 4.034 4.953 ( 3.197 0.000 -17.983) 18.265 5.370 ( -12.889 0.000 -10.018) 16.324 5.589 ( 7.166 0.000 -0.178) 7.168 5.630 ( 0.939 -0.000 3.090) 3.230 6.078 ( -23.661 0.000 -11.224) 26.188 6.306 ( 14.759 0.000 -13.222) 19.816 6.629 ( 7.690 0.000 -13.567) 15.594 7.544 ( -1.991 0.000 -19.351) 19.453 8.912 ( -5.166 -0.000 0.454) 5.186 8.965 ( -19.132 -0.000 -4.181) 19.584 9.964 ( -3.681 -0.000 -1.119) 3.848 10.060 ( 2.056 -0.000 21.224) 21.323 10.205 ( -4.310 -0.000 3.874) 5.795 10.599 ( 1.631 -0.000 23.936) 23.992 11.059 ( 1.405 0.000 -11.888) 11.971 11.061 ( 0.258 0.000 -0.343) 0.429 11.410 ( -4.122 -0.000 17.628) 18.103 11.903 ( 3.434 -0.000 7.279) 8.048 12.069 ( 6.967 0.000 -27.725) 28.587 12.370 ( -2.972 0.000 -26.483) 26.649 13.091 ( 16.573 0.000 4.665) 17.217 13.356 ( 8.322 0.000 -7.708) 11.344 13.638 ( 2.908 0.000 0.066) 2.909 13.769 ( -7.927 0.000 -5.377) 9.578 14.379 ( -1.035 0.000 -17.094) 17.125 14.731 ( -14.496 0.000 -10.800) 18.077 14.986 ( 2.757 -0.000 11.566) 11.890 15.169 ( -3.525 -0.000 11.129) 11.673 15.715 ( 3.174 0.000 -14.164) 14.515 15.785 ( 4.692 -0.000 2.085) 5.134 16.578 ( -2.024 -0.000 3.383) 3.942 16.672 ( -5.177 0.000 -5.189) 7.330 18.047 ( -0.132 -0.000 0.637) 0.651 18.173 ( 1.091 -0.000 8.791) 8.858 18.739 ( -4.396 0.000 -22.838) 23.257 19.811 ( 6.803 -0.000 7.974) 10.482 20.987 ( -0.999 -0.000 11.119) 11.164 21.403 ( 1.150 -0.000 2.137) 2.427 ======================= Grid point 264 (144/160) ======================= q-point: (-0.54 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( 0.000 -2.524 -14.481) 14.700 4.110 ( -0.000 24.489 0.790) 24.502 4.178 ( 0.000 -8.681 -23.451) 25.006 4.841 ( 0.000 3.094 -7.343) 7.969 5.158 ( 0.000 3.226 -1.634) 3.616 5.362 ( 0.000 -4.808 -5.600) 7.381 5.608 ( -0.000 -4.800 5.146) 7.037 5.899 ( -0.000 5.504 -0.840) 5.568 6.086 ( 0.000 -11.606 1.004) 11.649 6.878 ( 0.000 -7.249 -19.655) 20.949 7.410 ( -0.000 18.524 -3.416) 18.836 7.412 ( 0.000 -8.885 -0.096) 8.886 8.379 ( -0.000 22.054 5.119) 22.641 9.165 ( 0.000 -6.726 -6.548) 9.387 9.511 ( -0.000 -1.443 8.271) 8.396 9.916 ( -0.000 2.868 2.747) 3.971 10.284 ( 0.000 -4.643 -2.821) 5.433 10.597 ( 0.000 -22.829 3.662) 23.121 10.896 ( -0.000 -0.860 19.638) 19.657 11.121 ( -0.000 3.741 1.276) 3.952 11.388 ( 0.000 -0.169 -2.501) 2.507 11.706 ( -0.000 -2.501 5.377) 5.931 12.050 ( 0.000 16.985 -13.893) 21.943 12.535 ( -0.000 14.302 0.389) 14.308 13.422 ( -0.000 -14.857 6.433) 16.190 13.500 ( 0.000 13.826 -10.699) 17.482 13.618 ( 0.000 4.462 -2.927) 5.336 13.945 ( 0.000 -10.091 -24.698) 26.680 14.390 ( -0.000 12.114 5.235) 13.197 14.791 ( -0.000 -3.890 10.683) 11.370 15.021 ( 0.000 -2.612 -13.295) 13.549 15.153 ( 0.000 -6.515 0.731) 6.556 15.959 ( 0.000 -5.716 -0.792) 5.771 15.989 ( 0.000 2.078 -12.976) 13.141 16.295 ( -0.000 -0.776 13.400) 13.423 16.647 ( 0.000 7.566 -2.816) 8.074 17.474 ( -0.000 16.786 1.942) 16.898 17.768 ( -0.000 9.155 3.733) 9.886 19.487 ( 0.000 -10.792 -15.969) 19.274 20.309 ( -0.000 -19.750 10.564) 22.398 20.828 ( -0.000 -0.703 2.960) 3.042 21.094 ( -0.000 8.412 4.801) 9.685 ======================= Grid point 274 (145/160) ======================= q-point: (-0.42 -0.41 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( -5.768 -0.828 -18.851) 19.731 3.943 ( -1.699 -12.299 -16.095) 20.327 4.583 ( 0.292 17.603 -2.315) 17.757 4.719 ( 1.419 -7.729 0.359) 7.866 5.199 ( 5.113 -0.188 -7.315) 8.927 5.503 ( -9.211 2.309 -3.077) 9.982 5.547 ( -0.326 -0.733 -0.377) 0.886 5.700 ( 5.601 -10.358 0.997) 11.817 6.076 ( -1.270 10.579 0.351) 10.661 6.682 ( 7.769 -9.204 -9.632) 15.422 7.145 ( -0.479 -8.566 -18.071) 20.004 7.780 ( 3.831 13.295 -15.946) 21.112 8.759 ( -2.246 11.713 4.275) 12.669 9.153 ( -17.666 -8.196 -5.855) 20.336 9.598 ( -4.008 3.705 10.863) 12.157 10.026 ( -4.178 4.450 19.410) 20.348 10.132 ( -2.417 -9.750 1.985) 10.239 10.210 ( 1.799 -10.150 5.886) 11.870 11.026 ( -8.503 0.991 6.413) 10.697 11.092 ( 3.488 3.703 4.489) 6.784 11.366 ( -2.928 -5.784 -8.569) 10.745 11.726 ( -0.183 -0.055 8.895) 8.897 12.337 ( 8.932 15.768 -18.191) 25.677 12.652 ( 12.890 4.010 -0.807) 13.523 13.152 ( 7.325 1.800 -0.588) 7.566 13.533 ( 7.672 -4.095 -10.144) 13.361 13.726 ( 1.391 -7.996 -9.355) 12.385 13.868 ( -11.626 7.545 -9.371) 16.730 14.601 ( 1.629 8.187 7.235) 11.046 14.694 ( 5.028 -2.608 1.617) 5.890 15.008 ( -8.338 -4.425 0.292) 9.444 15.069 ( -8.378 -7.723 -5.749) 12.763 15.805 ( 3.971 -4.401 0.008) 5.928 15.981 ( 4.655 0.716 -11.394) 12.329 16.329 ( -3.595 0.259 13.646) 14.114 16.836 ( -3.048 6.318 -8.610) 11.106 17.846 ( -0.575 13.987 0.999) 14.035 17.914 ( 0.548 7.548 6.814) 10.183 19.292 ( -2.289 -9.209 -19.996) 22.133 19.863 ( 4.504 -15.757 8.367) 18.401 20.761 ( 0.214 -2.634 10.779) 11.098 21.284 ( 0.631 7.385 1.726) 7.610 ======================= Grid point 277 (146/160) ======================= q-point: (-0.31 -0.53 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 4.836 0.000 -11.315) 12.305 3.966 ( -11.215 0.000 -20.937) 23.751 4.600 ( 0.975 0.000 -4.373) 4.481 4.748 ( 4.474 0.000 -5.464) 7.062 4.940 ( 16.029 0.000 -4.526) 16.656 5.359 ( 7.053 -0.000 3.616) 7.926 5.453 ( 7.027 -0.000 5.867) 9.154 5.975 ( -18.897 0.000 -12.206) 22.496 6.167 ( 19.533 0.000 -5.861) 20.394 6.420 ( -9.695 -0.000 8.309) 12.768 7.198 ( -13.498 0.000 -25.027) 28.435 7.725 ( 12.332 0.000 -9.138) 15.349 8.914 ( -0.321 -0.000 12.202) 12.206 9.562 ( -29.527 -0.000 -5.846) 30.100 9.693 ( -1.800 -0.000 6.346) 6.596 10.070 ( -3.083 -0.000 2.293) 3.842 10.091 ( -0.465 -0.000 5.450) 5.470 10.271 ( -14.168 -0.000 14.589) 20.336 11.025 ( 4.671 0.000 0.330) 4.682 11.237 ( 7.155 0.000 -10.378) 12.606 11.370 ( -17.830 -0.000 5.777) 18.743 11.684 ( 2.937 -0.000 6.401) 7.043 12.223 ( 17.918 0.000 -9.938) 20.489 12.334 ( 20.493 0.000 7.158) 21.708 13.208 ( -0.002 0.000 -22.263) 22.263 13.304 ( 5.151 0.000 -1.920) 5.497 13.519 ( 8.384 0.000 -0.620) 8.406 14.087 ( 1.379 0.000 -14.983) 15.046 14.591 ( -0.132 0.000 -1.754) 1.758 14.718 ( -3.530 -0.000 12.897) 13.372 15.063 ( -9.184 -0.000 4.752) 10.340 15.221 ( -10.493 0.000 -6.831) 12.521 15.658 ( 5.758 0.000 0.013) 5.758 15.836 ( 10.596 0.000 -9.055) 13.938 16.420 ( -5.152 -0.000 12.247) 13.287 16.977 ( -3.733 0.000 -9.851) 10.535 17.918 ( 0.493 -0.000 7.492) 7.508 18.119 ( -1.756 -0.000 -0.313) 1.783 19.192 ( 1.327 0.000 -8.047) 8.156 19.609 ( 2.611 0.000 -7.463) 7.907 20.744 ( -1.160 -0.000 14.519) 14.565 21.344 ( 1.312 -0.000 1.355) 1.886 ======================= Grid point 285 (147/160) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -0.000 29.209 0.000) 29.209 3.925 ( 0.000 -2.717 -0.000) 2.717 4.298 ( -0.000 21.269 0.000) 21.269 5.058 ( 0.000 -2.541 -0.000) 2.541 5.133 ( -0.000 0.927 0.000) 0.927 5.408 ( 0.000 -8.259 -0.000) 8.259 5.669 ( 0.000 -1.172 -0.000) 1.172 5.890 ( 0.000 -6.187 -0.000) 6.187 6.320 ( 0.000 -8.385 -0.000) 8.385 6.927 ( -0.000 23.024 0.000) 23.024 7.084 ( -0.000 28.898 0.000) 28.898 7.297 ( 0.000 -8.224 -0.000) 8.224 7.840 ( -0.000 17.925 0.000) 17.925 9.333 ( 0.000 -6.653 -0.000) 6.653 9.545 ( 0.000 -2.743 -0.000) 2.743 10.235 ( 0.000 -14.699 -0.000) 14.699 10.429 ( 0.000 -4.630 -0.000) 4.630 10.602 ( 0.000 -5.687 -0.000) 5.687 11.003 ( 0.000 -6.403 -0.000) 6.403 11.022 ( -0.000 6.621 0.000) 6.621 11.268 ( 0.000 -7.538 -0.000) 7.538 11.676 ( -0.000 24.503 0.000) 24.503 11.860 ( 0.000 -8.662 -0.000) 8.662 12.329 ( -0.000 5.381 0.000) 5.381 13.230 ( -0.000 21.527 0.000) 21.527 13.541 ( -0.000 5.679 0.000) 5.679 13.758 ( 0.000 -20.474 -0.000) 20.474 14.056 ( -0.000 11.585 0.000) 11.585 14.313 ( -0.000 8.334 0.000) 8.334 14.843 ( 0.000 -19.555 -0.000) 19.555 15.176 ( -0.000 4.739 0.000) 4.739 15.219 ( 0.000 -1.544 -0.000) 1.544 16.103 ( 0.000 -0.622 -0.000) 0.622 16.124 ( -0.000 4.681 0.000) 4.681 16.188 ( 0.000 -8.747 -0.000) 8.747 16.365 ( -0.000 15.246 0.000) 15.246 17.181 ( -0.000 6.010 0.000) 6.010 17.514 ( -0.000 11.909 0.000) 11.909 19.800 ( 0.000 -2.281 -0.000) 2.281 20.575 ( 0.000 -18.033 -0.000) 18.033 20.725 ( -0.000 14.184 0.000) 14.184 21.011 ( 0.000 -9.887 -0.000) 9.887 ======================= Grid point 289 (148/160) ======================= q-point: ( 0.43 -0.43 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( -8.708 -1.057 0.000) 8.772 4.151 ( -4.770 23.108 0.000) 23.595 4.413 ( 2.745 -9.148 -0.000) 9.551 4.897 ( 3.469 -6.883 -0.000) 7.708 5.287 ( -6.893 -0.243 0.000) 6.897 5.355 ( -0.843 3.174 0.000) 3.284 5.672 ( -5.848 0.234 0.000) 5.853 5.821 ( 4.717 5.974 0.000) 7.611 5.987 ( 7.013 -15.090 -0.000) 16.640 6.891 ( 16.948 -3.559 -0.000) 17.318 7.426 ( -7.290 1.124 0.000) 7.377 7.599 ( -7.134 17.163 0.000) 18.586 8.307 ( 0.969 22.498 0.000) 22.518 9.430 ( -15.951 2.291 0.000) 16.114 9.443 ( -5.785 -8.514 -0.000) 10.293 9.934 ( 0.805 -12.018 -0.000) 12.045 10.143 ( 11.792 -1.252 -0.000) 11.858 10.580 ( -2.391 -23.623 -0.000) 23.744 10.859 ( -17.421 2.906 0.000) 17.661 10.965 ( 12.255 7.132 -0.000) 14.179 11.513 ( -7.326 2.170 0.000) 7.640 11.703 ( -3.980 -7.685 -0.000) 8.655 12.120 ( 8.301 21.075 0.000) 22.651 12.475 ( 3.902 9.500 0.000) 10.270 13.226 ( 11.740 -11.452 -0.000) 16.401 13.572 ( 9.128 5.755 -0.000) 10.790 13.726 ( -11.408 15.452 0.000) 19.207 14.183 ( 8.149 -5.089 -0.000) 9.608 14.471 ( -0.644 5.384 0.000) 5.423 14.514 ( -5.513 -9.083 -0.000) 10.625 15.219 ( -2.904 -0.563 0.000) 2.958 15.243 ( -7.667 -6.979 0.000) 10.368 15.965 ( 3.935 -8.303 -0.000) 9.188 16.112 ( 3.524 -0.724 -0.000) 3.598 16.151 ( -5.284 -0.667 0.000) 5.326 16.699 ( -3.430 12.455 0.000) 12.919 17.439 ( 0.814 18.460 0.000) 18.478 17.719 ( 0.395 7.508 0.000) 7.519 19.737 ( -2.492 -3.819 -0.000) 4.560 20.083 ( 5.825 -21.996 -0.000) 22.754 20.788 ( 1.946 -8.786 -0.000) 8.998 21.037 ( -0.213 13.339 0.000) 13.341 ======================= Grid point 300 (149/160) ======================= q-point: (-0.45 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( 7.822 -12.748 -0.000) 14.957 4.205 ( -13.525 -1.299 0.000) 13.587 4.589 ( 1.631 13.873 0.000) 13.969 4.722 ( 0.899 -3.842 -0.000) 3.945 5.126 ( 12.914 -8.560 -0.000) 15.494 5.385 ( 4.606 -0.190 -0.000) 4.610 5.424 ( 9.489 -8.986 -0.000) 13.069 5.941 ( 8.348 14.093 0.000) 16.380 6.166 ( -26.517 2.086 0.000) 26.599 6.455 ( 11.097 -9.027 -0.000) 14.305 7.555 ( -11.970 -4.039 0.000) 12.633 7.758 ( 19.767 6.364 -0.000) 20.766 8.631 ( -1.078 9.876 0.000) 9.934 9.614 ( -19.713 -0.279 0.000) 19.715 9.743 ( -5.452 -6.240 0.000) 8.287 9.922 ( -6.728 5.538 0.000) 8.714 10.046 ( -12.847 4.216 0.000) 13.521 10.236 ( -5.434 -14.206 -0.000) 15.210 10.915 ( 10.069 8.306 -0.000) 13.052 11.266 ( -16.302 4.368 0.000) 16.877 11.470 ( 5.121 -7.673 -0.000) 9.225 11.671 ( -7.311 -6.127 0.000) 9.538 12.205 ( 17.426 9.926 -0.000) 20.055 12.270 ( 24.042 -1.929 -0.000) 24.120 13.143 ( -0.853 9.446 0.000) 9.484 13.452 ( 10.508 2.210 -0.000) 10.737 13.745 ( 8.957 -13.181 -0.000) 15.936 14.305 ( -15.484 12.782 0.000) 20.078 14.397 ( 8.935 -4.043 -0.000) 9.807 14.556 ( -1.906 1.448 0.000) 2.394 15.189 ( -9.989 -12.421 -0.000) 15.940 15.321 ( -6.960 -0.488 0.000) 6.977 15.720 ( 5.617 -4.700 -0.000) 7.324 15.950 ( 10.833 -1.468 -0.000) 10.932 16.267 ( -6.441 -0.111 0.000) 6.442 16.993 ( -3.731 8.078 0.000) 8.898 17.814 ( -0.060 2.326 0.000) 2.327 17.867 ( -0.894 19.896 0.000) 19.916 19.487 ( 9.155 -19.436 -0.000) 21.484 19.775 ( -6.583 -0.862 0.000) 6.640 20.602 ( 1.503 -4.840 -0.000) 5.068 21.252 ( 0.740 7.070 0.000) 7.108 ======================= Grid point 304 (150/160) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( 16.579 0.000 -0.000) 16.579 4.481 ( -14.692 -0.000 0.000) 14.692 4.539 ( 26.504 0.000 -0.000) 26.504 4.694 ( 3.563 0.000 -0.000) 3.563 4.766 ( -3.943 -0.000 0.000) 3.943 5.199 ( 10.778 0.000 -0.000) 10.778 5.236 ( 2.216 0.000 -0.000) 2.216 5.862 ( 15.441 0.000 -0.000) 15.441 6.297 ( -3.145 -0.000 0.000) 3.145 6.568 ( -10.113 -0.000 0.000) 10.113 7.260 ( 34.337 0.000 -0.000) 34.337 7.815 ( -19.480 -0.000 0.000) 19.480 8.874 ( -15.911 -0.000 0.000) 15.911 9.622 ( 4.290 0.000 -0.000) 4.290 9.868 ( 7.414 0.000 -0.000) 7.414 10.114 ( -12.515 -0.000 0.000) 12.515 10.342 ( -26.192 -0.000 0.000) 26.192 10.630 ( -28.462 -0.000 0.000) 28.462 10.911 ( 5.851 0.000 -0.000) 5.851 11.080 ( 16.861 0.000 -0.000) 16.861 11.567 ( 5.674 0.000 -0.000) 5.674 11.632 ( 1.948 0.000 -0.000) 1.948 11.750 ( 25.630 0.000 -0.000) 25.630 12.062 ( -6.544 -0.000 0.000) 6.544 13.193 ( 9.867 0.000 -0.000) 9.867 13.296 ( 8.415 0.000 -0.000) 8.415 13.508 ( 2.600 0.000 -0.000) 2.600 14.072 ( 15.320 0.000 -0.000) 15.320 14.631 ( -7.363 -0.000 0.000) 7.363 14.780 ( -14.209 -0.000 0.000) 14.209 15.182 ( -5.720 -0.000 0.000) 5.720 15.343 ( 4.225 0.000 -0.000) 4.225 15.642 ( -2.578 -0.000 0.000) 2.578 15.657 ( 16.101 0.000 -0.000) 16.101 16.385 ( -5.930 -0.000 0.000) 5.930 17.145 ( -2.916 -0.000 0.000) 2.916 17.849 ( -1.136 -0.000 0.000) 1.136 18.171 ( -2.960 -0.000 0.000) 2.960 19.006 ( 14.880 0.000 -0.000) 14.880 19.921 ( -8.676 -0.000 0.000) 8.676 20.546 ( -0.827 -0.000 0.000) 0.827 21.303 ( 1.475 0.000 -0.000) 1.475 ======================= Grid point 306 (151/160) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 0.000 0.000 -28.676) 28.676 3.313 ( 0.000 0.000 -29.214) 29.214 4.673 ( -0.000 -0.000 1.980) 1.980 4.717 ( 0.000 0.000 -7.904) 7.904 4.976 ( 0.000 0.000 -29.716) 29.716 5.227 ( -0.000 -0.000 1.413) 1.413 5.636 ( -0.000 -0.000 1.941) 1.941 5.732 ( 0.000 0.000 -25.038) 25.038 5.793 ( -0.000 -0.000 8.727) 8.727 6.466 ( 0.000 0.000 -15.089) 15.089 6.716 ( 0.000 0.000 -10.659) 10.659 7.512 ( 0.000 0.000 -25.549) 25.549 8.767 ( 0.000 0.000 -1.977) 1.977 8.863 ( -0.000 -0.000 2.172) 2.172 9.927 ( 0.000 0.000 -1.294) 1.294 10.072 ( -0.000 -0.000 19.544) 19.544 10.156 ( -0.000 -0.000 1.496) 1.496 10.622 ( -0.000 -0.000 27.996) 27.996 11.060 ( -0.000 -0.000 0.685) 0.685 11.067 ( 0.000 0.000 -10.774) 10.774 11.376 ( -0.000 -0.000 18.176) 18.176 11.945 ( -0.000 -0.000 9.330) 9.330 12.140 ( 0.000 0.000 -30.133) 30.133 12.329 ( 0.000 0.000 -31.565) 31.565 13.285 ( -0.000 -0.000 11.713) 11.713 13.488 ( 0.000 0.000 -15.472) 15.472 13.634 ( -0.000 -0.000 3.767) 3.767 13.651 ( 0.000 0.000 -4.233) 4.233 14.388 ( 0.000 0.000 -24.716) 24.716 14.557 ( 0.000 0.000 -8.626) 8.626 15.016 ( -0.000 -0.000 12.046) 12.046 15.134 ( -0.000 -0.000 12.734) 12.734 15.745 ( 0.000 0.000 -15.449) 15.449 15.835 ( -0.000 -0.000 2.841) 2.841 16.580 ( -0.000 -0.000 11.786) 11.786 16.594 ( 0.000 0.000 -14.874) 14.874 18.046 ( -0.000 -0.000 0.365) 0.365 18.184 ( -0.000 -0.000 9.592) 9.592 18.697 ( 0.000 0.000 -23.197) 23.197 19.877 ( -0.000 -0.000 8.591) 8.591 20.977 ( -0.000 -0.000 11.055) 11.055 21.415 ( -0.000 -0.000 2.434) 2.434 ======================= Grid point 328 (152/160) ======================= q-point: (-0.48 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( 0.000 -1.077 -16.602) 16.637 3.931 ( 0.000 -11.581 -19.589) 22.757 4.584 ( -0.000 19.696 -1.557) 19.757 4.735 ( 0.000 -8.344 1.077) 8.414 5.213 ( 0.000 1.340 -0.720) 1.521 5.389 ( 0.000 3.218 -14.760) 15.107 5.558 ( -0.000 -0.060 2.743) 2.743 5.801 ( -0.000 -13.760 5.115) 14.680 6.049 ( 0.000 7.006 -3.068) 7.648 6.755 ( 0.000 -2.833 -20.903) 21.094 7.178 ( 0.000 -11.462 -9.129) 14.653 7.801 ( 0.000 17.132 -15.255) 22.940 8.739 ( -0.000 11.140 -1.015) 11.186 8.963 ( 0.000 -11.416 -6.413) 13.093 9.559 ( -0.000 5.163 16.225) 17.027 9.992 ( -0.000 3.455 21.662) 21.936 10.102 ( 0.000 -11.978 -1.555) 12.079 10.236 ( -0.000 -9.703 4.327) 10.624 10.920 ( -0.000 1.992 13.656) 13.801 11.148 ( -0.000 -0.257 2.549) 2.562 11.328 ( 0.000 -3.654 -9.897) 10.550 11.727 ( -0.000 2.554 9.458) 9.797 12.419 ( 0.000 17.386 -21.860) 27.930 12.787 ( 0.000 5.296 -3.168) 6.172 13.244 ( -0.000 -0.294 4.877) 4.886 13.669 ( 0.000 -13.564 -14.948) 20.185 13.689 ( 0.000 2.952 -2.445) 3.833 13.721 ( 0.000 6.406 -12.905) 14.407 14.628 ( -0.000 10.023 4.488) 10.982 14.746 ( -0.000 -1.599 6.383) 6.580 14.942 ( -0.000 -10.951 5.375) 12.199 14.957 ( 0.000 -3.707 -14.810) 15.266 15.846 ( 0.000 -4.359 0.485) 4.386 16.026 ( 0.000 1.684 -12.631) 12.743 16.292 ( -0.000 0.185 14.767) 14.768 16.804 ( 0.000 6.225 -8.975) 10.923 17.841 ( -0.000 14.253 0.845) 14.278 17.920 ( -0.000 6.970 7.343) 10.124 19.269 ( 0.000 -9.295 -20.830) 22.810 19.907 ( -0.000 -16.363 10.002) 19.178 20.764 ( -0.000 -2.989 10.081) 10.514 21.290 ( -0.000 7.542 1.863) 7.769 ======================= Grid point 331 (153/160) ======================= q-point: (-0.36 -0.47 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -8.303 0.000 -18.182) 19.989 3.782 ( 1.325 0.000 -16.040) 16.095 4.621 ( 1.016 0.000 0.290) 1.057 4.818 ( 2.672 0.000 -4.803) 5.496 5.170 ( 7.004 0.000 -5.026) 8.621 5.485 ( 1.845 0.000 -0.658) 1.959 5.545 ( 2.821 -0.000 4.453) 5.272 5.615 ( -11.082 0.000 -6.150) 12.674 6.230 ( -8.999 -0.000 0.461) 9.011 6.553 ( 18.444 0.000 -9.850) 20.909 7.040 ( -3.184 0.000 -23.603) 23.817 7.941 ( 8.332 0.000 -18.951) 20.702 8.888 ( -2.536 -0.000 1.941) 3.194 9.041 ( -22.706 -0.000 -3.011) 22.904 9.654 ( -1.496 -0.000 15.103) 15.177 9.983 ( -3.354 -0.000 -0.737) 3.434 10.084 ( -5.711 -0.000 26.015) 26.635 10.122 ( 0.856 -0.000 3.859) 3.952 11.038 ( -7.374 -0.000 4.492) 8.635 11.133 ( -1.371 -0.000 6.511) 6.654 11.298 ( -0.195 0.000 -11.443) 11.444 11.728 ( 2.533 -0.000 9.353) 9.689 12.553 ( 14.340 0.000 -18.663) 23.536 12.652 ( 11.089 0.000 -0.019) 11.089 13.234 ( 2.695 0.000 -19.458) 19.643 13.410 ( 6.490 0.000 1.699) 6.709 13.660 ( 5.803 0.000 -1.030) 5.894 13.963 ( -11.732 0.000 -12.594) 17.212 14.635 ( 4.166 0.000 -4.483) 6.120 14.734 ( 3.068 -0.000 12.702) 13.067 14.894 ( -7.381 -0.000 8.240) 11.062 15.016 ( -10.181 0.000 -12.740) 16.308 15.756 ( 4.004 0.000 0.665) 4.059 15.992 ( 5.651 0.000 -11.979) 13.245 16.332 ( -3.625 -0.000 14.120) 14.578 16.908 ( -3.137 0.000 -10.669) 11.120 17.928 ( 0.460 -0.000 8.880) 8.892 18.095 ( -0.834 -0.000 0.133) 0.844 19.169 ( -2.045 0.000 -17.944) 18.060 19.681 ( 3.525 -0.000 4.070) 5.384 20.732 ( -0.212 -0.000 12.782) 12.784 21.365 ( 0.820 -0.000 1.546) 1.750 ======================= Grid point 342 (154/160) ======================= q-point: ( 0.38 -0.37 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.885 ( 0.000 -1.181 -0.000) 1.181 4.101 ( -0.000 25.548 0.000) 25.548 4.439 ( 0.000 -8.724 -0.000) 8.724 4.931 ( 0.000 -9.176 -0.000) 9.176 5.174 ( -0.000 2.630 0.000) 2.630 5.348 ( -0.000 4.330 0.000) 4.330 5.643 ( 0.000 -0.843 -0.000) 0.843 5.865 ( -0.000 4.262 0.000) 4.262 6.076 ( 0.000 -14.378 -0.000) 14.378 7.138 ( 0.000 -7.444 -0.000) 7.444 7.349 ( -0.000 0.078 0.000) 0.078 7.442 ( -0.000 25.268 0.000) 25.268 8.325 ( -0.000 25.689 0.000) 25.689 9.267 ( -0.000 0.232 0.000) 0.232 9.394 ( 0.000 -11.337 -0.000) 11.337 9.941 ( 0.000 -12.432 -0.000) 12.432 10.317 ( 0.000 -5.949 -0.000) 5.949 10.556 ( 0.000 -24.139 -0.000) 24.139 10.624 ( -0.000 5.660 0.000) 5.660 11.120 ( -0.000 2.343 0.000) 2.343 11.405 ( -0.000 9.500 0.000) 9.500 11.657 ( 0.000 -9.538 -0.000) 9.538 12.220 ( -0.000 26.332 0.000) 26.332 12.503 ( -0.000 10.939 0.000) 10.939 13.356 ( 0.000 -16.211 -0.000) 16.211 13.599 ( -0.000 10.892 0.000) 10.892 13.676 ( -0.000 8.897 0.000) 8.897 14.306 ( -0.000 11.743 0.000) 11.743 14.401 ( 0.000 -22.131 -0.000) 22.131 14.463 ( -0.000 5.845 0.000) 5.845 15.167 ( 0.000 -6.390 -0.000) 6.390 15.198 ( 0.000 -0.704 -0.000) 0.704 16.004 ( 0.000 -8.346 -0.000) 8.346 16.094 ( 0.000 -0.309 -0.000) 0.309 16.148 ( -0.000 0.001 0.000) 0.001 16.663 ( -0.000 12.895 0.000) 12.895 17.447 ( -0.000 17.686 0.000) 17.686 17.723 ( -0.000 7.248 0.000) 7.248 19.714 ( 0.000 -4.501 -0.000) 4.501 20.140 ( 0.000 -22.585 -0.000) 22.585 20.807 ( 0.000 -9.089 -0.000) 9.089 21.035 ( -0.000 13.771 0.000) 13.771 ======================= Grid point 354 (155/160) ======================= q-point: ( 0.49 0.51 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( -8.628 -0.279 0.000) 8.632 4.115 ( 2.751 -13.947 -0.000) 14.216 4.599 ( -0.068 18.700 0.000) 18.700 4.722 ( -0.292 -7.817 -0.000) 7.822 5.276 ( -0.080 -1.764 -0.000) 1.766 5.450 ( 2.281 3.777 0.000) 4.412 5.606 ( 7.178 -9.778 -0.000) 12.130 5.753 ( -10.648 -2.656 0.000) 10.974 6.021 ( 1.321 10.974 0.000) 11.053 6.765 ( 17.988 -7.301 -0.000) 19.413 7.367 ( -7.606 -3.862 0.000) 8.530 7.979 ( 3.237 16.724 0.000) 17.035 8.694 ( 6.223 12.718 0.000) 14.159 9.224 ( -14.982 -11.051 0.000) 18.617 9.536 ( -19.420 6.454 0.000) 20.465 9.730 ( 0.044 -6.904 -0.000) 6.904 10.111 ( 6.198 -2.174 -0.000) 6.568 10.155 ( -3.030 -14.994 -0.000) 15.297 10.926 ( -15.796 2.812 0.000) 16.045 11.073 ( 6.118 2.840 -0.000) 6.745 11.544 ( 2.634 1.144 -0.000) 2.871 11.549 ( -5.563 -5.571 0.000) 7.873 12.554 ( 16.724 17.516 -0.000) 24.217 12.622 ( 11.743 2.283 -0.000) 11.962 13.143 ( 1.205 6.096 0.000) 6.214 13.642 ( 8.211 1.505 -0.000) 8.348 13.873 ( 4.764 -19.538 -0.000) 20.111 14.012 ( -13.505 10.885 0.000) 17.346 14.510 ( 2.815 3.654 0.000) 4.612 14.557 ( 0.547 2.717 0.000) 2.772 15.010 ( -7.438 -12.859 -0.000) 14.855 15.212 ( -3.731 -0.242 0.000) 3.739 15.815 ( 3.806 -5.337 -0.000) 6.555 16.110 ( 5.080 0.866 -0.000) 5.153 16.151 ( -4.515 -0.057 0.000) 4.515 16.927 ( -2.902 8.497 0.000) 8.979 17.812 ( -0.104 1.674 0.000) 1.678 17.855 ( -0.444 18.811 0.000) 18.817 19.619 ( 4.661 -20.237 -0.000) 20.767 19.676 ( -3.664 -1.828 0.000) 4.095 20.632 ( 1.386 -5.504 -0.000) 5.676 21.265 ( 0.495 7.712 0.000) 7.728 ======================= Grid point 358 (156/160) ======================= q-point: (-0.39 -0.61 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( 8.533 0.000 -0.000) 8.533 4.197 ( -14.408 -0.000 0.000) 14.408 4.659 ( -2.946 -0.000 0.000) 2.946 4.809 ( 3.969 0.000 -0.000) 3.969 4.971 ( 18.434 0.000 -0.000) 18.434 5.334 ( 7.186 0.000 -0.000) 7.186 5.382 ( 7.843 0.000 -0.000) 7.843 6.191 ( -26.471 -0.000 0.000) 26.471 6.226 ( -3.677 -0.000 0.000) 3.677 6.229 ( 22.408 0.000 -0.000) 22.408 7.504 ( -12.397 -0.000 0.000) 12.397 7.829 ( 24.753 0.000 -0.000) 24.753 8.735 ( 0.062 0.000 -0.000) 0.062 9.628 ( -31.475 -0.000 0.000) 31.475 9.656 ( 0.341 0.000 -0.000) 0.341 9.990 ( 5.436 0.000 -0.000) 5.436 10.083 ( -6.565 -0.000 0.000) 6.565 10.094 ( -27.131 -0.000 0.000) 27.131 11.022 ( 5.170 0.000 -0.000) 5.170 11.311 ( -21.050 -0.000 0.000) 21.050 11.365 ( 12.738 0.000 -0.000) 12.738 11.601 ( -4.778 -0.000 0.000) 4.778 12.247 ( 24.442 0.000 -0.000) 24.442 12.324 ( 23.148 0.000 -0.000) 23.148 13.318 ( 4.109 0.000 -0.000) 4.109 13.473 ( 9.815 0.000 -0.000) 9.815 13.531 ( 0.034 0.000 -0.000) 0.034 14.356 ( 13.417 0.000 -0.000) 13.417 14.477 ( -17.233 -0.000 0.000) 17.233 14.558 ( -0.277 -0.000 0.000) 0.277 15.023 ( -10.227 -0.000 0.000) 10.227 15.316 ( -5.480 -0.000 0.000) 5.480 15.670 ( 4.532 0.000 -0.000) 4.532 15.937 ( 12.773 0.000 -0.000) 12.773 16.265 ( -6.635 -0.000 0.000) 6.635 17.085 ( -3.385 -0.000 0.000) 3.385 17.832 ( -0.695 -0.000 0.000) 0.695 18.124 ( -1.973 -0.000 0.000) 1.973 19.236 ( 9.208 0.000 -0.000) 9.208 19.767 ( -7.182 -0.000 0.000) 7.182 20.549 ( 0.921 0.000 -0.000) 0.921 21.329 ( 1.222 0.000 -0.000) 1.222 ======================= Grid point 385 (157/160) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 0.000 0.000 -17.384) 17.384 3.793 ( 0.000 0.000 -17.567) 17.567 4.632 ( -0.000 -0.000 1.815) 1.815 4.845 ( 0.000 0.000 -4.450) 4.450 5.206 ( -0.000 -0.000 0.675) 0.675 5.420 ( 0.000 0.000 -17.396) 17.396 5.570 ( -0.000 -0.000 3.659) 3.659 5.622 ( -0.000 -0.000 7.333) 7.333 6.129 ( 0.000 0.000 -7.871) 7.871 6.754 ( 0.000 0.000 -11.788) 11.788 7.019 ( 0.000 0.000 -18.547) 18.547 8.023 ( 0.000 0.000 -23.444) 23.444 8.800 ( 0.000 0.000 -1.243) 1.243 8.853 ( 0.000 0.000 -3.329) 3.329 9.642 ( -0.000 -0.000 21.094) 21.094 9.950 ( 0.000 0.000 -0.889) 0.889 10.034 ( -0.000 -0.000 28.708) 28.708 10.127 ( -0.000 -0.000 1.183) 1.183 10.945 ( -0.000 -0.000 10.817) 10.817 11.142 ( -0.000 -0.000 2.862) 2.862 11.285 ( 0.000 0.000 -10.275) 10.275 11.759 ( -0.000 -0.000 8.948) 8.948 12.701 ( 0.000 0.000 -23.486) 23.486 12.751 ( 0.000 0.000 -5.431) 5.431 13.272 ( 0.000 0.000 -14.062) 14.062 13.515 ( -0.000 -0.000 7.890) 7.890 13.719 ( 0.000 0.000 -2.373) 2.373 13.791 ( 0.000 0.000 -13.508) 13.508 14.698 ( 0.000 0.000 -3.684) 3.684 14.770 ( -0.000 -0.000 11.464) 11.464 14.827 ( -0.000 -0.000 15.024) 15.024 14.885 ( 0.000 0.000 -22.641) 22.641 15.796 ( -0.000 -0.000 0.950) 0.950 16.047 ( 0.000 0.000 -13.063) 13.063 16.295 ( -0.000 -0.000 15.230) 15.230 16.875 ( 0.000 0.000 -11.218) 11.218 17.933 ( -0.000 -0.000 9.397) 9.397 18.087 ( -0.000 -0.000 0.317) 0.317 19.147 ( 0.000 0.000 -20.107) 20.107 19.717 ( -0.000 -0.000 7.010) 7.010 20.731 ( -0.000 -0.000 12.010) 12.010 21.373 ( -0.000 -0.000 1.647) 1.647 ======================= Grid point 408 (158/160) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( 0.000 -0.275 -0.000) 0.275 4.142 ( 0.000 -13.969 -0.000) 13.969 4.597 ( -0.000 21.024 0.000) 21.024 4.719 ( 0.000 -9.200 -0.000) 9.200 5.221 ( -0.000 1.017 0.000) 1.017 5.472 ( -0.000 4.971 0.000) 4.971 5.635 ( 0.000 -0.097 -0.000) 0.097 5.745 ( 0.000 -15.623 -0.000) 15.623 6.030 ( -0.000 9.216 0.000) 9.216 6.977 ( 0.000 -7.309 -0.000) 7.309 7.289 ( 0.000 -3.318 -0.000) 3.318 7.970 ( -0.000 23.791 0.000) 23.791 8.783 ( -0.000 15.884 0.000) 15.884 9.086 ( 0.000 -16.902 -0.000) 16.902 9.320 ( -0.000 3.820 0.000) 3.820 9.730 ( 0.000 -7.149 -0.000) 7.149 10.125 ( 0.000 -15.137 -0.000) 15.137 10.187 ( 0.000 -5.817 -0.000) 5.817 10.755 ( -0.000 5.320 0.000) 5.320 11.134 ( 0.000 -0.438 -0.000) 0.438 11.490 ( 0.000 -5.754 -0.000) 5.754 11.570 ( -0.000 5.644 0.000) 5.644 12.725 ( -0.000 6.498 0.000) 6.498 12.739 ( -0.000 21.003 0.000) 21.003 13.166 ( -0.000 1.761 0.000) 1.761 13.713 ( -0.000 2.862 0.000) 2.862 13.878 ( -0.000 7.200 0.000) 7.200 13.921 ( 0.000 -22.858 -0.000) 22.858 14.528 ( -0.000 8.554 0.000) 8.554 14.557 ( -0.000 2.997 0.000) 2.997 14.939 ( 0.000 -12.716 -0.000) 12.716 15.180 ( 0.000 -1.151 -0.000) 1.151 15.853 ( 0.000 -5.393 -0.000) 5.393 16.090 ( 0.000 -0.114 -0.000) 0.114 16.171 ( -0.000 1.828 0.000) 1.828 16.896 ( -0.000 8.651 0.000) 8.651 17.811 ( -0.000 1.510 0.000) 1.510 17.850 ( -0.000 18.397 0.000) 18.397 19.640 ( 0.000 -2.227 -0.000) 2.227 19.664 ( 0.000 -20.711 -0.000) 20.711 20.646 ( 0.000 -5.683 -0.000) 5.683 21.270 ( -0.000 7.920 0.000) 7.920 ======================= Grid point 412 (159/160) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.948 ( 3.452 0.000 -0.000) 3.452 3.962 ( -9.362 -0.000 0.000) 9.362 4.621 ( -1.156 -0.000 0.000) 1.156 4.869 ( 2.176 0.000 -0.000) 2.176 5.205 ( 4.504 0.000 -0.000) 4.504 5.470 ( 6.182 0.000 -0.000) 6.182 5.491 ( 3.712 0.000 -0.000) 3.712 5.746 ( -15.200 -0.000 0.000) 15.200 6.169 ( -2.081 -0.000 0.000) 2.081 6.659 ( 20.340 0.000 -0.000) 20.340 7.321 ( -6.975 -0.000 0.000) 6.975 8.190 ( 12.934 0.000 -0.000) 12.934 8.828 ( 8.304 0.000 -0.000) 8.304 9.074 ( -24.338 -0.000 0.000) 24.338 9.623 ( -21.267 -0.000 0.000) 21.267 9.655 ( -0.195 -0.000 0.000) 0.195 9.991 ( -3.232 -0.000 0.000) 3.232 10.076 ( 3.576 0.000 -0.000) 3.576 10.958 ( -14.229 -0.000 0.000) 14.229 11.099 ( 2.780 0.000 -0.000) 2.780 11.489 ( -5.707 -0.000 0.000) 5.707 11.559 ( 7.317 0.000 -0.000) 7.317 12.623 ( 13.953 0.000 -0.000) 13.953 12.759 ( 20.440 0.000 -0.000) 20.440 13.370 ( 1.616 0.000 -0.000) 1.616 13.522 ( -0.701 -0.000 0.000) 0.701 13.653 ( 8.276 0.000 -0.000) 8.276 14.145 ( -16.330 -0.000 0.000) 16.330 14.557 ( 7.322 0.000 -0.000) 7.322 14.585 ( 1.490 0.000 -0.000) 1.490 14.838 ( -7.575 -0.000 0.000) 7.575 15.209 ( -4.643 -0.000 0.000) 4.643 15.756 ( 3.698 0.000 -0.000) 3.698 16.128 ( 6.978 0.000 -0.000) 6.978 16.145 ( -5.357 -0.000 0.000) 5.357 17.024 ( -2.729 -0.000 0.000) 2.729 17.822 ( -0.323 -0.000 0.000) 0.323 18.096 ( -0.961 -0.000 0.000) 0.961 19.362 ( 4.233 0.000 -0.000) 4.233 19.658 ( -4.092 -0.000 0.000) 4.092 20.572 ( 1.161 0.000 -0.000) 1.161 21.348 ( 0.726 0.000 -0.000) 0.726 ======================= Grid point 468 (160/160) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( -0.000 -0.000 0.000) 0.000 3.980 ( 0.000 0.000 -0.000) 0.000 4.611 ( 0.000 0.000 -0.000) 0.000 4.890 ( 0.000 0.000 -0.000) 0.000 5.199 ( 0.000 0.000 -0.000) 0.000 5.526 ( 0.000 0.000 -0.000) 0.000 5.539 ( 0.000 0.000 -0.000) 0.000 5.634 ( -0.000 -0.000 0.000) 0.000 6.149 ( 0.000 0.000 -0.000) 0.000 6.883 ( 0.000 0.000 -0.000) 0.000 7.251 ( -0.000 -0.000 0.000) 0.000 8.315 ( -0.000 -0.000 0.000) 0.000 8.813 ( 0.000 0.000 -0.000) 0.000 8.955 ( 0.000 0.000 -0.000) 0.000 9.373 ( 0.000 0.000 -0.000) 0.000 9.653 ( 0.000 0.000 -0.000) 0.000 9.960 ( 0.000 0.000 -0.000) 0.000 10.114 ( 0.000 0.000 -0.000) 0.000 10.815 ( 0.000 0.000 -0.000) 0.000 11.125 ( 0.000 0.000 -0.000) 0.000 11.428 ( 0.000 0.000 -0.000) 0.000 11.631 ( 0.000 0.000 -0.000) 0.000 12.757 ( 0.000 0.000 -0.000) 0.000 12.991 ( 0.000 0.000 -0.000) 0.000 13.385 ( 0.000 0.000 -0.000) 0.000 13.514 ( -0.000 -0.000 0.000) 0.000 13.743 ( 0.000 0.000 -0.000) 0.000 13.955 ( 0.000 0.000 -0.000) 0.000 14.587 ( 0.000 0.000 -0.000) 0.000 14.628 ( 0.000 0.000 -0.000) 0.000 14.773 ( 0.000 0.000 -0.000) 0.000 15.162 ( 0.000 0.000 -0.000) 0.000 15.794 ( 0.000 0.000 -0.000) 0.000 16.088 ( 0.000 0.000 -0.000) 0.000 16.196 ( 0.000 0.000 -0.000) 0.000 16.995 ( 0.000 0.000 -0.000) 0.000 17.819 ( 0.000 0.000 -0.000) 0.000 18.087 ( 0.000 0.000 -0.000) 0.000 19.402 ( 0.000 0.000 -0.000) 0.000 19.618 ( -0.000 -0.000 0.000) 0.000 20.584 ( 0.000 0.000 -0.000) 0.000 21.355 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/36288 10.0 5922.796 3144.444 1872.309 0.000 -0.000 0.000 3/36288 20.0 4582.489 3068.073 4616.841 -0.000 -0.000 0.000 3/36288 30.0 2138.956 1643.127 2323.774 -0.000 -0.000 -0.000 3/36288 40.0 1055.904 918.643 1127.037 -0.000 -0.000 -0.000 3/36288 50.0 636.406 583.299 671.432 -0.000 -0.000 -0.000 3/36288 60.0 434.181 405.223 452.071 -0.000 -0.000 -0.000 3/36288 70.0 317.524 297.395 325.289 -0.000 -0.000 -0.000 3/36288 80.0 242.517 226.457 243.977 -0.000 -0.000 -0.000 3/36288 90.0 191.187 177.511 188.811 -0.000 -0.000 -0.000 3/36288 100.0 154.655 142.664 150.054 -0.000 -0.000 -0.000 3/36288 110.0 127.902 117.229 122.088 -0.000 -0.000 -0.000 3/36288 120.0 107.840 98.247 101.431 0.000 -0.000 -0.000 3/36288 130.0 92.478 83.789 85.841 0.000 -0.000 -0.000 3/36288 140.0 80.490 72.566 73.839 0.000 -0.000 -0.000 3/36288 150.0 70.970 63.698 64.427 0.000 -0.000 -0.000 3/36288 160.0 63.289 56.578 56.920 0.000 -0.000 -0.000 3/36288 170.0 57.001 50.775 50.840 0.000 -0.000 -0.000 3/36288 180.0 51.784 45.982 45.844 0.000 -0.000 -0.000 3/36288 190.0 47.403 41.973 41.687 0.000 -0.000 -0.000 3/36288 200.0 43.683 38.583 38.187 0.000 -0.000 -0.000 3/36288 210.0 40.493 35.685 35.208 0.000 -0.000 -0.000 3/36288 220.0 37.732 33.186 32.649 0.000 -0.000 -0.000 3/36288 230.0 35.323 31.012 30.430 0.000 -0.000 -0.000 3/36288 240.0 33.203 29.106 28.491 0.000 -0.000 -0.000 3/36288 250.0 31.327 27.423 26.784 0.000 -0.000 -0.000 3/36288 260.0 29.654 25.926 25.271 0.000 -0.000 -0.000 3/36288 270.0 28.155 24.588 23.922 0.000 -0.000 -0.000 3/36288 280.0 26.804 23.385 22.712 0.000 -0.000 -0.000 3/36288 290.0 25.581 22.298 21.621 0.000 -0.000 -0.000 3/36288 300.0 24.468 21.310 20.632 0.000 -0.000 -0.000 3/36288 310.0 23.451 20.410 19.732 0.000 -0.000 -0.000 3/36288 320.0 22.518 19.585 18.911 0.000 -0.000 -0.000 3/36288 330.0 21.659 18.827 18.157 0.000 -0.000 -0.000 3/36288 340.0 20.866 18.128 17.463 0.000 -0.000 -0.000 3/36288 350.0 20.132 17.481 16.822 0.000 -0.000 -0.000 3/36288 360.0 19.449 16.881 16.228 0.000 -0.000 -0.000 3/36288 370.0 18.814 16.323 15.677 0.000 -0.000 -0.000 3/36288 380.0 18.220 15.802 15.163 0.000 -0.000 -0.000 3/36288 390.0 17.664 15.315 14.683 0.000 -0.000 -0.000 3/36288 400.0 17.143 14.858 14.234 0.000 -0.000 -0.000 3/36288 410.0 16.652 14.429 13.813 0.000 -0.000 -0.000 3/36288 420.0 16.191 14.025 13.417 0.000 -0.000 -0.000 3/36288 430.0 15.755 13.644 13.044 0.000 -0.000 -0.000 3/36288 440.0 15.343 13.284 12.692 0.000 -0.000 -0.000 3/36288 450.0 14.953 12.944 12.360 0.000 -0.000 -0.000 3/36288 460.0 14.583 12.621 12.045 0.000 -0.000 -0.000 3/36288 470.0 14.232 12.315 11.747 0.000 -0.000 -0.000 3/36288 480.0 13.898 12.024 11.463 0.000 -0.000 -0.000 3/36288 490.0 13.579 11.746 11.194 0.000 -0.000 -0.000 3/36288 500.0 13.276 11.482 10.937 0.000 -0.000 -0.000 3/36288 510.0 12.986 11.230 10.692 0.000 -0.000 -0.000 3/36288 520.0 12.710 10.989 10.459 0.000 -0.000 -0.000 3/36288 530.0 12.445 10.759 10.236 0.000 -0.000 -0.000 3/36288 540.0 12.191 10.539 10.022 0.000 -0.000 -0.000 3/36288 550.0 11.948 10.327 9.818 0.000 -0.000 -0.000 3/36288 560.0 11.715 10.125 9.622 0.000 -0.000 -0.000 3/36288 570.0 11.491 9.930 9.434 0.000 -0.000 -0.000 3/36288 580.0 11.276 9.743 9.254 0.000 -0.000 -0.000 3/36288 590.0 11.069 9.563 9.080 0.000 -0.000 -0.000 3/36288 600.0 10.869 9.390 8.913 0.000 -0.000 -0.000 3/36288 610.0 10.677 9.224 8.753 0.000 -0.000 -0.000 3/36288 620.0 10.492 9.063 8.598 0.000 -0.000 -0.000 3/36288 630.0 10.313 8.908 8.449 0.000 -0.000 -0.000 3/36288 640.0 10.141 8.758 8.305 0.000 -0.000 -0.000 3/36288 650.0 9.974 8.614 8.166 0.000 -0.000 -0.000 3/36288 660.0 9.813 8.474 8.032 0.000 -0.000 -0.000 3/36288 670.0 9.657 8.339 7.902 0.000 -0.000 -0.000 3/36288 680.0 9.506 8.208 7.777 0.000 -0.000 -0.000 3/36288 690.0 9.360 8.081 7.655 0.000 -0.000 -0.000 3/36288 700.0 9.219 7.959 7.538 0.000 -0.000 -0.000 3/36288 710.0 9.081 7.840 7.424 0.000 -0.000 -0.000 3/36288 720.0 8.948 7.724 7.313 0.000 -0.000 -0.000 3/36288 730.0 8.819 7.613 7.206 0.000 -0.000 -0.000 3/36288 740.0 8.694 7.504 7.102 0.000 -0.000 -0.000 3/36288 750.0 8.572 7.398 7.002 0.000 -0.000 -0.000 3/36288 760.0 8.454 7.296 6.904 0.000 -0.000 -0.000 3/36288 770.0 8.339 7.196 6.808 0.000 -0.000 -0.000 3/36288 780.0 8.227 7.100 6.716 0.000 -0.000 -0.000 3/36288 790.0 8.118 7.005 6.626 0.000 -0.000 -0.000 3/36288 800.0 8.012 6.914 6.538 0.000 -0.000 -0.000 3/36288 810.0 7.909 6.824 6.453 0.000 -0.000 -0.000 3/36288 820.0 7.808 6.737 6.370 0.000 -0.000 -0.000 3/36288 830.0 7.710 6.653 6.289 0.000 -0.000 -0.000 3/36288 840.0 7.615 6.570 6.210 0.000 -0.000 -0.000 3/36288 850.0 7.522 6.489 6.134 0.000 -0.000 -0.000 3/36288 860.0 7.431 6.411 6.059 0.000 -0.000 -0.000 3/36288 870.0 7.343 6.334 5.986 0.000 -0.000 -0.000 3/36288 880.0 7.256 6.260 5.915 0.000 -0.000 -0.000 3/36288 890.0 7.172 6.187 5.845 0.000 -0.000 -0.000 3/36288 900.0 7.089 6.115 5.777 0.000 -0.000 -0.000 3/36288 910.0 7.009 6.046 5.711 0.000 -0.000 -0.000 3/36288 920.0 6.930 5.978 5.646 0.000 -0.000 -0.000 3/36288 930.0 6.853 5.911 5.583 0.000 -0.000 -0.000 3/36288 940.0 6.778 5.846 5.521 0.000 -0.000 -0.000 3/36288 950.0 6.705 5.783 5.461 0.000 -0.000 -0.000 3/36288 960.0 6.633 5.720 5.402 0.000 -0.000 -0.000 3/36288 970.0 6.562 5.660 5.344 0.000 -0.000 -0.000 3/36288 980.0 6.493 5.600 5.287 0.000 -0.000 -0.000 3/36288 990.0 6.426 5.542 5.232 0.000 -0.000 -0.000 3/36288 1000.0 6.360 5.485 5.178 0.000 -0.000 -0.000 3/36288 Thermal conductivity related properties were written into "kappa-m16144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:34:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|