----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:45:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.668962839087245 0.000000000000000 0.000000000000000 b -3.334481419543622 5.775491235543947 0.000000000000000 c 0.000000000000000 0.000000000000000 7.265674810000000 Atomic positions (fractional): *1 S 0.10022021714787 0.76008848398587 0.78181621169586 32.065 2 S 0.34013173316200 0.10022021714787 0.21818378830414 32.065 3 S 0.89977978285213 0.23991151601413 0.21818378830414 32.065 4 S 0.76008848398587 0.65986826683800 0.21818378830414 32.065 5 S 0.23991151601413 0.34013173316200 0.78181621169586 32.065 6 S 0.65986826683800 0.89977978285213 0.78181621169586 32.065 *7 K 0.33333333333333 0.66666666666667 0.40880019598213 39.098 8 K 0.66666666666667 0.33333333333333 0.59119980401787 39.098 *9 As 0.33333333333333 0.66666666666667 0.94316834498063 74.922 10 As 0.66666666666667 0.33333333333333 0.05683165501937 74.922 *11 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.668962839087245 0.000000000000000 0.000000000000000 b -3.334481419543622 5.775491235543947 0.000000000000000 c 0.000000000000000 0.000000000000000 7.265674810000000 Atomic positions (fractional): *1 S 0.10022021714787 0.76008848398587 0.78181621169586 32.065 > 1 2 S 0.34013173316200 0.10022021714787 0.21818378830414 32.065 > 2 3 S 0.89977978285213 0.23991151601413 0.21818378830414 32.065 > 3 4 S 0.76008848398587 0.65986826683800 0.21818378830414 32.065 > 4 5 S 0.23991151601413 0.34013173316200 0.78181621169586 32.065 > 5 6 S 0.65986826683800 0.89977978285213 0.78181621169586 32.065 > 6 *7 K 0.33333333333333 0.66666666666667 0.40880019598213 39.098 > 7 8 K 0.66666666666667 0.33333333333333 0.59119980401787 39.098 > 8 *9 As 0.33333333333333 0.66666666666667 0.94316834498063 74.922 > 9 10 As 0.66666666666667 0.33333333333333 0.05683165501937 74.922 > 10 *11 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 11 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.337925678174489 0.000000000000000 0.000000000000000 b -6.668962839087244 11.550982471087893 0.000000000000000 c 0.000000000000000 0.000000000000000 14.531349620000000 Atomic positions (fractional): *1 S 0.05011010857393 0.38004424199293 0.39090810584793 32.065 > 1 2 S 0.55011010857393 0.38004424199293 0.39090810584793 32.065 > 1 3 S 0.05011010857393 0.88004424199293 0.39090810584793 32.065 > 1 4 S 0.55011010857393 0.88004424199293 0.39090810584793 32.065 > 1 5 S 0.05011010857393 0.38004424199293 0.89090810584793 32.065 > 1 6 S 0.55011010857393 0.38004424199293 0.89090810584793 32.065 > 1 7 S 0.05011010857393 0.88004424199293 0.89090810584793 32.065 > 1 8 S 0.55011010857393 0.88004424199293 0.89090810584793 32.065 > 1 9 S 0.17006586658100 0.05011010857393 0.10909189415207 32.065 > 2 10 S 0.67006586658100 0.05011010857393 0.10909189415207 32.065 > 2 11 S 0.17006586658100 0.55011010857393 0.10909189415207 32.065 > 2 12 S 0.67006586658100 0.55011010857393 0.10909189415207 32.065 > 2 13 S 0.17006586658100 0.05011010857393 0.60909189415207 32.065 > 2 14 S 0.67006586658100 0.05011010857393 0.60909189415207 32.065 > 2 15 S 0.17006586658100 0.55011010857393 0.60909189415207 32.065 > 2 16 S 0.67006586658100 0.55011010857393 0.60909189415207 32.065 > 2 17 S 0.44988989142607 0.11995575800707 0.10909189415207 32.065 > 3 18 S 0.94988989142607 0.11995575800707 0.10909189415207 32.065 > 3 19 S 0.44988989142607 0.61995575800707 0.10909189415207 32.065 > 3 20 S 0.94988989142607 0.61995575800707 0.10909189415207 32.065 > 3 21 S 0.44988989142607 0.11995575800707 0.60909189415207 32.065 > 3 22 S 0.94988989142607 0.11995575800707 0.60909189415207 32.065 > 3 23 S 0.44988989142607 0.61995575800707 0.60909189415207 32.065 > 3 24 S 0.94988989142607 0.61995575800707 0.60909189415207 32.065 > 3 25 S 0.38004424199293 0.32993413341900 0.10909189415207 32.065 > 4 26 S 0.88004424199293 0.32993413341900 0.10909189415207 32.065 > 4 27 S 0.38004424199293 0.82993413341900 0.10909189415207 32.065 > 4 28 S 0.88004424199293 0.82993413341900 0.10909189415207 32.065 > 4 29 S 0.38004424199293 0.32993413341900 0.60909189415207 32.065 > 4 30 S 0.88004424199293 0.32993413341900 0.60909189415207 32.065 > 4 31 S 0.38004424199293 0.82993413341900 0.60909189415207 32.065 > 4 32 S 0.88004424199293 0.82993413341900 0.60909189415207 32.065 > 4 33 S 0.11995575800707 0.17006586658100 0.39090810584793 32.065 > 5 34 S 0.61995575800707 0.17006586658100 0.39090810584793 32.065 > 5 35 S 0.11995575800707 0.67006586658100 0.39090810584793 32.065 > 5 36 S 0.61995575800707 0.67006586658100 0.39090810584793 32.065 > 5 37 S 0.11995575800707 0.17006586658100 0.89090810584793 32.065 > 5 38 S 0.61995575800707 0.17006586658100 0.89090810584793 32.065 > 5 39 S 0.11995575800707 0.67006586658100 0.89090810584793 32.065 > 5 40 S 0.61995575800707 0.67006586658100 0.89090810584793 32.065 > 5 41 S 0.32993413341900 0.44988989142607 0.39090810584793 32.065 > 6 42 S 0.82993413341900 0.44988989142607 0.39090810584793 32.065 > 6 43 S 0.32993413341900 0.94988989142607 0.39090810584793 32.065 > 6 44 S 0.82993413341900 0.94988989142607 0.39090810584793 32.065 > 6 45 S 0.32993413341900 0.44988989142607 0.89090810584793 32.065 > 6 46 S 0.82993413341900 0.44988989142607 0.89090810584793 32.065 > 6 47 S 0.32993413341900 0.94988989142607 0.89090810584793 32.065 > 6 48 S 0.82993413341900 0.94988989142607 0.89090810584793 32.065 > 6 *49 K 0.16666666666667 0.33333333333333 0.20440009799106 39.098 > 7 50 K 0.66666666666667 0.33333333333333 0.20440009799106 39.098 > 7 51 K 0.16666666666667 0.83333333333333 0.20440009799106 39.098 > 7 52 K 0.66666666666667 0.83333333333333 0.20440009799106 39.098 > 7 53 K 0.16666666666667 0.33333333333333 0.70440009799106 39.098 > 7 54 K 0.66666666666667 0.33333333333333 0.70440009799106 39.098 > 7 55 K 0.16666666666667 0.83333333333333 0.70440009799106 39.098 > 7 56 K 0.66666666666667 0.83333333333333 0.70440009799106 39.098 > 7 57 K 0.33333333333333 0.16666666666667 0.29559990200894 39.098 > 8 58 K 0.83333333333333 0.16666666666667 0.29559990200894 39.098 > 8 59 K 0.33333333333333 0.66666666666667 0.29559990200894 39.098 > 8 60 K 0.83333333333333 0.66666666666667 0.29559990200894 39.098 > 8 61 K 0.33333333333333 0.16666666666667 0.79559990200894 39.098 > 8 62 K 0.83333333333333 0.16666666666667 0.79559990200894 39.098 > 8 63 K 0.33333333333333 0.66666666666667 0.79559990200894 39.098 > 8 64 K 0.83333333333333 0.66666666666667 0.79559990200894 39.098 > 8 *65 As 0.16666666666667 0.33333333333333 0.47158417249031 74.922 > 9 66 As 0.66666666666667 0.33333333333333 0.47158417249031 74.922 > 9 67 As 0.16666666666667 0.83333333333333 0.47158417249031 74.922 > 9 68 As 0.66666666666667 0.83333333333333 0.47158417249031 74.922 > 9 69 As 0.16666666666667 0.33333333333333 0.97158417249031 74.922 > 9 70 As 0.66666666666667 0.33333333333333 0.97158417249031 74.922 > 9 71 As 0.16666666666667 0.83333333333333 0.97158417249031 74.922 > 9 72 As 0.66666666666667 0.83333333333333 0.97158417249031 74.922 > 9 73 As 0.33333333333333 0.16666666666667 0.02841582750969 74.922 > 10 74 As 0.83333333333333 0.16666666666667 0.02841582750969 74.922 > 10 75 As 0.33333333333333 0.66666666666667 0.02841582750969 74.922 > 10 76 As 0.83333333333333 0.66666666666667 0.02841582750969 74.922 > 10 77 As 0.33333333333333 0.16666666666667 0.52841582750969 74.922 > 10 78 As 0.83333333333333 0.16666666666667 0.52841582750969 74.922 > 10 79 As 0.33333333333333 0.66666666666667 0.52841582750969 74.922 > 10 80 As 0.83333333333333 0.66666666666667 0.52841582750969 74.922 > 10 *81 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 11 82 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 11 83 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 11 84 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 11 85 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 11 86 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 11 87 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 11 88 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 11 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5070745 -0.0000002 0.0000000 0.0000002 7.5070745 0.0000000 0.0000000 0.0000000 3.9456944 -------------------------- Born effective charges -------------------------- 1 S -2.6871297 0.4569724 -0.2713732 0.5094368 -1.7342620 -0.0103096 0.0468936 -0.0936143 -1.1094632 2 S -2.3909464 -0.6804383 0.1267582 -0.6279739 -2.0304453 0.2401709 -0.1045191 0.0061961 -1.1094632 3 S -2.6871297 0.4569724 -0.2713732 0.5094368 -1.7342620 -0.0103096 0.0468936 -0.0936143 -1.1094632 4 S -1.5540114 0.1447693 0.1446150 0.1972337 -2.8673802 -0.2298613 0.0576255 0.0874181 -1.1094632 5 S -1.5540114 0.1447693 0.1446150 0.1972337 -2.8673802 -0.2298613 0.0576255 0.0874181 -1.1094632 6 S -2.3909464 -0.6804383 0.1267582 -0.6279739 -2.0304453 0.2401709 -0.1045191 0.0061961 -1.1094632 7 K 1.1177463 0.0613363 0.0000000 -0.0613363 1.1177463 0.0000000 0.0000000 -0.0000000 1.7588601 8 K 1.1177463 0.0613363 0.0000000 -0.0613363 1.1177463 0.0000000 0.0000000 -0.0000000 1.7588601 9 As 2.8695492 0.4710772 0.0000000 -0.4710772 2.8695492 0.0000000 0.0000000 -0.0000000 0.5453506 10 As 2.8695492 0.4710772 0.0000000 -0.4710772 2.8695492 0.0000000 0.0000000 -0.0000000 0.5453506 11 Sn 5.2895841 -0.9074337 0.0000000 0.9074337 5.2895841 0.0000000 0.0000000 -0.0000000 2.0483576 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 4686/4686 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 776 Number of blocks in projector: 422 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 308 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (776, 759), data: False |-- (108, 104), data: True |-- (308, 304), data: True |-- (360, 351), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 240 - Time: 0.553 Solver_block: 200 / 240 - Time: 0.566 Solver_block: 240 / 240 - Time: 0.263 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.405 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 4686/4686 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 776 Number of blocks in projector: 422 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 308 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (776, 759), data: False |-- (108, 104), data: True |-- (308, 304), data: True |-- (360, 351), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:45:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.668962839087245 0.000000000000000 0.000000000000000 b -3.334481419543622 5.775491235543947 0.000000000000000 c 0.000000000000000 0.000000000000000 7.265674810000000 Atomic positions (fractional): 1 S 0.10022021714787 0.76008848398587 0.78181621169586 32.065 2 S 0.34013173316200 0.10022021714787 0.21818378830414 32.065 3 S 0.89977978285213 0.23991151601413 0.21818378830414 32.065 4 S 0.76008848398587 0.65986826683800 0.21818378830414 32.065 5 S 0.23991151601413 0.34013173316200 0.78181621169586 32.065 6 S 0.65986826683800 0.89977978285213 0.78181621169586 32.065 7 K 0.33333333333333 0.66666666666667 0.40880019598213 39.098 8 K 0.66666666666667 0.33333333333333 0.59119980401787 39.098 9 As 0.33333333333333 0.66666666666667 0.94316834498063 74.922 10 As 0.66666666666667 0.33333333333333 0.05683165501937 74.922 11 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.337925678174489 0.000000000000000 0.000000000000000 b -6.668962839087244 11.550982471087893 0.000000000000000 c 0.000000000000000 0.000000000000000 14.531349620000000 Atomic positions (fractional): 1 S 0.05011010857393 0.38004424199293 0.39090810584793 32.065 > 1 2 S 0.55011010857393 0.38004424199293 0.39090810584793 32.065 > 1 3 S 0.05011010857393 0.88004424199293 0.39090810584793 32.065 > 1 4 S 0.55011010857393 0.88004424199293 0.39090810584793 32.065 > 1 5 S 0.05011010857393 0.38004424199293 0.89090810584793 32.065 > 1 6 S 0.55011010857393 0.38004424199293 0.89090810584793 32.065 > 1 7 S 0.05011010857393 0.88004424199293 0.89090810584793 32.065 > 1 8 S 0.55011010857393 0.88004424199293 0.89090810584793 32.065 > 1 9 S 0.17006586658100 0.05011010857393 0.10909189415207 32.065 > 9 10 S 0.67006586658100 0.05011010857393 0.10909189415207 32.065 > 9 11 S 0.17006586658100 0.55011010857393 0.10909189415207 32.065 > 9 12 S 0.67006586658100 0.55011010857393 0.10909189415207 32.065 > 9 13 S 0.17006586658100 0.05011010857393 0.60909189415207 32.065 > 9 14 S 0.67006586658100 0.05011010857393 0.60909189415207 32.065 > 9 15 S 0.17006586658100 0.55011010857393 0.60909189415207 32.065 > 9 16 S 0.67006586658100 0.55011010857393 0.60909189415207 32.065 > 9 17 S 0.44988989142607 0.11995575800707 0.10909189415207 32.065 > 17 18 S 0.94988989142607 0.11995575800707 0.10909189415207 32.065 > 17 19 S 0.44988989142607 0.61995575800707 0.10909189415207 32.065 > 17 20 S 0.94988989142607 0.61995575800707 0.10909189415207 32.065 > 17 21 S 0.44988989142607 0.11995575800707 0.60909189415207 32.065 > 17 22 S 0.94988989142607 0.11995575800707 0.60909189415207 32.065 > 17 23 S 0.44988989142607 0.61995575800707 0.60909189415207 32.065 > 17 24 S 0.94988989142607 0.61995575800707 0.60909189415207 32.065 > 17 25 S 0.38004424199293 0.32993413341900 0.10909189415207 32.065 > 25 26 S 0.88004424199293 0.32993413341900 0.10909189415207 32.065 > 25 27 S 0.38004424199293 0.82993413341900 0.10909189415207 32.065 > 25 28 S 0.88004424199293 0.82993413341900 0.10909189415207 32.065 > 25 29 S 0.38004424199293 0.32993413341900 0.60909189415207 32.065 > 25 30 S 0.88004424199293 0.32993413341900 0.60909189415207 32.065 > 25 31 S 0.38004424199293 0.82993413341900 0.60909189415207 32.065 > 25 32 S 0.88004424199293 0.82993413341900 0.60909189415207 32.065 > 25 33 S 0.11995575800707 0.17006586658100 0.39090810584793 32.065 > 33 34 S 0.61995575800707 0.17006586658100 0.39090810584793 32.065 > 33 35 S 0.11995575800707 0.67006586658100 0.39090810584793 32.065 > 33 36 S 0.61995575800707 0.67006586658100 0.39090810584793 32.065 > 33 37 S 0.11995575800707 0.17006586658100 0.89090810584793 32.065 > 33 38 S 0.61995575800707 0.17006586658100 0.89090810584793 32.065 > 33 39 S 0.11995575800707 0.67006586658100 0.89090810584793 32.065 > 33 40 S 0.61995575800707 0.67006586658100 0.89090810584793 32.065 > 33 41 S 0.32993413341900 0.44988989142607 0.39090810584793 32.065 > 41 42 S 0.82993413341900 0.44988989142607 0.39090810584793 32.065 > 41 43 S 0.32993413341900 0.94988989142607 0.39090810584793 32.065 > 41 44 S 0.82993413341900 0.94988989142607 0.39090810584793 32.065 > 41 45 S 0.32993413341900 0.44988989142607 0.89090810584793 32.065 > 41 46 S 0.82993413341900 0.44988989142607 0.89090810584793 32.065 > 41 47 S 0.32993413341900 0.94988989142607 0.89090810584793 32.065 > 41 48 S 0.82993413341900 0.94988989142607 0.89090810584793 32.065 > 41 49 K 0.16666666666667 0.33333333333333 0.20440009799106 39.098 > 49 50 K 0.66666666666667 0.33333333333333 0.20440009799106 39.098 > 49 51 K 0.16666666666667 0.83333333333333 0.20440009799106 39.098 > 49 52 K 0.66666666666667 0.83333333333333 0.20440009799106 39.098 > 49 53 K 0.16666666666667 0.33333333333333 0.70440009799106 39.098 > 49 54 K 0.66666666666667 0.33333333333333 0.70440009799106 39.098 > 49 55 K 0.16666666666667 0.83333333333333 0.70440009799106 39.098 > 49 56 K 0.66666666666667 0.83333333333333 0.70440009799106 39.098 > 49 57 K 0.33333333333333 0.16666666666667 0.29559990200894 39.098 > 57 58 K 0.83333333333333 0.16666666666667 0.29559990200894 39.098 > 57 59 K 0.33333333333333 0.66666666666667 0.29559990200894 39.098 > 57 60 K 0.83333333333333 0.66666666666667 0.29559990200894 39.098 > 57 61 K 0.33333333333333 0.16666666666667 0.79559990200894 39.098 > 57 62 K 0.83333333333333 0.16666666666667 0.79559990200894 39.098 > 57 63 K 0.33333333333333 0.66666666666667 0.79559990200894 39.098 > 57 64 K 0.83333333333333 0.66666666666667 0.79559990200894 39.098 > 57 65 As 0.16666666666667 0.33333333333333 0.47158417249031 74.922 > 65 66 As 0.66666666666667 0.33333333333333 0.47158417249031 74.922 > 65 67 As 0.16666666666667 0.83333333333333 0.47158417249031 74.922 > 65 68 As 0.66666666666667 0.83333333333333 0.47158417249031 74.922 > 65 69 As 0.16666666666667 0.33333333333333 0.97158417249031 74.922 > 65 70 As 0.66666666666667 0.33333333333333 0.97158417249031 74.922 > 65 71 As 0.16666666666667 0.83333333333333 0.97158417249031 74.922 > 65 72 As 0.66666666666667 0.83333333333333 0.97158417249031 74.922 > 65 73 As 0.33333333333333 0.16666666666667 0.02841582750969 74.922 > 73 74 As 0.83333333333333 0.16666666666667 0.02841582750969 74.922 > 73 75 As 0.33333333333333 0.66666666666667 0.02841582750969 74.922 > 73 76 As 0.83333333333333 0.66666666666667 0.02841582750969 74.922 > 73 77 As 0.33333333333333 0.16666666666667 0.52841582750969 74.922 > 73 78 As 0.83333333333333 0.16666666666667 0.52841582750969 74.922 > 73 79 As 0.33333333333333 0.66666666666667 0.52841582750969 74.922 > 73 80 As 0.83333333333333 0.66666666666667 0.52841582750969 74.922 > 73 81 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 81 82 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 81 83 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 81 84 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 81 85 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 81 86 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 81 87 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 81 88 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5070745 -0.0000002 0.0000000 0.0000002 7.5070745 0.0000000 0.0000000 0.0000000 3.9456944 -------------------------- Born effective charges -------------------------- 1 S -2.6871297 0.4569724 -0.2713732 0.5094368 -1.7342620 -0.0103096 0.0468936 -0.0936143 -1.1094632 2 S -2.3909464 -0.6804383 0.1267582 -0.6279739 -2.0304453 0.2401709 -0.1045191 0.0061961 -1.1094632 3 S -2.6871297 0.4569724 -0.2713732 0.5094368 -1.7342620 -0.0103096 0.0468936 -0.0936143 -1.1094632 4 S -1.5540114 0.1447693 0.1446150 0.1972337 -2.8673802 -0.2298613 0.0576255 0.0874181 -1.1094632 5 S -1.5540114 0.1447693 0.1446150 0.1972337 -2.8673802 -0.2298613 0.0576255 0.0874181 -1.1094632 6 S -2.3909464 -0.6804383 0.1267582 -0.6279739 -2.0304453 0.2401709 -0.1045191 0.0061961 -1.1094632 7 K 1.1177463 0.0613363 0.0000000 -0.0613363 1.1177463 0.0000000 0.0000000 -0.0000000 1.7588601 8 K 1.1177463 0.0613363 0.0000000 -0.0613363 1.1177463 0.0000000 0.0000000 -0.0000000 1.7588601 9 As 2.8695492 0.4710772 0.0000000 -0.4710772 2.8695492 0.0000000 0.0000000 -0.0000000 0.5453506 10 As 2.8695492 0.4710772 0.0000000 -0.4710772 2.8695492 0.0000000 0.0000000 -0.0000000 0.5453506 11 Sn 5.2895841 -0.9074337 0.0000000 0.9074337 5.2895841 0.0000000 0.0000000 -0.0000000 2.0483576 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000022 (xyy) -0.00000022 (xyy) -0.00000022 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000054 (xy) -0.00000054 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.668962839087245 0.000000000000000 0.000000000000000 b -3.334481419543622 5.775491235543947 0.000000000000000 c 0.000000000000000 0.000000000000000 7.265674810000000 Atomic positions (fractional): 1 S 0.10022021714787 0.76008848398587 0.78181621169586 32.065 2 S 0.34013173316200 0.10022021714787 0.21818378830414 32.065 3 S 0.89977978285213 0.23991151601413 0.21818378830414 32.065 4 S 0.76008848398587 0.65986826683800 0.21818378830414 32.065 5 S 0.23991151601413 0.34013173316200 0.78181621169586 32.065 6 S 0.65986826683800 0.89977978285213 0.78181621169586 32.065 7 K 0.33333333333333 0.66666666666667 0.40880019598213 39.098 8 K 0.66666666666667 0.33333333333333 0.59119980401787 39.098 9 As 0.33333333333333 0.66666666666667 0.94316834498063 74.922 10 As 0.66666666666667 0.33333333333333 0.05683165501937 74.922 11 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.337925678174489 0.000000000000000 0.000000000000000 b -6.668962839087244 11.550982471087893 0.000000000000000 c 0.000000000000000 0.000000000000000 14.531349620000000 Atomic positions (fractional): 1 S 0.05011010857393 0.38004424199293 0.39090810584793 32.065 > 1 2 S 0.55011010857393 0.38004424199293 0.39090810584793 32.065 > 1 3 S 0.05011010857393 0.88004424199293 0.39090810584793 32.065 > 1 4 S 0.55011010857393 0.88004424199293 0.39090810584793 32.065 > 1 5 S 0.05011010857393 0.38004424199293 0.89090810584793 32.065 > 1 6 S 0.55011010857393 0.38004424199293 0.89090810584793 32.065 > 1 7 S 0.05011010857393 0.88004424199293 0.89090810584793 32.065 > 1 8 S 0.55011010857393 0.88004424199293 0.89090810584793 32.065 > 1 9 S 0.17006586658100 0.05011010857393 0.10909189415207 32.065 > 9 10 S 0.67006586658100 0.05011010857393 0.10909189415207 32.065 > 9 11 S 0.17006586658100 0.55011010857393 0.10909189415207 32.065 > 9 12 S 0.67006586658100 0.55011010857393 0.10909189415207 32.065 > 9 13 S 0.17006586658100 0.05011010857393 0.60909189415207 32.065 > 9 14 S 0.67006586658100 0.05011010857393 0.60909189415207 32.065 > 9 15 S 0.17006586658100 0.55011010857393 0.60909189415207 32.065 > 9 16 S 0.67006586658100 0.55011010857393 0.60909189415207 32.065 > 9 17 S 0.44988989142607 0.11995575800707 0.10909189415207 32.065 > 17 18 S 0.94988989142607 0.11995575800707 0.10909189415207 32.065 > 17 19 S 0.44988989142607 0.61995575800707 0.10909189415207 32.065 > 17 20 S 0.94988989142607 0.61995575800707 0.10909189415207 32.065 > 17 21 S 0.44988989142607 0.11995575800707 0.60909189415207 32.065 > 17 22 S 0.94988989142607 0.11995575800707 0.60909189415207 32.065 > 17 23 S 0.44988989142607 0.61995575800707 0.60909189415207 32.065 > 17 24 S 0.94988989142607 0.61995575800707 0.60909189415207 32.065 > 17 25 S 0.38004424199293 0.32993413341900 0.10909189415207 32.065 > 25 26 S 0.88004424199293 0.32993413341900 0.10909189415207 32.065 > 25 27 S 0.38004424199293 0.82993413341900 0.10909189415207 32.065 > 25 28 S 0.88004424199293 0.82993413341900 0.10909189415207 32.065 > 25 29 S 0.38004424199293 0.32993413341900 0.60909189415207 32.065 > 25 30 S 0.88004424199293 0.32993413341900 0.60909189415207 32.065 > 25 31 S 0.38004424199293 0.82993413341900 0.60909189415207 32.065 > 25 32 S 0.88004424199293 0.82993413341900 0.60909189415207 32.065 > 25 33 S 0.11995575800707 0.17006586658100 0.39090810584793 32.065 > 33 34 S 0.61995575800707 0.17006586658100 0.39090810584793 32.065 > 33 35 S 0.11995575800707 0.67006586658100 0.39090810584793 32.065 > 33 36 S 0.61995575800707 0.67006586658100 0.39090810584793 32.065 > 33 37 S 0.11995575800707 0.17006586658100 0.89090810584793 32.065 > 33 38 S 0.61995575800707 0.17006586658100 0.89090810584793 32.065 > 33 39 S 0.11995575800707 0.67006586658100 0.89090810584793 32.065 > 33 40 S 0.61995575800707 0.67006586658100 0.89090810584793 32.065 > 33 41 S 0.32993413341900 0.44988989142607 0.39090810584793 32.065 > 41 42 S 0.82993413341900 0.44988989142607 0.39090810584793 32.065 > 41 43 S 0.32993413341900 0.94988989142607 0.39090810584793 32.065 > 41 44 S 0.82993413341900 0.94988989142607 0.39090810584793 32.065 > 41 45 S 0.32993413341900 0.44988989142607 0.89090810584793 32.065 > 41 46 S 0.82993413341900 0.44988989142607 0.89090810584793 32.065 > 41 47 S 0.32993413341900 0.94988989142607 0.89090810584793 32.065 > 41 48 S 0.82993413341900 0.94988989142607 0.89090810584793 32.065 > 41 49 K 0.16666666666667 0.33333333333333 0.20440009799106 39.098 > 49 50 K 0.66666666666667 0.33333333333333 0.20440009799106 39.098 > 49 51 K 0.16666666666667 0.83333333333333 0.20440009799106 39.098 > 49 52 K 0.66666666666667 0.83333333333333 0.20440009799106 39.098 > 49 53 K 0.16666666666667 0.33333333333333 0.70440009799106 39.098 > 49 54 K 0.66666666666667 0.33333333333333 0.70440009799106 39.098 > 49 55 K 0.16666666666667 0.83333333333333 0.70440009799106 39.098 > 49 56 K 0.66666666666667 0.83333333333333 0.70440009799106 39.098 > 49 57 K 0.33333333333333 0.16666666666667 0.29559990200894 39.098 > 57 58 K 0.83333333333333 0.16666666666667 0.29559990200894 39.098 > 57 59 K 0.33333333333333 0.66666666666667 0.29559990200894 39.098 > 57 60 K 0.83333333333333 0.66666666666667 0.29559990200894 39.098 > 57 61 K 0.33333333333333 0.16666666666667 0.79559990200894 39.098 > 57 62 K 0.83333333333333 0.16666666666667 0.79559990200894 39.098 > 57 63 K 0.33333333333333 0.66666666666667 0.79559990200894 39.098 > 57 64 K 0.83333333333333 0.66666666666667 0.79559990200894 39.098 > 57 65 As 0.16666666666667 0.33333333333333 0.47158417249031 74.922 > 65 66 As 0.66666666666667 0.33333333333333 0.47158417249031 74.922 > 65 67 As 0.16666666666667 0.83333333333333 0.47158417249031 74.922 > 65 68 As 0.66666666666667 0.83333333333333 0.47158417249031 74.922 > 65 69 As 0.16666666666667 0.33333333333333 0.97158417249031 74.922 > 65 70 As 0.66666666666667 0.33333333333333 0.97158417249031 74.922 > 65 71 As 0.16666666666667 0.83333333333333 0.97158417249031 74.922 > 65 72 As 0.66666666666667 0.83333333333333 0.97158417249031 74.922 > 65 73 As 0.33333333333333 0.16666666666667 0.02841582750969 74.922 > 73 74 As 0.83333333333333 0.16666666666667 0.02841582750969 74.922 > 73 75 As 0.33333333333333 0.66666666666667 0.02841582750969 74.922 > 73 76 As 0.83333333333333 0.66666666666667 0.02841582750969 74.922 > 73 77 As 0.33333333333333 0.16666666666667 0.52841582750969 74.922 > 73 78 As 0.83333333333333 0.16666666666667 0.52841582750969 74.922 > 73 79 As 0.33333333333333 0.66666666666667 0.52841582750969 74.922 > 73 80 As 0.83333333333333 0.66666666666667 0.52841582750969 74.922 > 73 81 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 81 82 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 81 83 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 81 84 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 81 85 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 81 86 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 81 87 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 81 88 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5070745 -0.0000002 0.0000000 0.0000002 7.5070745 0.0000000 0.0000000 0.0000000 3.9456944 -------------------------- Born effective charges -------------------------- 1 S -2.6871297 0.4569724 -0.2713732 0.5094368 -1.7342620 -0.0103096 0.0468936 -0.0936143 -1.1094632 2 S -2.3909464 -0.6804383 0.1267582 -0.6279739 -2.0304453 0.2401709 -0.1045191 0.0061961 -1.1094632 3 S -2.6871297 0.4569724 -0.2713732 0.5094368 -1.7342620 -0.0103096 0.0468936 -0.0936143 -1.1094632 4 S -1.5540114 0.1447693 0.1446150 0.1972337 -2.8673802 -0.2298613 0.0576255 0.0874181 -1.1094632 5 S -1.5540114 0.1447693 0.1446150 0.1972337 -2.8673802 -0.2298613 0.0576255 0.0874181 -1.1094632 6 S -2.3909464 -0.6804383 0.1267582 -0.6279739 -2.0304453 0.2401709 -0.1045191 0.0061961 -1.1094632 7 K 1.1177463 0.0613363 0.0000000 -0.0613363 1.1177463 0.0000000 0.0000000 -0.0000000 1.7588601 8 K 1.1177463 0.0613363 0.0000000 -0.0613363 1.1177463 0.0000000 0.0000000 -0.0000000 1.7588601 9 As 2.8695492 0.4710772 0.0000000 -0.4710772 2.8695492 0.0000000 0.0000000 -0.0000000 0.5453506 10 As 2.8695492 0.4710772 0.0000000 -0.4710772 2.8695492 0.0000000 0.0000000 -0.0000000 0.5453506 11 Sn 5.2895841 -0.9074337 0.0000000 0.9074337 5.2895841 0.0000000 0.0000000 -0.0000000 2.0483576 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000022 (xyy) -0.00000022 (xyy) -0.00000022 (xyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] 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: 0.63, Number of G-points: 303, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 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 1.511 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( 13.946 8.355 -1.230) 16.303 0.422 ( 18.617 10.704 -0.956) 21.496 0.898 ( 38.916 22.409 0.553) 44.911 1.417 ( -8.072 -4.712 -0.551) 9.362 1.951 ( 0.752 1.494 -1.832) 2.480 2.008 ( 5.159 2.016 1.434) 5.721 2.491 ( -0.300 -0.474 1.456) 1.561 2.537 ( 2.810 1.993 -0.147) 3.448 2.867 ( -13.313 -8.262 -0.438) 15.674 3.031 ( -6.264 -3.884 -1.573) 7.536 3.255 ( -0.742 -0.156 1.187) 1.409 3.334 ( 3.860 3.079 1.755) 5.241 3.506 ( -4.777 -2.897 -0.080) 5.588 3.740 ( 3.065 2.051 0.214) 3.694 3.809 ( -0.225 -0.552 -1.013) 1.175 4.043 ( 1.725 1.023 -0.261) 2.023 4.351 ( -1.867 -4.223 -0.630) 4.660 4.436 ( -0.012 5.615 -0.191) 5.618 4.495 ( 3.474 -0.652 1.013) 3.677 4.605 ( 4.657 2.755 -0.723) 5.459 5.149 ( -1.378 -0.832 0.335) 1.644 7.074 ( 0.173 -0.001 0.239) 0.295 7.144 ( 6.230 3.691 -0.483) 7.258 7.881 ( 0.208 0.052 -0.203) 0.295 8.375 ( -1.312 -0.692 0.595) 1.598 9.049 ( -0.097 -0.030 0.333) 0.348 9.312 ( -5.096 -3.080 -1.181) 6.071 9.666 ( -2.755 1.195 -0.637) 3.070 9.730 ( 5.179 -2.896 1.019) 6.020 9.771 ( 1.900 4.316 0.468) 4.739 10.534 ( 1.061 0.607 -0.422) 1.293 11.209 ( -2.078 -1.200 -0.003) 2.399 11.509 ( -3.793 -2.187 0.196) 4.382 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 19.630 11.906 -0.690) 22.968 0.799 ( 13.433 8.992 0.698) 16.180 1.206 ( -7.826 -5.820 -4.358) 10.683 1.663 ( 25.744 15.055 -1.229) 29.849 2.026 ( 2.753 9.960 -2.338) 10.595 2.130 ( 10.724 -3.696 2.701) 11.660 2.465 ( -4.451 -6.890 2.142) 8.478 2.497 ( -5.529 2.342 4.788) 7.680 2.673 ( -1.052 -2.013 -7.806) 8.130 2.878 ( -5.810 -4.356 -1.587) 7.433 3.179 ( -8.667 -0.102 5.051) 10.032 3.384 ( -1.089 3.562 1.994) 4.225 3.429 ( 0.683 -5.108 0.815) 5.218 3.730 ( -2.256 -1.331 0.563) 2.679 3.856 ( 3.077 0.877 -0.585) 3.252 4.097 ( 3.097 1.877 -0.885) 3.728 4.272 ( -2.110 -4.928 -0.696) 5.406 4.474 ( -1.484 5.239 -1.162) 5.568 4.556 ( 3.083 -0.528 0.770) 3.221 4.715 ( 4.222 2.433 -1.765) 5.182 5.108 ( -1.850 -1.258 1.004) 2.452 7.083 ( 0.573 0.684 0.289) 0.938 7.341 ( 11.351 5.979 -0.673) 12.847 7.888 ( 0.580 0.007 -0.269) 0.639 8.334 ( -2.498 -0.992 0.922) 2.841 9.031 ( -3.351 -1.071 3.420) 4.907 9.171 ( -5.232 -4.330 -4.403) 8.094 9.634 ( -2.830 1.877 -0.346) 3.413 9.780 ( 4.174 -3.194 0.878) 5.329 9.880 ( 5.044 5.532 0.438) 7.499 10.565 ( 1.585 0.877 -0.543) 1.891 11.148 ( -3.178 -1.856 -0.011) 3.680 11.393 ( -6.328 -3.621 0.305) 7.297 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -5.852 7.054 3.015) 9.649 1.075 ( 17.116 8.884 -0.828) 19.302 1.188 ( 9.953 -2.487 -8.251) 13.166 1.881 ( -4.264 8.995 -0.472) 9.966 2.127 ( 3.491 -7.619 2.038) 8.625 2.216 ( 2.103 -11.528 -2.121) 11.908 2.465 ( 0.284 6.536 0.462) 6.559 2.595 ( 11.581 9.348 -0.212) 14.885 2.644 ( 1.611 1.324 -5.785) 6.149 2.800 ( 0.113 0.690 1.551) 1.701 2.993 ( -11.921 0.206 5.398) 13.088 3.395 ( -0.363 1.702 2.466) 3.018 3.406 ( 1.896 -5.795 2.763) 6.694 3.677 ( -2.415 -0.669 0.505) 2.557 3.908 ( 3.460 -0.057 0.569) 3.507 4.168 ( 3.303 -1.588 -0.738) 3.738 4.197 ( -2.058 -0.638 -0.697) 2.264 4.479 ( -3.818 2.792 -1.214) 4.884 4.575 ( 0.090 0.299 -0.787) 0.846 4.743 ( -1.399 -2.187 -2.799) 3.818 5.092 ( 0.822 0.495 1.700) 1.952 7.104 ( 0.549 1.355 0.155) 1.470 7.619 ( 14.641 5.731 -0.607) 15.735 7.902 ( 0.777 0.640 -0.189) 1.025 8.273 ( -3.949 -0.913 0.856) 4.143 8.857 ( -11.034 -5.426 2.725) 12.594 9.130 ( 1.231 -0.931 -3.316) 3.657 9.610 ( -2.242 1.826 -0.044) 2.892 9.810 ( 2.460 -1.948 0.521) 3.181 10.024 ( 5.839 4.415 0.118) 7.321 10.599 ( 1.403 0.743 -0.351) 1.626 11.080 ( -2.581 -1.614 0.026) 3.044 11.244 ( -6.737 -3.754 0.258) 7.716 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.792 6.105 -0.337) 6.166 1.125 ( -2.356 -5.734 0.256) 6.205 1.512 ( 13.583 7.102 -3.422) 15.705 1.927 ( -1.659 12.100 0.810) 12.240 2.041 ( -0.653 -12.474 -0.059) 12.492 2.141 ( 0.695 -8.083 -1.607) 8.270 2.483 ( -1.977 1.710 1.499) 3.014 2.564 ( -2.870 0.318 -1.075) 3.081 2.763 ( -0.214 4.664 0.038) 4.669 2.842 ( -4.268 -2.134 1.424) 4.979 3.052 ( 11.725 8.792 -3.815) 15.143 3.332 ( -3.062 -5.761 6.211) 9.008 3.423 ( 1.242 0.128 0.180) 1.262 3.652 ( -0.547 0.411 0.166) 0.704 3.994 ( 6.030 0.854 2.151) 6.459 4.127 ( -1.333 -2.634 -1.564) 3.340 4.231 ( 1.061 1.217 -0.153) 1.622 4.376 ( -7.558 -0.202 -1.216) 7.658 4.598 ( 1.440 1.515 -1.341) 2.483 4.674 ( -2.240 -3.045 -0.545) 3.819 5.121 ( 0.940 0.691 0.698) 1.359 7.121 ( 0.148 0.731 0.033) 0.746 7.895 ( 9.772 -3.318 -0.540) 10.334 7.942 ( 4.455 8.794 -0.072) 9.858 8.164 ( -8.114 -2.432 0.623) 8.494 8.652 ( -5.938 -3.358 0.869) 6.877 9.145 ( 0.777 -0.204 -1.010) 1.290 9.596 ( -0.887 0.785 0.036) 1.185 9.824 ( 0.821 -0.688 0.173) 1.085 10.134 ( 2.797 1.893 -0.052) 3.378 10.621 ( 0.564 0.297 -0.098) 0.645 11.044 ( -0.323 -0.424 0.089) 0.540 11.121 ( -3.824 -1.975 0.047) 4.304 ======================= Grid point 10 (6/102) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 10.293 17.505 -1.223) 20.343 0.725 ( 10.725 17.434 -5.778) 21.269 1.289 ( -3.592 -5.634 -0.046) 6.682 1.493 ( 17.848 31.959 4.038) 36.827 1.915 ( 1.665 -2.594 1.648) 3.495 2.144 ( 2.271 9.442 -2.220) 9.962 2.462 ( -2.755 -3.014 -1.802) 4.463 2.583 ( 2.981 0.458 0.321) 3.033 2.670 ( -7.189 -8.200 -0.979) 10.950 2.893 ( -5.824 -8.741 0.793) 10.533 3.219 ( -0.000 -5.649 -0.474) 5.669 3.344 ( 0.408 -0.686 1.800) 1.969 3.494 ( -0.452 1.225 0.056) 1.307 3.749 ( -0.805 -1.505 3.748) 4.119 3.825 ( 0.385 2.144 1.736) 2.785 4.076 ( 1.371 2.213 -1.299) 2.910 4.328 ( -5.032 1.453 -0.719) 5.287 4.441 ( 6.150 -3.757 -0.438) 7.221 4.539 ( -0.440 3.701 -1.385) 3.976 4.692 ( 3.195 5.411 -0.123) 6.285 5.115 ( -1.696 -2.674 -1.258) 3.407 7.078 ( 0.440 0.475 0.002) 0.648 7.281 ( 5.604 10.180 -0.313) 11.625 7.882 ( -0.209 0.083 0.197) 0.299 8.351 ( -0.774 -1.858 -0.521) 2.079 9.048 ( 0.265 -0.371 -0.734) 0.864 9.200 ( -5.279 -7.729 1.154) 9.431 9.666 ( 4.013 -2.902 0.931) 5.039 9.742 ( -4.809 5.077 -0.686) 7.027 9.851 ( 4.909 4.271 -0.597) 6.534 10.555 ( 0.812 1.453 0.606) 1.771 11.166 ( -1.773 -3.053 0.002) 3.531 11.429 ( -3.375 -5.879 0.072) 6.779 ======================= Grid point 11 (7/102) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 17.521 13.064 -4.300) 22.274 1.037 ( 5.658 14.099 0.672) 15.207 1.186 ( -5.685 4.921 -4.492) 8.759 1.911 ( 5.137 8.004 0.445) 9.521 1.985 ( 9.150 -10.903 -0.518) 14.244 2.157 ( -7.719 2.738 0.332) 8.197 2.503 ( 9.672 9.818 0.648) 13.797 2.539 ( -3.500 2.317 1.974) 4.638 2.631 ( 0.842 -0.055 -6.966) 7.017 2.741 ( 0.730 -7.885 -0.139) 7.920 3.155 ( -2.455 -4.804 2.821) 6.088 3.345 ( -0.195 0.197 5.584) 5.591 3.465 ( -4.770 2.525 0.994) 5.488 3.704 ( -2.245 -1.565 5.570) 6.206 3.847 ( 1.856 -1.221 -0.080) 2.223 4.120 ( 1.675 0.911 -1.966) 2.739 4.271 ( -4.131 3.938 -1.803) 5.986 4.496 ( 3.511 -2.839 0.230) 4.521 4.561 ( 0.544 1.014 -1.678) 2.035 4.770 ( -0.530 2.879 -2.499) 3.849 5.055 ( -0.210 -4.448 -0.278) 4.462 7.106 ( 1.558 1.840 0.066) 2.412 7.495 ( 7.891 9.149 -0.789) 12.108 7.884 ( 0.991 0.108 0.006) 0.997 8.317 ( -1.623 -0.922 -0.108) 1.870 8.992 ( -10.239 -4.680 3.559) 11.807 9.064 ( 2.653 -4.419 -3.494) 6.227 9.698 ( -1.808 1.619 0.831) 2.565 9.731 ( 2.008 0.669 -0.011) 2.117 9.979 ( 5.058 4.774 -0.451) 6.970 10.585 ( 1.151 1.132 0.377) 1.658 11.100 ( -2.380 -2.875 0.020) 3.732 11.296 ( -5.141 -6.273 0.228) 8.113 ======================= Grid point 12 (8/102) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -5.742 11.833 0.557) 13.164 1.200 ( -5.233 6.208 -4.525) 9.295 1.316 ( 16.570 11.381 -4.691) 20.642 1.918 ( 3.463 -11.869 -1.752) 12.487 1.973 ( 1.952 -4.541 -0.320) 4.953 2.111 ( -4.649 6.737 -0.133) 8.186 2.480 ( 0.682 -4.030 1.192) 4.257 2.556 ( 0.052 -4.395 -4.790) 6.501 2.741 ( 3.094 -3.177 0.462) 4.459 2.964 ( 13.259 16.452 -0.818) 21.146 3.019 ( -9.594 1.028 3.116) 10.140 3.324 ( -2.711 -0.487 7.057) 7.576 3.428 ( -0.953 1.252 2.691) 3.118 3.657 ( -1.147 -2.027 4.373) 4.955 3.881 ( 5.158 -2.572 0.150) 5.766 4.142 ( -0.352 1.786 -1.368) 2.277 4.272 ( -1.802 5.574 -2.275) 6.284 4.486 ( -3.114 -1.546 0.345) 3.494 4.581 ( 1.460 -0.008 -1.551) 2.130 4.701 ( -5.895 -2.013 -3.849) 7.323 5.051 ( 4.259 -5.028 0.017) 6.589 7.150 ( -0.133 3.540 -0.140) 3.545 7.681 ( 8.911 -1.056 -0.816) 9.010 7.944 ( 3.769 4.820 0.012) 6.119 8.275 ( -3.827 0.920 -0.058) 3.937 8.763 ( -10.564 -3.730 1.660) 11.326 9.082 ( 3.568 -3.806 -1.403) 5.402 9.667 ( -4.101 3.322 0.562) 5.308 9.783 ( 3.190 -0.410 0.451) 3.247 10.099 ( 4.095 3.149 -0.425) 5.183 10.611 ( 0.946 0.527 0.347) 1.137 11.045 ( -1.149 -1.847 0.090) 2.177 11.156 ( -4.358 -5.174 0.146) 6.766 ======================= Grid point 13 (9/102) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -13.213 5.979 1.409) 14.571 1.217 ( -0.568 13.662 -5.216) 14.635 1.565 ( 2.469 -2.490 -1.984) 4.029 1.806 ( -2.377 -11.261 -0.777) 11.536 2.072 ( 12.739 1.964 -4.903) 13.790 2.143 ( -0.045 9.259 1.823) 9.437 2.429 ( -1.650 -7.490 2.514) 8.072 2.540 ( 0.846 -1.627 -2.177) 2.847 2.721 ( -1.585 -6.126 1.376) 6.476 2.869 ( -4.504 3.171 1.352) 5.671 3.191 ( -8.459 1.944 4.396) 9.729 3.307 ( 5.928 5.754 -2.941) 8.769 3.449 ( 0.215 2.367 2.518) 3.463 3.628 ( 0.448 -2.768 3.167) 4.230 3.974 ( 7.181 -3.751 1.661) 8.270 4.161 ( -0.646 5.667 -0.592) 5.735 4.278 ( -4.579 3.636 -2.417) 6.327 4.365 ( -5.631 -0.539 -1.092) 5.761 4.595 ( -0.454 -2.020 0.657) 2.172 4.657 ( 2.704 1.916 -1.593) 3.677 5.063 ( 3.454 -6.571 -1.474) 7.569 7.157 ( -2.777 3.020 -0.264) 4.111 7.777 ( 8.343 -8.387 -0.748) 11.854 8.046 ( -0.298 1.700 0.273) 1.748 8.196 ( -6.444 5.197 -0.171) 8.280 8.640 ( -1.498 2.464 0.088) 2.885 9.102 ( 3.276 -4.209 0.150) 5.335 9.632 ( -3.447 2.772 0.572) 4.460 9.822 ( 1.539 0.331 0.303) 1.603 10.150 ( -0.283 -0.115 -0.275) 0.411 10.622 ( 0.096 -0.117 0.418) 0.445 11.036 ( 0.871 -0.402 -0.098) 0.964 11.078 ( 0.644 -2.193 0.140) 2.290 ======================= Grid point 15 (10/102) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -7.203 5.905 -0.038) 9.314 1.294 ( -12.284 5.520 -3.573) 13.934 1.405 ( -9.295 0.416 3.446) 9.922 1.709 ( 4.573 -8.922 -3.368) 10.576 2.243 ( -2.047 4.685 3.316) 6.094 2.261 ( 1.434 -0.375 1.495) 2.105 2.399 ( 10.617 -2.017 -6.876) 12.809 2.507 ( 2.119 -4.720 2.970) 5.966 2.640 ( -1.353 -4.107 -1.317) 4.520 2.913 ( 3.166 5.129 2.187) 6.412 2.946 ( -17.794 -2.723 2.066) 18.119 3.401 ( -0.818 0.797 -1.574) 1.945 3.474 ( 0.008 4.410 -1.193) 4.568 3.633 ( 2.826 -0.557 2.688) 3.940 3.949 ( -2.765 -4.497 0.199) 5.283 4.198 ( -3.001 -0.831 -1.614) 3.507 4.255 ( 0.443 7.708 0.277) 7.726 4.375 ( 3.612 -0.013 0.589) 3.660 4.565 ( -0.134 -1.436 0.842) 1.670 4.750 ( 2.579 4.805 0.681) 5.495 5.044 ( 2.635 -6.634 -2.878) 7.697 7.127 ( -2.882 1.245 -0.238) 3.148 7.760 ( -3.699 -8.993 -0.386) 9.732 7.923 ( -6.626 0.280 0.343) 6.641 8.240 ( 2.038 4.223 -0.746) 4.748 8.750 ( 7.859 6.283 -1.464) 10.168 9.107 ( 2.127 -4.073 1.950) 4.992 9.612 ( -1.849 2.605 0.552) 3.242 9.837 ( 0.005 -0.053 0.080) 0.096 10.087 ( -5.259 -2.384 -0.422) 5.789 10.612 ( -0.894 -0.537 0.631) 1.219 11.050 ( 1.892 0.081 -0.059) 1.895 11.151 ( 6.916 1.174 -0.042) 7.015 ======================= Grid point 16 (11/102) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -12.085 -1.931 -3.622) 12.763 1.007 ( -16.266 2.286 0.112) 16.426 1.264 ( -7.916 1.182 1.919) 8.231 1.794 ( 3.468 3.065 -0.220) 4.633 2.063 ( -12.033 -12.976 2.902) 17.933 2.297 ( 1.609 -5.543 -2.854) 6.439 2.418 ( -8.224 6.712 0.443) 10.624 2.548 ( -4.974 4.228 -2.557) 7.011 2.624 ( 5.912 -3.488 5.187) 8.604 2.747 ( 5.283 -3.530 -4.791) 7.957 3.056 ( 7.081 6.119 0.428) 9.369 3.363 ( -1.881 -1.028 2.110) 3.008 3.502 ( -0.929 2.549 -1.743) 3.225 3.699 ( 3.294 1.523 3.028) 4.727 3.874 ( -1.506 -3.460 1.581) 4.092 4.130 ( -2.871 -1.877 -1.222) 3.641 4.337 ( -0.994 8.238 -0.381) 8.306 4.392 ( 1.972 -4.530 0.300) 4.949 4.571 ( 0.530 -0.387 -0.595) 0.886 4.778 ( -3.386 1.143 0.945) 3.696 5.057 ( 4.216 -2.075 -2.546) 5.344 7.095 ( -1.694 0.317 -0.173) 1.732 7.519 ( -13.814 -3.905 -0.107) 14.356 7.886 ( -0.028 -0.882 0.216) 0.908 8.305 ( 2.272 1.802 -1.017) 3.072 8.960 ( 8.618 5.295 -3.560) 10.723 9.103 ( 2.908 -3.778 4.362) 6.462 9.624 ( -0.254 3.384 0.661) 3.457 9.817 ( -1.015 -2.823 -0.147) 3.003 9.958 ( -7.292 -0.982 -0.899) 7.413 10.586 ( -1.582 -0.482 0.852) 1.860 11.101 ( 3.586 0.552 0.015) 3.628 11.295 ( 8.097 1.398 -0.091) 8.217 ======================= Grid point 21 (12/102) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 13.810 6.022 -3.133) 15.388 1.308 ( 5.063 12.899 3.860) 14.384 1.374 ( -0.758 12.949 -7.555) 15.011 1.723 ( 2.163 -14.248 -4.407) 15.070 2.034 ( -8.578 7.377 5.048) 12.389 2.261 ( -3.807 5.954 -2.704) 7.567 2.418 ( -3.884 -11.278 -2.186) 12.127 2.507 ( 1.674 -4.010 0.826) 4.424 2.648 ( 3.533 -1.835 -1.356) 4.206 2.922 ( 11.517 18.914 1.114) 22.172 3.027 ( 2.283 -6.590 2.694) 7.477 3.399 ( 0.236 3.442 3.781) 5.119 3.491 ( -3.768 0.588 -0.799) 3.896 3.650 ( -0.906 -4.141 4.982) 6.541 3.840 ( -3.740 0.762 2.932) 4.813 4.167 ( 0.781 4.370 -2.264) 4.983 4.346 ( -1.143 1.731 -1.155) 2.375 4.430 ( 5.802 -2.946 -0.209) 6.510 4.556 ( 0.198 -0.947 -0.838) 1.280 4.813 ( -2.801 1.010 -2.104) 3.646 4.940 ( -2.488 -6.777 -2.012) 7.495 7.157 ( 3.480 3.477 -0.242) 4.926 7.631 ( -1.907 2.962 -0.803) 3.613 7.928 ( 3.841 5.571 0.227) 6.771 8.297 ( 0.790 -1.114 -0.652) 1.514 8.852 ( -2.717 -7.771 -0.486) 8.247 9.022 ( -3.140 -1.449 1.072) 3.621 9.683 ( 4.364 -0.399 0.963) 4.487 9.795 ( -3.167 2.832 0.228) 4.254 10.068 ( 3.426 4.535 -0.737) 5.731 10.605 ( 0.488 0.942 0.760) 1.305 11.048 ( -1.562 -2.302 0.063) 2.782 11.165 ( -3.739 -6.878 0.036) 7.829 ======================= Grid point 22 (13/102) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.919 7.378 0.008) 7.435 1.354 ( -4.535 8.270 -5.149) 10.745 1.452 ( 3.095 0.698 -4.815) 5.766 1.756 ( 6.570 -3.496 -6.020) 9.572 1.959 ( -2.823 5.242 1.147) 6.063 2.207 ( -1.722 -0.881 -0.061) 1.935 2.353 ( 0.790 -8.617 6.187) 10.637 2.502 ( 1.517 1.907 -4.057) 4.732 2.673 ( 1.812 -3.748 0.869) 4.253 2.972 ( -3.398 -2.500 -0.537) 4.253 3.261 ( 8.708 11.952 -1.270) 14.842 3.387 ( -9.168 4.913 3.413) 10.947 3.453 ( 1.393 1.532 2.960) 3.612 3.596 ( -0.813 -3.317 6.351) 7.211 3.802 ( 3.856 -6.358 4.541) 8.713 4.233 ( -0.264 7.054 -1.489) 7.214 4.377 ( 0.412 3.953 -2.063) 4.478 4.441 ( -2.116 -2.342 -0.138) 3.159 4.588 ( 3.002 1.735 -1.131) 3.647 4.673 ( -8.784 -0.594 -4.496) 9.886 4.902 ( 5.113 -10.108 -1.694) 11.454 7.246 ( -0.458 6.607 -0.483) 6.641 7.584 ( 2.529 -7.976 -0.876) 8.413 8.055 ( 2.625 5.061 0.414) 5.716 8.297 ( -1.287 1.119 -0.693) 1.842 8.743 ( -5.910 2.231 0.693) 6.355 8.983 ( 3.067 -6.461 -0.022) 7.152 9.722 ( -2.061 2.575 0.904) 3.419 9.791 ( 1.453 0.512 0.504) 1.621 10.144 ( 1.575 1.616 -0.544) 2.321 10.619 ( 0.337 0.290 0.724) 0.850 11.016 ( 0.096 -0.975 0.104) 0.985 11.059 ( -1.829 -4.355 -0.034) 4.724 ======================= Grid point 23 (14/102) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -13.503 9.088 -1.279) 16.327 1.452 ( 2.149 0.859 -1.848) 2.961 1.505 ( 2.797 3.161 -4.351) 6.062 1.631 ( -11.200 -4.647 -5.475) 13.305 2.142 ( 12.532 0.312 -7.317) 14.516 2.203 ( -0.175 -8.160 2.765) 8.617 2.278 ( 2.935 2.104 9.047) 9.741 2.528 ( -3.447 -1.008 -0.949) 3.715 2.628 ( -0.502 -1.096 -1.287) 1.764 2.937 ( 0.026 3.649 0.276) 3.659 3.223 ( -14.923 2.330 3.355) 15.472 3.415 ( 1.408 3.686 -1.619) 4.265 3.494 ( 0.669 0.353 -0.053) 0.758 3.581 ( 1.968 -0.305 5.717) 6.054 3.841 ( 7.167 -8.665 6.626) 13.052 4.291 ( -3.405 0.539 -0.128) 3.450 4.306 ( -5.312 4.621 -2.998) 7.652 4.409 ( -1.647 4.139 -1.727) 4.778 4.562 ( -1.813 -0.592 -0.667) 2.020 4.735 ( 5.721 6.290 -1.049) 8.568 4.885 ( 5.554 -11.155 -3.684) 12.995 7.231 ( -6.461 4.100 -0.471) 7.667 7.610 ( 8.075 -7.431 -0.895) 11.011 8.057 ( -5.834 0.053 0.501) 5.856 8.282 ( -1.707 2.853 -0.657) 3.389 8.736 ( 0.458 6.103 -0.302) 6.128 8.994 ( 5.059 -6.084 0.861) 7.959 9.695 ( -3.656 3.469 0.836) 5.109 9.818 ( 1.307 -1.369 0.534) 1.967 10.141 ( -2.571 -0.385 -0.521) 2.652 10.619 ( -0.392 -0.158 0.760) 0.870 11.023 ( 0.732 -1.003 -0.052) 1.243 11.053 ( 4.761 -0.170 0.054) 4.764 ======================= Grid point 31 (15/102) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -2.839 -5.677 -3.086) 7.058 1.400 ( 2.839 5.677 -3.086) 7.058 1.425 ( -0.000 -0.000 -2.691) 2.691 1.745 ( -0.000 -0.000 -12.419) 12.419 2.111 ( -3.211 -6.422 -0.274) 7.185 2.111 ( 3.211 6.422 -0.274) 7.185 2.220 ( -0.000 0.000 12.374) 12.374 2.594 ( -1.892 -3.784 -0.577) 4.270 2.594 ( 1.892 3.784 -0.577) 4.270 2.951 ( 0.000 -0.000 -2.626) 2.626 3.428 ( -1.747 -3.495 -3.300) 5.114 3.428 ( 1.747 3.495 -3.300) 5.114 3.444 ( 0.000 0.000 0.718) 0.718 3.636 ( -3.850 -7.700 11.594) 14.440 3.636 ( 3.850 7.700 11.594) 14.440 4.329 ( 0.000 0.000 1.392) 1.392 4.414 ( -1.114 -2.228 -2.582) 3.588 4.414 ( 1.114 2.228 -2.582) 3.588 4.671 ( 0.000 -0.000 -0.871) 0.871 4.696 ( -2.257 -4.515 -3.889) 6.372 4.696 ( 2.257 4.515 -3.889) 6.372 7.405 ( -4.405 -8.811 -0.764) 9.880 7.405 ( 4.405 8.811 -0.764) 9.880 8.105 ( -0.000 -0.000 0.652) 0.652 8.311 ( -0.000 -0.000 -0.887) 0.887 8.843 ( -3.326 -6.652 0.368) 7.446 8.843 ( 3.326 6.652 0.368) 7.446 9.773 ( -1.192 -2.385 0.785) 2.779 9.773 ( 1.192 2.385 0.785) 2.779 10.160 ( 0.000 -0.000 -0.536) 0.536 10.622 ( -0.000 -0.000 0.858) 0.858 11.010 ( -0.174 -0.348 -0.014) 0.390 11.010 ( 0.174 0.348 -0.014) 0.390 ======================= Grid point 91 (16/102) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 0.000 -0.000 17.385) 17.385 0.361 ( 0.000 0.000 17.385) 17.385 0.690 ( 0.000 -0.000 33.566) 33.566 1.621 ( 0.000 0.000 10.669) 10.669 1.949 ( -0.000 -0.000 0.099) 0.099 1.949 ( -0.000 0.000 0.099) 0.099 2.483 ( 0.000 0.000 -0.309) 0.309 2.483 ( -0.000 0.000 -0.309) 0.309 3.072 ( 0.000 -0.000 -3.939) 3.939 3.072 ( -0.000 0.000 -3.939) 3.939 3.238 ( 0.000 0.000 -2.043) 2.043 3.530 ( -0.000 0.000 -8.460) 8.460 3.610 ( 0.000 0.000 -2.394) 2.394 3.643 ( 0.000 -0.000 -0.610) 0.610 3.643 ( 0.000 0.000 -0.610) 0.610 4.120 ( 0.000 -0.000 7.620) 7.620 4.408 ( 0.000 0.000 1.076) 1.076 4.408 ( 0.000 0.000 1.076) 1.076 4.486 ( 0.000 -0.000 1.269) 1.269 4.486 ( 0.000 0.000 1.269) 1.269 4.933 ( 0.000 -0.000 -5.714) 5.714 7.070 ( 0.000 -0.000 -0.348) 0.348 7.070 ( 0.000 0.000 -0.348) 0.348 7.880 ( 0.000 -0.000 0.095) 0.095 7.880 ( 0.000 0.000 0.095) 0.095 9.056 ( 0.000 0.000 0.594) 0.594 9.690 ( 0.000 0.000 -0.127) 0.127 9.693 ( 0.000 -0.000 -0.004) 0.004 9.693 ( 0.000 0.000 -0.004) 0.004 9.730 ( 0.000 -0.000 0.117) 0.117 9.730 ( 0.000 0.000 0.117) 0.117 11.233 ( 0.000 0.000 -0.020) 0.020 11.715 ( 0.000 0.000 -0.106) 0.106 ======================= Grid point 92 (17/102) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 18.996 -1.905 10.461) 21.770 0.593 ( 5.808 1.929 23.049) 23.848 1.032 ( 28.194 23.230 12.033) 38.462 1.508 ( -10.989 -4.712 9.166) 15.066 1.917 ( -1.221 2.312 -1.217) 2.884 2.045 ( 7.776 0.630 2.134) 8.088 2.472 ( 1.334 -2.493 -3.074) 4.177 2.536 ( 1.638 2.566 -0.035) 3.044 2.834 ( -11.272 -11.101 -3.655) 16.237 2.996 ( -8.517 -0.552 -0.502) 8.550 3.248 ( -1.655 1.294 -3.230) 3.853 3.404 ( 2.885 0.426 4.226) 5.135 3.500 ( -4.152 -1.771 -0.818) 4.587 3.744 ( 5.947 3.197 -0.192) 6.754 3.754 ( -3.739 5.472 -3.999) 7.740 4.093 ( -0.205 -0.961 4.905) 5.003 4.347 ( -2.048 -4.986 0.421) 5.407 4.444 ( 0.032 3.372 0.937) 3.500 4.513 ( 5.636 -3.752 -0.069) 6.771 4.550 ( 2.951 4.568 -2.518) 5.993 5.100 ( 3.843 0.322 -5.189) 6.465 7.077 ( 0.404 0.092 -0.023) 0.415 7.139 ( 6.309 3.420 -0.118) 7.177 7.878 ( -0.174 0.301 -0.111) 0.365 8.241 ( 10.522 5.439 -10.117) 15.577 8.991 ( -2.096 -1.231 -2.500) 3.487 9.400 ( -8.977 -4.534 5.980) 11.701 9.657 ( -2.527 1.032 -0.252) 2.741 9.755 ( 5.266 -2.557 1.407) 6.021 9.779 ( 2.866 3.598 0.440) 4.621 10.263 ( 14.647 9.752 -16.965) 24.443 11.208 ( -2.104 -1.213 -0.045) 2.429 11.581 ( -7.549 -4.261 3.594) 9.384 ======================= Grid point 93 (18/102) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 13.444 4.428 11.004) 17.929 0.880 ( 18.180 3.093 8.058) 20.124 1.215 ( -15.829 -4.894 5.132) 17.345 1.695 ( 21.889 14.997 4.032) 26.838 1.984 ( 3.792 9.915 -1.577) 10.732 2.180 ( 9.058 -3.940 2.073) 10.093 2.438 ( -1.704 -5.658 -4.812) 7.621 2.528 ( -3.435 -6.721 -5.845) 9.547 2.603 ( -5.117 2.954 4.932) 7.697 2.871 ( -3.462 -2.458 1.711) 4.578 3.218 ( -4.234 1.060 -1.611) 4.653 3.420 ( -5.814 3.481 1.284) 6.897 3.465 ( 3.888 -2.586 2.342) 5.224 3.710 ( -5.994 4.765 -2.392) 8.022 3.876 ( 5.221 2.915 2.214) 6.377 4.102 ( 2.431 -0.721 1.689) 3.047 4.266 ( -1.433 -5.790 0.173) 5.967 4.457 ( -1.908 3.090 -0.274) 3.642 4.565 ( 3.330 -2.485 -0.229) 4.161 4.643 ( 2.876 2.443 -4.425) 5.815 5.108 ( 0.105 -2.109 -1.555) 2.623 7.088 ( 0.575 0.725 0.197) 0.946 7.337 ( 11.771 5.637 0.263) 13.053 7.881 ( 0.404 0.137 -0.320) 0.533 8.325 ( -0.072 -0.407 -1.853) 1.899 8.991 ( 1.722 0.715 -5.151) 5.478 9.189 ( -11.022 -5.766 4.240) 13.142 9.630 ( -2.562 2.070 -0.059) 3.294 9.795 ( 3.306 -2.701 0.622) 4.314 9.899 ( 5.849 4.310 1.572) 7.434 10.460 ( 4.761 3.827 -8.710) 10.639 11.147 ( -3.186 -1.845 -0.079) 3.682 11.418 ( -7.417 -4.144 1.749) 8.675 ======================= Grid point 94 (19/102) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -6.664 -1.899 -3.126) 7.602 1.071 ( 10.681 4.803 1.710) 11.835 1.188 ( 13.318 3.394 9.039) 16.450 1.902 ( -0.977 5.618 2.809) 6.357 2.127 ( 2.002 -9.378 -2.133) 9.824 2.184 ( 1.154 -5.829 -0.943) 6.016 2.482 ( 0.296 3.803 0.343) 3.830 2.544 ( 10.767 8.459 -3.460) 14.123 2.603 ( 3.095 1.859 1.199) 3.805 2.835 ( 0.713 -0.352 2.367) 2.496 3.092 ( -11.446 0.496 3.154) 11.883 3.389 ( -1.024 2.576 -0.425) 2.804 3.489 ( 1.103 -1.696 2.762) 3.424 3.658 ( -5.190 4.160 -2.137) 6.986 3.970 ( 5.016 0.348 5.675) 7.582 4.156 ( 4.062 -2.667 -0.543) 4.889 4.194 ( -0.826 -2.886 0.564) 3.054 4.437 ( -4.931 3.418 -2.365) 6.449 4.563 ( -0.841 -1.370 -0.482) 1.678 4.668 ( 0.648 -2.471 -4.438) 5.121 5.101 ( 1.112 -1.059 -1.077) 1.875 7.108 ( 0.496 1.205 0.211) 1.320 7.618 ( 14.918 5.331 0.504) 15.850 7.896 ( 0.835 0.683 -0.424) 1.159 8.283 ( -3.468 -1.292 0.069) 3.702 8.917 ( -12.596 -6.034 3.085) 14.303 9.053 ( 3.044 0.531 -3.993) 5.049 9.611 ( -2.225 2.271 0.192) 3.185 9.817 ( 1.921 -1.820 0.190) 2.653 10.039 ( 5.893 3.558 1.404) 7.025 10.546 ( 2.510 2.204 -4.619) 5.700 11.079 ( -2.539 -1.533 -0.062) 2.967 11.255 ( -7.181 -3.947 0.713) 8.225 ======================= Grid point 95 (20/102) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.853 6.714 -1.187) 6.872 1.116 ( 1.015 -10.073 -2.283) 10.378 1.499 ( 14.147 6.404 3.480) 15.914 1.954 ( -0.206 8.560 0.946) 8.615 2.036 ( -0.597 -9.782 0.469) 9.812 2.134 ( 2.128 -7.692 1.328) 8.091 2.538 ( -0.446 3.107 3.918) 5.020 2.569 ( 0.840 -3.008 1.248) 3.364 2.769 ( -0.053 6.994 0.103) 6.995 2.901 ( -8.571 -0.159 3.691) 9.333 2.964 ( 8.790 6.510 -4.724) 11.915 3.384 ( -2.905 -4.480 -0.816) 5.402 3.450 ( -3.309 0.309 2.018) 3.888 3.630 ( -3.297 4.756 -2.476) 6.295 4.052 ( 2.430 -3.608 4.310) 6.124 4.130 ( 1.652 -0.262 1.516) 2.258 4.229 ( 2.344 -0.316 0.005) 2.365 4.352 ( -4.778 0.605 -0.967) 4.912 4.565 ( 1.985 1.242 -1.714) 2.902 4.648 ( 0.168 -2.289 -2.148) 3.144 5.109 ( 0.602 -1.293 -1.916) 2.388 7.123 ( 0.207 0.472 0.136) 0.533 7.887 ( 9.619 -3.554 -0.234) 10.257 7.942 ( 4.829 8.368 0.111) 9.662 8.177 ( -7.828 -2.412 0.596) 8.212 8.680 ( -7.527 -4.101 1.840) 8.767 9.110 ( 2.376 0.965 -2.333) 3.467 9.600 ( -1.177 1.299 0.329) 1.783 9.825 ( 0.372 -0.585 -0.135) 0.706 10.144 ( 2.952 1.520 1.073) 3.490 10.590 ( 0.815 1.035 -2.918) 3.202 11.046 ( -0.269 -0.405 0.058) 0.490 11.124 ( -4.148 -2.064 0.219) 4.638 ======================= Grid point 96 (21/102) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -1.317 -2.650 -0.923) 3.100 1.134 ( 8.108 0.143 0.859) 8.155 1.591 ( -7.314 -5.809 4.320) 10.291 1.918 ( 2.143 -8.207 -0.307) 8.488 2.053 ( -2.341 8.447 1.699) 8.929 2.174 ( 5.469 3.760 1.369) 6.777 2.489 ( -0.053 -4.624 2.147) 5.098 2.610 ( 3.237 0.711 3.070) 4.518 2.781 ( -1.216 -4.996 2.331) 5.646 2.848 ( 0.786 7.091 1.310) 7.254 3.102 ( -12.176 -7.140 1.042) 14.153 3.182 ( 0.154 3.453 -8.458) 9.137 3.421 ( -2.784 2.196 0.103) 3.547 3.627 ( -1.890 3.461 -2.476) 4.657 3.983 ( -3.025 -2.451 1.872) 4.320 4.174 ( -0.198 2.761 2.508) 3.736 4.234 ( 0.245 -2.902 0.179) 2.918 4.391 ( 6.907 -0.261 0.094) 6.912 4.610 ( -0.388 0.393 -0.111) 0.563 4.673 ( 5.130 2.230 -0.548) 5.621 5.085 ( -1.129 -2.736 -2.876) 4.127 7.121 ( -0.082 -0.992 0.080) 0.998 7.903 ( -5.629 3.004 0.119) 6.382 7.947 ( -7.854 -8.649 0.566) 11.697 8.155 ( 7.577 1.845 -0.217) 7.801 8.649 ( 4.640 2.634 0.540) 5.363 9.146 ( 0.734 1.267 -0.895) 1.716 9.599 ( 0.521 -0.236 0.330) 0.660 9.819 ( -1.241 0.852 -0.351) 1.546 10.145 ( -2.508 -2.162 1.147) 3.504 10.593 ( -1.026 0.039 -2.833) 3.014 11.043 ( 0.264 0.259 -0.049) 0.373 11.122 ( 3.734 2.118 0.178) 4.296 ======================= Grid point 97 (22/102) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 1.959 -5.001 -0.058) 5.371 1.170 ( -8.787 -6.969 7.975) 13.761 1.363 ( -5.628 -0.737 8.483) 10.207 1.891 ( 7.560 -12.141 0.225) 14.304 2.081 ( -6.229 10.652 -2.235) 12.540 2.270 ( -3.963 9.193 3.570) 10.628 2.459 ( 1.275 -5.617 -0.468) 5.779 2.593 ( -20.970 -15.210 -1.062) 25.927 2.716 ( 10.096 -4.770 -3.026) 11.569 2.777 ( 0.125 -0.778 3.925) 4.003 2.952 ( 3.146 7.411 1.360) 8.166 3.296 ( 2.309 5.523 -4.060) 7.233 3.405 ( -1.693 2.840 0.071) 3.307 3.645 ( -0.005 4.296 -2.634) 5.039 3.932 ( -1.951 -0.367 2.995) 3.594 4.179 ( -2.580 -0.815 0.179) 2.712 4.222 ( 2.876 0.003 1.837) 3.412 4.473 ( 3.026 -1.026 -1.609) 3.578 4.594 ( -0.764 -1.234 0.890) 1.702 4.769 ( 1.622 0.426 -0.189) 1.688 5.044 ( 0.513 -1.853 -2.991) 3.555 7.102 ( -0.635 -1.552 -0.025) 1.677 7.640 ( -14.346 -6.114 1.340) 15.653 7.902 ( -0.658 -0.440 -0.165) 0.809 8.252 ( 3.729 -0.015 -1.191) 3.915 8.817 ( 8.631 4.198 -1.195) 9.672 9.174 ( 1.225 2.668 1.050) 3.118 9.614 ( 2.106 -1.271 0.365) 2.486 9.799 ( -2.821 2.114 -0.481) 3.558 10.035 ( -5.746 -5.125 1.200) 7.793 10.558 ( -2.797 -0.717 -4.216) 5.110 11.079 ( 2.639 1.637 -0.097) 3.107 11.247 ( 6.917 3.964 0.473) 7.986 ======================= Grid point 98 (23/102) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -8.810 -8.086 8.772) 14.830 0.884 ( -10.696 -11.025 10.336) 18.515 1.363 ( 3.941 1.926 10.689) 11.554 1.734 ( -25.731 -11.932 5.039) 28.807 2.060 ( 2.202 -8.919 0.756) 9.218 2.077 ( -13.016 6.444 -2.626) 14.759 2.392 ( 4.565 2.917 -3.356) 6.373 2.437 ( 2.056 -3.659 -1.857) 4.589 2.794 ( 3.843 -2.648 2.032) 5.090 2.880 ( 6.026 4.670 -0.968) 7.685 3.090 ( 5.426 5.272 -2.034) 7.834 3.351 ( 1.076 0.559 -0.491) 1.309 3.429 ( 0.823 3.928 -0.014) 4.013 3.702 ( 0.190 5.904 -2.230) 6.314 3.885 ( -3.957 -0.396 2.119) 4.506 4.122 ( -1.326 -2.623 1.451) 3.278 4.290 ( 3.036 2.705 1.087) 4.209 4.482 ( 1.364 -3.771 -0.781) 4.086 4.550 ( -3.010 -1.904 0.431) 3.587 4.705 ( -5.531 -3.410 -2.011) 6.802 5.079 ( 3.198 -0.266 -2.211) 3.897 7.078 ( -0.683 -0.793 -0.226) 1.071 7.361 ( -11.328 -6.506 1.139) 13.113 7.891 ( -0.624 0.297 0.052) 0.693 8.291 ( 1.090 -0.757 -3.186) 3.452 8.944 ( 3.088 1.228 -4.078) 5.260 9.271 ( 5.812 5.072 4.410) 8.885 9.643 ( 2.943 -1.475 0.527) 3.334 9.765 ( -4.357 3.237 -0.501) 5.451 9.883 ( -5.034 -6.541 0.766) 8.289 10.479 ( -5.619 -2.122 -7.999) 10.003 11.147 ( 3.181 1.862 -0.069) 3.686 11.410 ( 7.455 4.385 1.566) 8.789 ======================= Grid point 99 (24/102) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -7.347 -13.899 12.123) 19.853 0.618 ( -5.624 -7.785 20.795) 22.905 1.018 ( -34.506 -12.682 11.988) 38.668 1.531 ( 6.162 5.316 10.487) 13.274 1.967 ( -6.354 4.532 -0.371) 7.814 2.006 ( 0.234 -8.957 1.275) 9.050 2.455 ( 2.752 -1.817 -1.608) 3.668 2.508 ( 0.964 2.489 -3.025) 4.034 2.879 ( 10.853 0.131 0.422) 10.862 3.010 ( 2.098 8.074 -3.773) 9.156 3.207 ( 3.326 3.089 -3.648) 5.823 3.360 ( 1.079 -0.620 3.543) 3.755 3.503 ( 3.910 2.716 -0.737) 4.818 3.730 ( -2.737 0.958 -1.756) 3.390 3.793 ( -6.314 1.143 -1.996) 6.720 4.100 ( 0.500 -0.538 5.008) 5.062 4.363 ( 2.968 1.566 0.310) 3.370 4.446 ( -1.385 -4.730 0.694) 4.978 4.483 ( -0.994 -1.076 -0.260) 1.488 4.579 ( -5.361 -2.919 -1.541) 6.296 5.092 ( -1.612 -2.811 -5.229) 6.151 7.068 ( -0.076 -0.107 -0.404) 0.425 7.155 ( -6.722 -4.182 0.396) 7.927 7.885 ( -0.487 0.300 0.166) 0.596 8.223 ( -8.872 -5.929 -10.567) 15.017 8.990 ( 2.561 1.462 -2.303) 3.742 9.428 ( 6.814 4.921 6.474) 10.609 9.680 ( 2.899 -1.091 0.734) 3.183 9.717 ( -4.968 3.356 -0.296) 6.003 9.763 ( -1.686 -5.883 -0.224) 6.124 10.277 ( -16.171 -8.098 -16.286) 24.337 11.208 ( 2.090 1.210 -0.041) 2.415 11.577 ( 7.755 4.570 3.618) 9.701 ======================= Grid point 101 (25/102) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 3.733 8.302 17.970) 20.144 0.709 ( 8.890 17.527 4.494) 20.160 1.367 ( -2.438 -1.863 7.152) 7.782 1.627 ( 10.966 27.536 8.779) 30.912 1.928 ( 0.547 -2.689 -0.591) 2.806 2.125 ( 3.075 8.081 0.436) 8.657 2.407 ( -1.146 -4.295 -3.993) 5.976 2.480 ( 1.147 -5.746 -6.233) 8.555 2.717 ( -6.694 -2.090 0.736) 7.052 2.898 ( -6.113 -7.825 1.536) 10.048 3.219 ( 3.238 -4.303 0.117) 5.386 3.376 ( 3.056 -0.874 1.048) 3.346 3.487 ( 0.256 -0.694 -0.722) 1.034 3.798 ( 3.759 -0.516 1.370) 4.034 3.860 ( -1.549 4.744 0.389) 5.006 4.082 ( -0.564 0.344 2.265) 2.360 4.312 ( -5.827 1.765 -1.026) 6.175 4.432 ( 4.619 -4.081 -0.395) 6.176 4.517 ( -0.448 3.350 -0.486) 3.415 4.655 ( 1.532 5.983 -2.364) 6.613 5.077 ( -0.520 -2.793 -2.977) 4.115 7.077 ( 0.949 0.319 -0.096) 1.006 7.282 ( 4.697 10.689 0.440) 11.684 7.884 ( -0.655 0.197 -0.007) 0.684 8.302 ( 2.126 0.336 -4.027) 4.566 8.968 ( 0.592 -1.419 -4.491) 4.747 9.286 ( -7.466 -6.898 4.900) 11.285 9.685 ( 4.230 -2.971 0.815) 5.233 9.735 ( -4.442 5.023 -0.035) 6.706 9.847 ( 5.806 3.914 0.257) 7.006 10.445 ( 3.143 7.121 -9.621) 12.375 11.166 ( -1.782 -3.044 -0.062) 3.528 11.459 ( -3.958 -7.576 2.178) 8.821 ======================= Grid point 102 (26/102) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 6.174 8.336 1.972) 10.559 1.047 ( 10.912 12.264 4.185) 16.940 1.257 ( -8.263 7.479 8.845) 14.228 1.919 ( 2.861 0.087 -1.575) 3.267 1.945 ( 3.918 -5.551 -1.150) 6.891 2.184 ( -3.080 2.281 1.801) 4.235 2.438 ( 0.770 -1.888 -7.831) 8.092 2.509 ( 10.649 13.278 0.300) 17.023 2.625 ( -3.241 -0.065 2.155) 3.893 2.782 ( 1.264 -5.429 4.158) 6.954 3.197 ( -1.651 -3.733 0.840) 4.167 3.416 ( 1.142 -0.126 1.089) 1.583 3.477 ( -0.881 0.375 0.646) 1.154 3.806 ( -3.909 2.480 3.436) 5.765 3.875 ( 2.020 -1.142 2.795) 3.633 4.096 ( 1.489 0.421 -0.036) 1.548 4.240 ( -4.764 3.216 -1.225) 5.877 4.485 ( 4.895 -3.230 -1.413) 6.032 4.526 ( -0.951 1.417 -1.427) 2.225 4.699 ( -2.853 2.735 -3.659) 5.386 5.037 ( 1.440 -5.342 -1.892) 5.847 7.109 ( 1.646 1.577 0.140) 2.284 7.491 ( 7.688 9.268 0.389) 12.048 7.881 ( 0.739 0.281 -0.292) 0.843 8.307 ( -0.429 -1.273 -0.853) 1.591 8.983 ( 3.077 -3.418 -3.652) 5.872 9.068 ( -10.960 -4.645 3.183) 12.322 9.708 ( -4.392 4.672 0.198) 6.415 9.736 ( 4.611 -2.338 0.412) 5.186 9.982 ( 5.539 4.222 0.782) 7.009 10.534 ( 1.990 3.372 -5.018) 6.365 11.100 ( -2.346 -2.822 -0.049) 3.670 11.309 ( -5.404 -6.860 0.947) 8.784 ======================= Grid point 103 (27/102) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.324 9.726 -8.642) 13.014 1.206 ( -9.292 8.117 4.764) 13.226 1.334 ( 10.825 7.616 4.997) 14.147 1.856 ( 6.720 -12.110 -3.084) 14.189 1.993 ( -0.996 -0.730 2.145) 2.475 2.138 ( -3.187 3.858 1.773) 5.309 2.450 ( 6.424 -4.786 -1.792) 8.209 2.572 ( -2.231 -0.784 3.887) 4.550 2.761 ( 3.993 -0.293 1.269) 4.200 2.920 ( 9.488 14.286 -3.204) 17.447 3.072 ( -9.035 -3.121 1.914) 9.748 3.395 ( -2.461 -0.612 0.344) 2.559 3.479 ( 0.074 -0.176 1.723) 1.734 3.749 ( -5.523 3.285 3.790) 7.461 3.920 ( 6.303 -2.852 4.103) 8.043 4.125 ( 0.674 1.594 -0.123) 1.735 4.230 ( -1.099 4.323 -1.796) 4.809 4.480 ( -5.704 -0.018 -0.766) 5.756 4.536 ( 2.291 -0.754 -2.671) 3.599 4.629 ( -2.661 -1.726 -2.902) 4.299 5.030 ( 3.731 -6.497 -2.183) 7.803 7.149 ( -0.187 3.212 0.031) 3.217 7.673 ( 8.769 -1.403 0.096) 8.881 7.943 ( 3.813 5.367 -0.109) 6.585 8.272 ( -3.202 0.179 -0.192) 3.213 8.806 ( -11.336 -4.802 2.557) 12.574 9.042 ( 4.189 -1.807 -2.480) 5.192 9.676 ( -4.216 3.641 0.327) 5.581 9.787 ( 3.135 -0.658 0.015) 3.204 10.102 ( 4.308 2.852 0.814) 5.230 10.585 ( 1.197 1.647 -2.859) 3.511 11.046 ( -1.084 -1.747 0.057) 2.057 11.161 ( -4.573 -5.491 0.350) 7.155 ======================= Grid point 104 (28/102) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -12.057 3.323 0.910) 12.540 1.109 ( 1.055 14.356 -5.271) 15.329 1.556 ( 7.140 -1.186 1.909) 7.486 1.796 ( -1.255 -13.465 -0.170) 13.524 2.025 ( 8.790 0.215 0.694) 8.820 2.186 ( -0.408 10.665 2.275) 10.913 2.459 ( -1.255 -6.040 -0.199) 6.173 2.579 ( 3.700 -0.128 6.051) 7.094 2.765 ( -3.691 -6.878 3.192) 8.434 2.896 ( -2.499 1.626 1.013) 3.149 3.172 ( 4.518 11.373 -5.840) 13.560 3.283 ( -9.866 -4.266 -0.135) 10.750 3.473 ( -0.957 0.936 -0.062) 1.340 3.696 ( -3.391 1.623 3.415) 5.079 3.991 ( 1.777 -1.130 0.082) 2.107 4.180 ( 2.642 4.609 2.425) 5.840 4.241 ( -1.973 1.537 -0.945) 2.673 4.352 ( -4.489 -0.452 -0.118) 4.513 4.604 ( 2.472 1.399 -0.510) 2.886 4.611 ( 3.472 -0.421 -2.095) 4.076 5.014 ( 2.775 -8.511 -3.334) 9.552 7.153 ( -2.662 2.762 -0.076) 3.836 7.765 ( 8.433 -8.514 -0.343) 11.988 8.053 ( 0.175 2.478 0.384) 2.513 8.195 ( -6.520 4.063 0.037) 7.682 8.653 ( -3.010 1.677 1.104) 3.618 9.092 ( 4.302 -2.893 -1.047) 5.289 9.642 ( -3.493 2.853 0.333) 4.522 9.824 ( 1.296 0.420 -0.133) 1.369 10.156 ( -0.075 -0.243 0.859) 0.896 10.604 ( -0.116 0.471 -2.184) 2.237 11.035 ( 0.495 -0.646 0.030) 0.814 11.081 ( 0.842 -2.062 0.154) 2.232 ======================= Grid point 106 (29/102) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -7.675 6.139 3.289) 10.364 1.258 ( -2.794 8.834 -1.048) 9.324 1.484 ( -7.338 -3.346 4.252) 9.117 1.669 ( 3.681 -13.383 0.017) 13.880 2.245 ( 13.241 1.609 -4.797) 14.175 2.265 ( -3.886 8.084 0.186) 8.972 2.352 ( -1.643 -8.122 3.696) 9.073 2.574 ( -1.927 -4.519 0.224) 4.918 2.656 ( 2.439 -4.221 5.850) 7.615 2.965 ( -17.527 -2.556 -0.084) 17.712 2.979 ( -0.095 4.589 3.002) 5.485 3.320 ( 2.155 7.228 -4.891) 8.989 3.464 ( -1.443 1.586 -0.915) 2.332 3.680 ( -0.408 2.569 2.191) 3.401 3.963 ( -2.483 -0.190 1.015) 2.689 4.176 ( -1.826 -2.240 -0.556) 2.943 4.268 ( -1.197 6.058 1.083) 6.269 4.377 ( 5.296 -1.423 -0.386) 5.498 4.587 ( -0.344 -2.312 1.270) 2.660 4.743 ( 4.390 4.499 -1.260) 6.411 4.970 ( 2.822 -8.351 -4.374) 9.841 7.123 ( -2.777 1.152 -0.068) 3.007 7.759 ( -2.087 -9.407 0.299) 9.640 7.930 ( -7.653 0.210 0.369) 7.665 8.224 ( 1.366 4.036 -0.829) 4.341 8.735 ( 6.388 5.867 -0.075) 8.673 9.128 ( 3.675 -3.275 0.140) 4.925 9.623 ( -1.869 2.824 0.412) 3.412 9.836 ( -0.313 0.240 -0.190) 0.438 10.091 ( -5.331 -2.858 0.888) 6.113 10.590 ( -1.638 -0.273 -2.715) 3.183 11.047 ( 1.985 0.161 -0.152) 1.997 11.154 ( 6.869 1.246 0.351) 6.990 ======================= Grid point 107 (30/102) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -7.904 1.702 7.162) 10.802 1.055 ( -17.236 -3.956 5.144) 18.417 1.370 ( -4.062 -2.259 8.190) 9.417 1.763 ( 10.089 2.948 -3.748) 11.159 2.113 ( -11.087 -11.309 2.535) 16.039 2.288 ( -0.548 -6.664 1.672) 6.892 2.408 ( 2.631 2.959 -5.052) 6.419 2.453 ( -19.811 2.246 -1.340) 19.982 2.637 ( 7.452 -1.112 -4.999) 9.042 2.767 ( 4.805 -1.396 7.222) 8.787 3.107 ( 3.370 7.487 3.179) 8.804 3.373 ( -1.272 3.042 -0.658) 3.363 3.469 ( -0.261 2.349 -1.709) 2.917 3.737 ( 1.959 5.200 1.363) 5.721 3.925 ( -1.741 -1.244 2.557) 3.334 4.117 ( -1.792 -2.914 -0.146) 3.424 4.320 ( -0.383 6.402 -1.166) 6.519 4.400 ( 2.050 -5.844 0.320) 6.201 4.561 ( -0.605 -1.701 0.025) 1.805 4.760 ( -3.527 -1.804 -2.208) 4.536 5.002 ( 5.600 -0.952 -3.105) 6.474 7.092 ( -1.740 0.471 -0.066) 1.804 7.527 ( -13.453 -4.729 0.855) 14.286 7.888 ( 0.138 -0.982 -0.079) 0.995 8.277 ( 1.395 2.183 -1.633) 3.062 8.899 ( 5.257 4.290 -2.533) 7.242 9.172 ( 6.340 -3.089 2.490) 7.479 9.637 ( -0.216 3.823 0.629) 3.880 9.813 ( -1.370 -2.514 -0.194) 2.869 9.954 ( -7.538 -1.357 0.591) 7.682 10.543 ( -3.584 -0.768 -4.735) 5.988 11.101 ( 3.597 0.585 -0.079) 3.645 11.303 ( 8.589 1.760 0.827) 8.806 ======================= Grid point 112 (31/102) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 8.524 8.386 2.117) 12.143 1.290 ( 0.600 12.334 -0.371) 12.354 1.418 ( -0.577 7.530 6.475) 9.948 1.628 ( 2.761 -14.443 -4.930) 15.508 2.101 ( -9.624 5.565 1.960) 11.288 2.247 ( -2.657 7.296 -0.353) 7.773 2.329 ( 0.679 -6.439 -1.552) 6.658 2.595 ( -0.098 -1.092 0.793) 1.353 2.647 ( 3.962 -5.008 4.723) 7.943 2.918 ( 9.737 19.044 -1.374) 21.433 3.084 ( 0.174 -7.326 2.362) 7.700 3.421 ( 2.198 -0.867 -1.208) 2.654 3.466 ( -1.156 -0.665 -1.558) 2.051 3.750 ( 3.296 -3.657 5.709) 7.539 3.924 ( -3.405 3.190 3.441) 5.797 4.135 ( 0.571 3.743 -0.757) 3.862 4.320 ( -3.524 3.193 -1.512) 4.990 4.412 ( 6.873 -3.568 -1.074) 7.818 4.546 ( -1.601 0.449 -0.007) 1.663 4.745 ( -7.660 2.168 -3.823) 8.831 4.899 ( 0.965 -9.004 -2.557) 9.410 7.154 ( 3.424 3.219 -0.048) 4.700 7.624 ( -2.351 2.529 0.133) 3.455 7.933 ( 3.906 6.183 0.181) 7.315 8.282 ( 1.148 -1.183 -0.782) 1.825 8.850 ( 0.858 -7.769 0.240) 7.820 9.034 ( -6.517 -1.073 0.099) 6.606 9.697 ( 4.410 -0.745 0.318) 4.484 9.797 ( -3.171 3.095 -0.069) 4.432 10.068 ( 3.553 4.671 0.672) 5.907 10.585 ( 0.848 1.902 -2.693) 3.404 11.048 ( -1.427 -2.327 -0.039) 2.730 11.170 ( -3.820 -7.159 0.394) 8.124 ======================= Grid point 113 (32/102) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -1.653 13.462 -6.448) 15.018 1.322 ( -8.396 3.788 2.853) 9.642 1.399 ( 6.544 -0.730 0.492) 6.603 1.657 ( 5.314 -9.300 -3.160) 11.167 2.008 ( -3.527 4.894 4.023) 7.251 2.246 ( 0.360 -0.487 4.012) 4.057 2.409 ( 4.074 6.327 -2.987) 8.096 2.533 ( -1.815 -3.273 8.392) 9.189 2.705 ( 4.815 -4.329 2.187) 6.834 2.960 ( -5.443 -5.821 -0.803) 8.010 3.194 ( 4.986 10.780 -5.201) 12.966 3.389 ( -4.780 -0.735 -2.360) 5.381 3.461 ( 1.599 -1.460 -1.141) 2.448 3.767 ( -1.674 0.972 8.922) 9.129 3.904 ( 2.506 -0.991 4.130) 4.931 4.213 ( 1.313 7.385 -0.141) 7.502 4.334 ( -0.985 5.367 -2.051) 5.829 4.442 ( -3.908 -3.168 0.239) 5.036 4.543 ( 3.097 1.235 -3.799) 5.055 4.600 ( -5.036 -0.775 -1.644) 5.354 4.853 ( 3.902 -11.409 -2.991) 12.423 7.239 ( -0.492 6.324 -0.209) 6.347 7.572 ( 2.490 -8.092 -0.293) 8.471 8.066 ( 2.686 5.642 0.624) 6.279 8.283 ( -1.086 0.753 -0.631) 1.464 8.764 ( -6.016 1.162 1.399) 6.285 8.976 ( 3.041 -5.180 -0.698) 6.047 9.732 ( -2.187 2.356 0.027) 3.214 9.795 ( 1.521 0.620 -0.152) 1.649 10.147 ( 1.714 1.724 0.814) 2.564 10.608 ( 0.338 0.863 -1.713) 1.948 11.019 ( 0.136 -1.010 0.124) 1.026 11.060 ( -1.909 -4.532 0.048) 4.918 ======================= Grid point 114 (33/102) ======================= q-point: (-0.56 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -11.690 8.318 1.419) 14.417 1.368 ( 2.947 8.893 -5.456) 10.841 1.500 ( 3.535 -5.059 3.102) 6.907 1.545 ( -4.739 -8.355 -2.914) 10.038 2.069 ( 4.945 2.322 0.197) 5.466 2.259 ( 2.833 -4.382 3.991) 6.569 2.444 ( -7.151 2.835 2.446) 8.072 2.551 ( 5.235 -1.650 7.082) 8.960 2.617 ( -5.276 -3.490 0.042) 6.326 2.944 ( 5.234 2.601 0.210) 5.849 3.223 ( -11.601 -1.953 -3.451) 12.260 3.351 ( 2.079 6.594 -4.029) 8.002 3.468 ( 0.741 -1.600 -1.976) 2.648 3.728 ( -3.105 2.764 7.885) 8.914 3.954 ( 3.310 -3.845 3.400) 6.107 4.250 ( -9.301 -0.359 -1.517) 9.431 4.306 ( 1.467 5.544 0.944) 5.812 4.373 ( -1.958 3.885 -1.396) 4.569 4.558 ( 0.635 -2.551 0.148) 2.633 4.698 ( 7.733 6.485 -2.453) 10.386 4.800 ( 4.289 -12.782 -4.352) 14.167 7.224 ( -6.224 3.995 -0.210) 7.399 7.597 ( 8.184 -7.437 -0.328) 11.063 8.071 ( -6.096 0.070 0.794) 6.148 8.268 ( -1.601 2.564 -0.686) 3.099 8.739 ( -0.386 6.152 0.550) 6.189 9.003 ( 5.627 -5.766 0.035) 8.057 9.704 ( -3.495 3.406 0.024) 4.880 9.822 ( 1.206 -1.264 -0.163) 1.755 10.144 ( -2.678 -0.503 0.865) 2.859 10.609 ( -0.807 0.085 -1.697) 1.881 11.021 ( 0.778 -0.741 -0.123) 1.082 11.056 ( 4.771 -0.415 0.241) 4.795 ======================= Grid point 118 (34/102) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -6.238 11.148 15.884) 20.383 0.895 ( -8.092 14.124 10.328) 19.278 1.371 ( 9.288 -3.708 7.516) 12.510 1.491 ( -17.131 29.687 3.936) 34.501 1.877 ( 2.848 -0.534 -1.811) 3.417 2.196 ( -7.255 6.421 2.458) 9.995 2.453 ( -0.644 -6.574 -5.326) 8.486 2.516 ( -4.115 -1.188 0.675) 4.336 2.740 ( 14.070 -3.166 -0.470) 14.429 2.872 ( 1.245 -4.158 1.974) 4.768 3.176 ( -1.632 -4.143 -5.362) 6.970 3.358 ( 1.949 -5.474 2.947) 6.516 3.489 ( -3.872 -0.697 -0.574) 3.976 3.652 ( 2.739 -3.794 -5.086) 6.911 3.834 ( -1.660 4.133 2.150) 4.946 4.116 ( -0.450 1.974 2.490) 3.209 4.341 ( -0.681 -2.083 0.653) 2.287 4.456 ( 4.050 2.167 1.188) 4.744 4.555 ( -3.443 1.316 -0.130) 3.688 4.651 ( -1.147 6.849 -3.346) 7.709 5.118 ( -0.174 -1.712 -1.496) 2.280 7.078 ( -0.629 0.507 -0.028) 0.809 7.292 ( -5.401 10.850 0.691) 12.140 7.878 ( 0.186 -0.011 -0.181) 0.260 8.318 ( -1.867 1.082 -3.582) 4.182 8.974 ( -0.920 -0.667 -4.887) 5.018 9.267 ( 7.438 -8.177 4.879) 12.083 9.653 ( 3.966 1.569 -0.321) 4.277 9.757 ( -6.185 -1.936 0.615) 6.510 9.871 ( -2.694 6.353 1.476) 7.057 10.423 ( -2.919 6.717 -10.636) 12.914 11.166 ( 1.778 -3.064 -0.072) 3.543 11.457 ( 4.013 -7.614 2.128) 8.866 ======================= Grid point 122 (35/102) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.000 -0.000 -3.176) 3.176 1.401 ( -1.514 -3.028 3.144) 4.620 1.401 ( 1.514 3.028 3.144) 4.620 1.499 ( -0.000 -0.000 -11.637) 11.637 2.144 ( -3.294 -6.589 3.424) 8.124 2.144 ( 3.294 6.589 3.424) 8.124 2.477 ( -0.000 0.000 13.176) 13.176 2.595 ( -3.048 -6.095 0.566) 6.838 2.595 ( 3.047 6.095 0.566) 6.838 2.894 ( 0.000 0.000 -3.454) 3.454 3.337 ( -1.886 -3.771 -5.784) 7.158 3.337 ( 1.886 3.771 -5.784) 7.158 3.448 ( -0.000 0.000 -0.357) 0.357 3.834 ( -2.598 -5.195 7.749) 9.684 3.834 ( 2.598 5.195 7.749) 9.684 4.352 ( 0.000 0.000 0.687) 0.687 4.382 ( -1.409 -2.818 -0.086) 3.152 4.382 ( 1.409 2.818 -0.086) 3.152 4.596 ( -2.450 -4.900 -5.769) 7.956 4.596 ( 2.450 4.900 -5.769) 7.956 4.667 ( -0.000 0.000 0.551) 0.551 7.394 ( -4.330 -8.659 -0.344) 9.687 7.394 ( 4.330 8.659 -0.344) 9.687 8.122 ( -0.000 -0.000 0.954) 0.954 8.293 ( -0.000 -0.000 -0.768) 0.768 8.851 ( -3.199 -6.398 0.395) 7.164 8.851 ( 3.199 6.398 0.395) 7.164 9.779 ( -1.133 -2.266 -0.215) 2.542 9.779 ( 1.133 2.266 -0.215) 2.542 10.165 ( 0.000 0.000 0.954) 0.954 10.617 ( -0.000 -0.000 -1.303) 1.303 11.010 ( -0.118 -0.237 0.029) 0.266 11.010 ( 0.118 0.237 0.029) 0.266 ======================= Grid point 128 (36/102) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -3.908 7.144 10.082) 12.960 1.029 ( -0.823 8.678 1.853) 8.911 1.303 ( 1.527 17.301 5.639) 18.261 1.824 ( -0.426 0.440 3.835) 3.884 1.996 ( -15.591 0.919 -3.665) 16.043 2.349 ( -5.499 1.698 -0.895) 5.824 2.426 ( 11.160 -3.286 2.346) 11.868 2.474 ( -5.275 5.723 -4.004) 8.753 2.616 ( 0.248 3.694 -0.616) 3.753 2.828 ( 0.137 -2.326 4.782) 5.319 3.093 ( 5.922 -7.555 1.733) 9.754 3.311 ( -3.558 -2.542 -1.852) 4.749 3.528 ( 0.470 1.269 0.508) 1.445 3.599 ( -0.947 -4.668 -5.869) 7.559 3.905 ( -4.618 -0.242 4.419) 6.396 4.159 ( -2.014 2.779 1.379) 3.699 4.332 ( 3.610 4.088 -0.680) 5.496 4.393 ( 2.737 -2.526 0.446) 3.751 4.577 ( 0.661 -0.678 0.156) 0.959 4.724 ( 0.598 5.289 -4.126) 6.734 5.087 ( -0.113 -3.664 -0.026) 3.666 7.098 ( -0.724 1.611 0.197) 1.777 7.530 ( -9.862 10.824 0.912) 14.672 7.881 ( -0.743 -0.305 -0.324) 0.866 8.313 ( 1.971 -0.884 -0.286) 2.179 9.004 ( -1.220 0.023 -4.003) 4.184 9.039 ( 8.395 -8.662 2.880) 12.401 9.614 ( 2.340 1.357 -0.260) 2.718 9.819 ( -2.732 -0.949 -0.011) 2.892 9.988 ( -4.289 5.728 2.127) 7.465 10.512 ( -2.658 2.711 -6.097) 7.182 11.100 ( 2.272 -2.847 -0.101) 3.644 11.306 ( 5.439 -6.928 0.897) 8.854 ======================= Grid point 129 (37/102) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -10.150 13.981 3.592) 17.647 1.065 ( -2.648 7.836 7.516) 11.176 1.375 ( -4.336 3.254 11.907) 13.083 1.886 ( 3.604 3.666 -2.352) 5.653 1.994 ( 11.742 10.596 1.500) 15.887 2.157 ( -12.046 -5.001 -0.427) 13.050 2.483 ( -5.535 13.998 -2.675) 15.288 2.501 ( -0.394 -0.189 1.280) 1.353 2.724 ( 8.148 0.267 -1.576) 8.303 2.801 ( 0.543 -3.608 7.632) 8.460 3.081 ( -4.872 -5.936 -5.637) 9.527 3.262 ( 3.604 -3.920 -0.851) 5.392 3.434 ( -5.329 -4.000 -1.798) 6.902 3.601 ( 3.757 -1.992 -4.782) 6.399 3.892 ( 1.227 2.095 4.438) 5.059 4.155 ( -0.607 1.474 1.173) 1.980 4.303 ( -4.313 -1.031 1.383) 4.645 4.478 ( 3.103 0.106 -1.506) 3.451 4.585 ( 0.070 1.279 0.760) 1.490 4.774 ( -1.129 4.561 -1.975) 5.097 5.055 ( 1.322 -3.881 -0.621) 4.147 7.106 ( -1.117 2.397 0.047) 2.645 7.518 ( -3.799 11.678 1.379) 12.357 7.881 ( 0.653 0.916 -0.252) 1.153 8.309 ( -1.386 -1.367 -0.885) 2.138 8.924 ( -2.517 -6.328 -3.045) 7.459 9.125 ( 7.488 -4.592 2.512) 9.136 9.683 ( 0.525 0.170 -0.490) 0.738 9.733 ( -2.099 0.536 0.046) 2.167 10.000 ( -2.391 6.848 1.687) 7.447 10.519 ( -0.271 3.618 -5.804) 6.844 11.099 ( 1.328 -3.528 -0.082) 3.770 11.302 ( 2.858 -8.179 0.745) 8.696 ======================= Grid point 138 (38/102) ======================= q-point: (-0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 4.952 8.872 0.745) 10.188 1.325 ( -5.532 12.051 -3.805) 13.796 1.434 ( 1.945 14.856 9.498) 17.739 1.804 ( -3.475 -5.607 6.229) 9.073 2.130 ( -3.365 -4.078 -6.475) 8.359 2.268 ( 4.230 2.066 1.125) 4.840 2.458 ( -4.160 2.343 1.435) 4.986 2.563 ( 0.052 -8.692 4.562) 9.816 2.640 ( -1.652 1.715 -0.875) 2.537 2.899 ( -4.463 8.196 -1.207) 9.411 2.929 ( 3.300 -3.545 2.593) 5.494 3.379 ( -3.657 0.719 -2.231) 4.344 3.507 ( 3.416 -0.236 -0.187) 3.430 3.558 ( 0.441 -4.483 -3.786) 5.884 3.982 ( -6.745 -5.076 3.693) 9.214 4.233 ( -2.751 3.802 0.986) 4.795 4.257 ( 8.349 3.220 1.386) 9.055 4.355 ( 1.228 1.326 -1.359) 2.261 4.557 ( 0.250 0.159 0.016) 0.297 4.713 ( 4.319 1.867 -3.060) 5.613 5.072 ( -2.688 -4.581 -0.263) 5.318 7.132 ( -0.333 3.251 0.263) 3.279 7.772 ( -9.307 -0.643 0.809) 9.364 7.918 ( -3.071 6.016 -0.190) 6.757 8.250 ( 4.739 0.013 0.223) 4.744 8.789 ( 10.408 -4.826 2.282) 11.698 9.057 ( -3.861 -2.266 -2.900) 5.334 9.604 ( 0.942 2.198 -0.258) 2.405 9.833 ( -0.085 -0.646 -0.328) 0.729 10.108 ( -4.034 3.538 1.675) 5.621 10.567 ( -1.832 0.974 -3.687) 4.231 11.049 ( 0.861 -1.586 -0.084) 1.807 11.156 ( 4.690 -5.686 0.385) 7.381 ======================= Grid point 139 (39/102) ======================= q-point: (-0.22 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 4.647 11.117 2.155) 12.241 1.285 ( -8.678 12.424 1.882) 15.271 1.569 ( -9.794 8.117 11.299) 17.014 1.810 ( 10.746 -3.495 4.665) 12.225 1.919 ( -7.518 -2.093 -5.640) 9.628 2.329 ( -9.124 -2.207 -0.038) 9.388 2.373 ( 8.635 -2.528 1.445) 9.113 2.609 ( 3.935 1.165 2.083) 4.603 2.663 ( 3.714 -0.078 3.111) 4.845 2.885 ( -7.499 13.205 -2.145) 15.336 3.009 ( 5.820 -0.953 1.161) 6.011 3.299 ( -6.968 0.030 -5.442) 8.841 3.484 ( -6.084 -6.110 -2.513) 8.981 3.533 ( 2.542 -1.721 -4.896) 5.779 3.865 ( 1.729 -3.917 4.701) 6.359 4.207 ( -3.885 2.693 1.388) 4.927 4.360 ( -0.128 1.188 0.079) 1.198 4.421 ( 3.322 2.768 -0.757) 4.390 4.574 ( 1.396 0.491 0.962) 1.765 4.810 ( 2.004 2.700 -2.099) 3.964 4.974 ( 0.765 -7.243 0.768) 7.323 7.163 ( -1.449 4.919 0.264) 5.135 7.652 ( -3.275 -0.181 1.157) 3.479 7.925 ( -2.886 6.312 -0.150) 6.942 8.304 ( 1.086 0.118 0.048) 1.094 8.870 ( 1.852 -8.462 1.328) 8.763 8.994 ( 3.217 -0.908 -1.766) 3.781 9.664 ( 2.271 3.191 -0.869) 4.012 9.789 ( -3.522 -1.691 -0.380) 3.926 10.096 ( -2.255 5.059 1.984) 5.884 10.556 ( -0.940 1.843 -3.992) 4.496 11.046 ( 1.213 -2.548 -0.117) 2.825 11.168 ( 4.028 -6.874 0.356) 7.975 ======================= Grid point 140 (40/102) ======================= q-point: (-0.11 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -14.760 0.342 -2.635) 14.997 1.299 ( -7.725 0.431 6.028) 9.808 1.473 ( -2.136 13.444 8.142) 15.862 1.876 ( 7.316 -3.083 -3.240) 8.575 2.040 ( 7.132 3.576 4.841) 9.332 2.156 ( -6.664 -1.297 3.647) 7.707 2.487 ( 5.025 -1.386 3.048) 6.039 2.652 ( 1.788 -1.443 0.177) 2.305 2.746 ( 6.300 -1.702 3.403) 7.360 2.924 ( -7.215 6.202 -4.334) 10.455 2.976 ( -8.247 9.512 -1.815) 12.720 3.193 ( 0.481 -4.158 -4.449) 6.109 3.378 ( -0.125 -0.928 -1.968) 2.180 3.571 ( 3.466 -1.118 -4.457) 5.756 3.925 ( 4.149 1.731 4.707) 6.509 4.167 ( -1.890 0.266 0.927) 2.122 4.309 ( -5.993 1.082 1.267) 6.220 4.465 ( 0.556 -1.726 -1.655) 2.455 4.597 ( 0.710 0.186 0.185) 0.757 4.754 ( -2.499 -6.282 1.154) 6.858 5.032 ( 4.981 1.739 -1.827) 5.584 7.153 ( -3.380 1.849 0.189) 3.857 7.701 ( 5.425 6.766 1.142) 8.747 7.943 ( -2.243 5.830 -0.122) 6.247 8.274 ( -3.601 -2.583 -0.186) 4.436 8.746 ( -2.485 -9.640 0.058) 9.956 9.093 ( 5.930 -0.216 -0.316) 5.942 9.658 ( -3.987 -1.916 -0.312) 4.434 9.772 ( 1.832 2.467 -0.590) 3.129 10.119 ( -1.117 4.956 1.615) 5.331 10.571 ( 0.321 1.845 -3.562) 4.024 11.043 ( 1.046 -1.885 -0.054) 2.156 11.157 ( 2.253 -6.452 0.204) 6.837 ======================= Grid point 146 (41/102) ======================= q-point: (-0.44 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.131 15.561 -0.585) 15.613 1.288 ( 10.029 9.018 0.858) 13.514 1.629 ( -3.730 3.056 5.265) 7.139 1.822 ( -4.550 -6.664 0.404) 8.079 2.117 ( 1.588 4.662 -0.265) 4.932 2.181 ( 8.395 -4.954 5.455) 11.170 2.451 ( -5.550 -7.150 4.967) 10.324 2.600 ( -3.422 3.146 3.125) 5.601 2.690 ( -5.295 -2.433 -2.312) 6.269 2.864 ( 2.125 3.909 1.230) 4.616 3.082 ( -4.906 6.681 -5.546) 9.973 3.338 ( 14.424 -4.718 -1.285) 15.231 3.396 ( 0.772 -1.901 -1.422) 2.496 3.550 ( -3.142 -3.236 -4.712) 6.523 3.975 ( -2.009 -9.998 2.390) 10.474 4.180 ( 3.841 3.823 0.917) 5.496 4.316 ( 2.116 6.377 1.114) 6.810 4.392 ( -2.912 5.388 1.586) 6.326 4.586 ( -1.994 1.265 -0.219) 2.371 4.663 ( 0.766 0.688 -1.088) 1.498 5.067 ( -1.950 -5.494 -1.175) 5.947 7.162 ( 1.377 4.131 0.268) 4.363 7.790 ( -3.044 -10.859 0.532) 11.291 8.044 ( 0.954 1.104 0.040) 1.459 8.201 ( 1.788 8.140 0.318) 8.340 8.650 ( 2.587 1.599 1.066) 3.223 9.086 ( -3.273 -4.007 -1.376) 5.353 9.623 ( 0.324 3.655 -0.309) 3.682 9.813 ( 1.031 -1.627 -0.567) 2.008 10.167 ( -0.111 0.567 1.411) 1.525 10.589 ( -0.259 -0.301 -2.879) 2.907 11.039 ( 0.344 -1.015 0.161) 1.084 11.077 ( -1.699 -1.718 -0.029) 2.417 ======================= Grid point 148 (42/102) ======================= q-point: (-0.33 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 2.246 19.117 2.025) 19.355 1.449 ( -0.769 1.246 -1.856) 2.364 1.643 ( 4.525 -1.830 8.921) 10.169 1.760 ( -1.760 8.136 7.215) 11.016 2.046 ( -9.897 -3.079 -8.980) 13.714 2.250 ( -0.035 -3.153 2.494) 4.020 2.320 ( 6.731 -13.181 9.338) 17.500 2.552 ( -3.148 4.855 1.703) 6.032 2.655 ( 0.249 -0.598 0.827) 1.050 2.950 ( 2.505 5.057 1.948) 5.970 3.114 ( -2.881 13.221 -6.591) 15.051 3.394 ( -2.047 0.785 -2.632) 3.425 3.472 ( -0.419 -3.929 -7.183) 8.198 3.487 ( 4.823 -2.083 -0.203) 5.258 3.768 ( -3.771 -14.732 0.030) 15.207 4.282 ( 1.515 1.968 -0.512) 2.536 4.378 ( -2.021 7.722 3.269) 8.625 4.433 ( 1.488 3.819 0.919) 4.201 4.583 ( -1.193 3.354 1.228) 3.765 4.731 ( 7.588 0.117 -1.489) 7.734 4.930 ( -4.786 -9.731 0.724) 10.868 7.241 ( 0.302 7.913 0.398) 7.928 7.628 ( -2.304 -10.713 0.775) 10.986 8.053 ( -2.798 4.948 0.070) 5.685 8.291 ( 1.644 3.221 0.236) 3.624 8.752 ( 6.067 1.373 1.186) 6.332 8.971 ( -3.411 -6.206 -1.312) 7.202 9.676 ( 0.987 4.548 -0.991) 4.758 9.803 ( -0.506 -2.265 -0.874) 2.480 10.164 ( -1.357 2.147 1.821) 3.125 10.581 ( -0.587 0.475 -2.920) 3.016 11.022 ( -0.816 -1.161 -0.076) 1.421 11.055 ( 2.534 -4.234 0.188) 4.938 ======================= Grid point 149 (43/102) ======================= q-point: (-0.22 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -11.481 3.986 0.516) 12.164 1.427 ( -5.624 0.318 3.246) 6.501 1.566 ( 0.724 0.993 4.360) 4.530 1.827 ( -2.840 -0.915 1.158) 3.200 1.999 ( 2.835 13.241 6.396) 14.976 2.202 ( 1.545 -8.677 -1.093) 8.881 2.334 ( 5.969 -3.815 4.295) 8.285 2.597 ( 3.235 0.511 5.298) 6.228 2.663 ( 1.593 -1.092 -0.607) 2.024 2.994 ( -1.984 -2.170 1.894) 3.497 3.196 ( -6.092 10.874 -8.612) 15.150 3.286 ( -8.772 2.408 -3.952) 9.918 3.389 ( -2.680 -1.166 -2.775) 4.031 3.498 ( 3.619 -2.099 -4.435) 6.097 3.780 ( 12.191 -3.885 1.920) 12.938 4.256 ( -5.143 1.906 0.657) 5.524 4.408 ( -3.134 2.470 0.914) 4.094 4.452 ( -0.882 0.234 0.999) 1.353 4.602 ( -0.827 2.734 0.240) 2.866 4.736 ( -4.139 -8.809 1.549) 9.856 4.915 ( 10.247 0.876 -0.440) 10.294 7.255 ( -6.185 3.075 0.398) 6.918 7.602 ( 8.196 -1.928 0.799) 8.457 8.051 ( -2.908 4.637 0.041) 5.473 8.307 ( -1.913 -0.395 0.285) 1.974 8.741 ( -5.219 -3.846 0.549) 6.506 8.977 ( 7.527 -0.669 -0.674) 7.587 9.701 ( -2.851 -0.288 -1.071) 3.059 9.777 ( 0.517 1.105 -0.832) 1.477 10.168 ( -0.819 2.015 1.809) 2.829 10.581 ( -0.076 0.722 -2.912) 3.002 11.015 ( 0.954 -0.213 -0.010) 0.978 11.061 ( 2.725 -3.901 0.098) 4.760 ======================= Grid point 158 (44/102) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.000 0.000 -0.468) 0.468 1.506 ( -4.161 -8.322 6.868) 11.564 1.506 ( 4.161 8.322 6.868) 11.564 1.852 ( -0.000 0.000 -6.990) 6.990 2.115 ( 0.000 0.000 6.929) 6.929 2.152 ( -2.750 -5.501 3.581) 7.116 2.152 ( 2.750 5.501 3.581) 7.116 2.619 ( -1.211 -2.421 1.853) 3.281 2.619 ( 1.211 2.421 1.853) 3.281 3.008 ( -0.000 0.000 3.365) 3.365 3.382 ( -2.952 -5.904 -10.878) 12.725 3.382 ( 2.952 5.905 -10.878) 12.725 3.418 ( 0.000 -0.000 -2.093) 2.093 3.496 ( -4.984 -9.967 1.410) 11.233 3.496 ( 4.984 9.967 1.410) 11.232 4.305 ( -0.000 0.000 -0.940) 0.940 4.464 ( -0.454 -0.909 2.109) 2.341 4.464 ( 0.454 0.909 2.109) 2.341 4.696 ( -0.000 0.000 1.476) 1.476 4.740 ( -2.435 -4.870 0.585) 5.476 4.740 ( 2.435 4.870 0.585) 5.476 7.420 ( -4.518 -9.035 0.614) 10.120 7.420 ( 4.518 9.035 0.614) 10.120 8.099 ( 0.000 0.000 0.014) 0.014 8.325 ( 0.000 0.000 0.462) 0.462 8.839 ( -3.057 -6.114 -0.052) 6.836 8.839 ( 3.057 6.114 -0.052) 6.836 9.752 ( -1.276 -2.552 -1.208) 3.098 9.752 ( 1.276 2.552 -1.208) 3.098 10.185 ( 0.000 0.000 1.921) 1.921 10.586 ( 0.000 -0.000 -2.666) 2.666 11.011 ( -0.253 -0.505 0.044) 0.567 11.011 ( 0.253 0.505 0.044) 0.567 ======================= Grid point 182 (45/102) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 -0.000 12.784) 12.784 0.663 ( 0.000 -0.000 12.784) 12.784 1.284 ( 0.000 -0.000 25.781) 25.781 1.897 ( 0.000 0.000 16.322) 16.322 1.951 ( 0.000 -0.000 0.106) 0.106 1.951 ( 0.000 0.000 0.106) 0.106 2.477 ( 0.000 0.000 -0.229) 0.229 2.477 ( 0.000 0.000 -0.229) 0.229 2.977 ( 0.000 -0.000 -5.049) 5.049 2.977 ( -0.000 0.000 -5.049) 5.049 3.112 ( -0.000 0.000 -11.436) 11.436 3.406 ( 0.000 0.000 -2.596) 2.596 3.556 ( -0.000 0.000 -3.292) 3.292 3.626 ( 0.000 0.000 -0.934) 0.934 3.626 ( 0.000 0.000 -0.934) 0.934 4.272 ( 0.000 0.000 7.481) 7.481 4.434 ( 0.000 -0.000 1.360) 1.360 4.434 ( -0.000 -0.000 1.360) 1.360 4.515 ( 0.000 -0.000 1.449) 1.449 4.515 ( 0.000 0.000 1.449) 1.449 4.786 ( -0.000 0.000 -8.666) 8.666 7.062 ( 0.000 -0.000 -0.432) 0.432 7.062 ( 0.000 0.000 -0.432) 0.432 7.882 ( -0.000 -0.000 0.115) 0.115 7.882 ( 0.000 0.000 0.115) 0.115 9.070 ( -0.000 0.000 0.701) 0.701 9.687 ( 0.000 -0.000 -0.151) 0.151 9.693 ( 0.000 -0.000 0.023) 0.023 9.693 ( 0.000 0.000 0.023) 0.023 9.733 ( 0.000 0.000 0.119) 0.119 9.733 ( 0.000 0.000 0.119) 0.119 11.232 ( 0.000 -0.000 -0.022) 0.022 11.712 ( -0.000 -0.000 -0.132) 0.132 ======================= Grid point 183 (46/102) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 14.940 -4.060 11.811) 19.472 0.974 ( 9.259 11.300 14.468) 20.560 1.302 ( 9.557 7.099 12.937) 17.581 1.727 ( -16.526 -4.653 11.102) 20.446 1.927 ( -0.164 2.490 3.416) 4.231 2.083 ( 9.109 1.335 1.701) 9.362 2.419 ( -1.444 -3.637 -1.578) 4.219 2.497 ( 0.123 -5.028 -4.334) 6.639 2.777 ( -7.335 -3.609 -0.496) 8.190 2.991 ( -3.045 -0.609 -1.098) 3.294 3.124 ( -2.151 4.143 -9.133) 10.257 3.436 ( 3.640 -1.611 0.210) 3.986 3.503 ( -3.395 0.456 0.752) 3.507 3.674 ( -1.673 6.235 -3.702) 7.442 3.725 ( 7.842 2.730 -1.789) 8.494 4.197 ( -3.420 -2.252 4.574) 6.139 4.364 ( -2.488 -4.958 1.142) 5.663 4.465 ( -0.176 1.517 1.202) 1.943 4.507 ( 3.351 -1.421 1.160) 3.820 4.547 ( 1.498 2.766 0.915) 3.276 4.960 ( 7.935 2.638 -8.541) 11.952 7.072 ( 0.720 0.156 -0.370) 0.824 7.138 ( 6.853 3.919 0.048) 7.894 7.877 ( -0.342 0.196 0.069) 0.400 8.085 ( 12.543 6.754 -5.320) 15.207 8.972 ( -5.578 -3.194 0.001) 6.428 9.491 ( -9.162 -4.789 3.300) 10.852 9.657 ( -2.355 0.938 0.235) 2.546 9.771 ( 3.290 -2.022 0.022) 3.862 9.800 ( 6.433 2.906 1.933) 7.318 10.012 ( 13.420 10.243 -8.997) 19.130 11.208 ( -2.142 -1.231 -0.039) 2.471 11.622 ( -6.957 -3.951 1.052) 8.070 ======================= Grid point 184 (47/102) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 5.218 -5.530 6.883) 10.256 1.119 ( 11.348 1.970 13.266) 17.569 1.372 ( -18.084 -0.459 9.683) 20.518 1.773 ( 21.130 14.593 2.038) 25.760 1.980 ( 2.186 4.418 1.288) 5.095 2.188 ( 3.868 -6.875 -1.187) 7.977 2.353 ( -1.127 -3.574 -1.965) 4.232 2.430 ( 1.278 -2.370 -4.112) 4.916 2.703 ( -3.504 1.880 5.388) 6.696 2.920 ( -1.585 -3.471 2.015) 4.315 3.121 ( -3.201 4.371 -7.806) 9.501 3.422 ( -3.313 0.221 -0.238) 3.329 3.517 ( 2.787 -0.152 2.235) 3.576 3.661 ( -6.814 6.888 -2.159) 9.926 3.903 ( 8.836 3.838 -0.019) 9.634 4.151 ( -0.235 -1.655 2.331) 2.868 4.283 ( -1.276 -5.279 1.562) 5.651 4.461 ( -0.760 -0.339 -0.001) 0.832 4.541 ( 2.588 -2.396 -0.322) 3.542 4.600 ( -0.271 3.600 0.101) 3.612 5.035 ( 2.220 -1.720 -5.734) 6.385 7.089 ( 0.732 0.842 -0.120) 1.122 7.350 ( 12.295 5.860 0.924) 13.652 7.877 ( 0.257 -0.031 -0.112) 0.282 8.270 ( 3.766 1.875 -3.291) 5.341 8.909 ( 0.331 0.212 -2.832) 2.859 9.267 ( -11.601 -6.286 3.389) 13.623 9.632 ( -2.402 2.097 0.308) 3.203 9.801 ( 2.662 -2.252 -0.115) 3.489 9.942 ( 6.720 3.239 2.743) 7.948 10.278 ( 8.434 6.812 -8.840) 13.988 11.145 ( -3.216 -1.843 -0.073) 3.707 11.447 ( -8.349 -4.692 1.079) 9.638 ======================= Grid point 185 (48/102) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -1.911 -9.205 -3.378) 9.990 1.174 ( -7.273 5.130 6.908) 11.267 1.400 ( 13.175 3.071 10.579) 17.173 1.949 ( 0.014 -4.022 -0.169) 4.026 2.109 ( 3.699 -2.041 2.103) 4.719 2.179 ( 2.196 -1.435 1.098) 2.844 2.433 ( 12.677 4.158 -2.929) 13.659 2.520 ( 3.844 9.073 -1.818) 10.019 2.657 ( -2.775 -0.099 4.356) 5.166 2.883 ( 0.486 -2.985 2.026) 3.640 3.084 ( -5.900 1.977 -3.807) 7.294 3.383 ( -1.812 1.645 -0.390) 2.478 3.517 ( -3.105 -0.379 0.462) 3.162 3.614 ( -5.063 5.184 -2.177) 7.566 4.080 ( 8.269 2.895 3.660) 9.495 4.147 ( 2.235 -3.096 -0.004) 3.819 4.228 ( 0.713 -4.715 2.737) 5.498 4.417 ( -6.454 2.933 0.912) 7.147 4.547 ( 0.976 -2.980 -1.644) 3.541 4.596 ( -0.900 -0.388 -1.643) 1.913 5.045 ( 1.472 -1.687 -4.455) 4.986 7.111 ( 0.517 1.211 0.058) 1.317 7.637 ( 14.987 5.225 1.266) 15.922 7.888 ( 0.809 0.539 -0.312) 1.021 8.274 ( -2.610 -0.773 -0.889) 2.864 8.934 ( -4.988 -1.110 -2.499) 5.688 9.022 ( -4.412 -3.980 2.000) 6.269 9.616 ( -2.140 2.369 0.315) 3.208 9.817 ( 1.629 -1.832 -0.242) 2.463 10.078 ( 5.825 2.750 2.483) 6.903 10.437 ( 4.724 4.061 -5.876) 8.563 11.078 ( -2.545 -1.458 -0.093) 2.934 11.268 ( -7.666 -4.267 0.523) 8.789 ======================= Grid point 186 (49/102) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 5.952 2.930 -2.376) 7.047 1.053 ( -4.825 -6.634 -2.637) 8.616 1.627 ( 9.925 2.096 7.417) 12.566 1.932 ( -0.505 0.257 -1.971) 2.050 2.095 ( 1.150 -2.622 4.789) 5.580 2.202 ( 3.026 -4.966 5.367) 7.913 2.589 ( 2.234 -1.286 -0.414) 2.611 2.626 ( -0.085 3.213 4.464) 5.501 2.744 ( 5.704 10.895 -1.870) 12.439 2.887 ( 3.435 0.870 -2.587) 4.387 2.962 ( -7.996 -0.504 1.845) 8.221 3.341 ( -6.219 -5.188 -3.567) 8.850 3.448 ( -3.154 2.272 -1.855) 4.307 3.584 ( -4.055 4.394 -1.330) 6.126 4.133 ( 0.619 -4.977 1.510) 5.238 4.204 ( 1.446 -0.854 6.966) 7.165 4.231 ( 2.895 0.423 0.628) 2.993 4.345 ( -2.057 2.338 0.286) 3.128 4.539 ( 2.067 -0.354 -0.958) 2.306 4.594 ( 0.890 -0.337 -2.899) 3.051 5.047 ( 0.497 -2.130 -4.222) 4.755 7.125 ( 0.205 0.400 0.103) 0.461 7.885 ( 6.769 -3.581 0.017) 7.658 7.948 ( 7.216 7.782 0.478) 10.623 8.185 ( -6.965 -1.854 0.131) 7.209 8.716 ( -8.361 -4.387 1.504) 9.560 9.064 ( 3.032 1.468 -2.023) 3.929 9.607 ( -1.159 1.388 0.332) 1.839 9.820 ( 0.218 -0.579 -0.266) 0.674 10.174 ( 2.921 1.077 1.982) 3.691 10.517 ( 1.446 1.778 -4.105) 4.701 11.046 ( -0.155 -0.220 -0.008) 0.270 11.128 ( -4.404 -2.293 0.224) 4.970 ======================= Grid point 187 (50/102) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -3.770 0.364 -2.309) 4.436 1.131 ( 15.848 -0.684 -1.499) 15.933 1.669 ( -5.363 -5.708 3.009) 8.390 1.934 ( 1.374 2.337 1.995) 3.365 2.110 ( -2.192 -2.925 4.291) 5.636 2.205 ( 5.687 -0.785 2.215) 6.154 2.539 ( -1.515 -5.203 1.595) 5.649 2.657 ( -1.108 0.840 1.493) 2.040 2.852 ( -3.415 0.358 3.512) 4.912 2.875 ( 2.503 6.275 1.965) 7.036 3.017 ( -6.866 -3.234 -7.817) 10.895 3.101 ( -1.903 0.999 -0.555) 2.220 3.427 ( -2.240 1.327 0.269) 2.618 3.569 ( -3.210 4.826 -2.530) 6.324 4.073 ( -0.861 -4.518 6.262) 7.770 4.211 ( -3.143 4.940 1.492) 6.042 4.239 ( 1.583 -3.494 0.286) 3.846 4.383 ( 4.039 -1.689 -0.566) 4.415 4.598 ( 0.249 1.694 -0.994) 1.980 4.650 ( 6.936 2.100 -1.843) 7.478 5.013 ( -1.098 -3.617 -4.165) 5.625 7.123 ( -0.068 -1.082 0.106) 1.089 7.899 ( -2.492 1.873 -0.365) 3.139 7.961 ( -10.227 -6.864 0.627) 12.333 8.157 ( 6.563 0.866 0.376) 6.630 8.671 ( 4.259 2.164 1.611) 5.042 9.114 ( 1.264 1.831 -2.214) 3.139 9.606 ( 0.493 -0.146 0.376) 0.637 9.813 ( -1.356 0.995 -0.186) 1.692 10.177 ( -2.139 -2.276 1.974) 3.695 10.520 ( -1.955 -0.123 -4.183) 4.619 11.043 ( 0.147 0.050 0.034) 0.159 11.127 ( 3.928 2.365 0.255) 4.592 ======================= Grid point 188 (51/102) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 2.945 2.000 0.034) 3.560 1.340 ( 1.105 -4.418 7.976) 9.185 1.480 ( -0.291 -1.986 2.704) 3.368 1.932 ( 2.474 -15.311 5.176) 16.350 2.034 ( -6.437 12.222 -2.765) 14.087 2.318 ( 1.777 3.397 0.073) 3.834 2.440 ( -9.526 -5.038 -2.053) 10.970 2.559 ( -12.299 -9.312 -0.219) 15.428 2.668 ( 1.917 -10.713 -1.124) 10.941 2.858 ( -0.252 2.931 3.277) 4.403 2.986 ( 1.487 8.488 0.662) 8.643 3.270 ( 5.853 6.337 1.771) 8.807 3.414 ( -0.797 1.532 1.010) 2.001 3.580 ( -1.110 6.017 -3.497) 7.047 4.023 ( -2.086 -2.596 5.626) 6.538 4.172 ( -2.119 -1.232 -0.788) 2.575 4.261 ( 2.526 -0.171 1.830) 3.124 4.429 ( 2.264 -0.193 -2.545) 3.412 4.602 ( -0.690 -0.026 -0.072) 0.694 4.746 ( 0.706 -0.460 -1.632) 1.836 4.974 ( 1.744 -2.545 -4.213) 5.222 7.103 ( -0.704 -1.667 0.095) 1.812 7.665 ( -14.307 -6.180 1.076) 15.621 7.897 ( -0.558 -0.229 -0.380) 0.713 8.232 ( 2.823 -0.912 -0.670) 3.042 8.810 ( 6.129 2.694 0.413) 6.708 9.172 ( 3.690 4.176 -1.153) 5.691 9.622 ( 2.091 -1.150 0.383) 2.417 9.794 ( -2.852 2.289 -0.027) 3.657 10.070 ( -5.485 -5.469 2.394) 8.108 10.452 ( -5.243 -1.557 -5.937) 8.072 11.077 ( 2.664 1.589 -0.082) 3.103 11.259 ( 7.405 4.307 0.677) 8.593 ======================= Grid point 189 (52/102) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.565 -2.810 7.510) 8.038 1.134 ( -8.775 -6.480 12.436) 16.542 1.588 ( 4.632 -2.302 10.791) 11.967 1.794 ( -12.732 -9.737 -0.324) 16.032 2.018 ( -12.422 9.192 -3.679) 15.885 2.086 ( -1.294 -2.910 3.187) 4.505 2.335 ( 0.477 -1.732 -2.896) 3.408 2.442 ( 2.549 -8.028 2.101) 8.681 2.729 ( 7.759 -1.207 -4.027) 8.825 2.894 ( 0.269 3.001 0.682) 3.090 3.079 ( 0.342 7.344 -1.360) 7.476 3.381 ( 2.938 1.942 3.385) 4.885 3.428 ( 0.841 1.901 0.588) 2.161 3.643 ( -0.498 7.421 -3.494) 8.217 3.919 ( -6.403 -4.166 0.620) 7.664 4.160 ( 1.473 0.089 2.540) 2.938 4.306 ( 3.051 -0.401 0.273) 3.089 4.454 ( 1.805 -1.185 -1.433) 2.591 4.564 ( -2.932 -2.154 0.710) 3.707 4.674 ( -5.290 -2.036 -0.494) 5.690 5.007 ( 2.454 -2.002 -5.222) 6.107 7.075 ( -0.840 -0.989 -0.028) 1.298 7.380 ( -11.909 -6.856 0.653) 13.757 7.889 ( -0.475 0.474 -0.203) 0.701 8.226 ( -2.324 -2.906 -2.928) 4.735 8.887 ( 2.447 1.255 -1.672) 3.218 9.330 ( 8.125 6.083 1.687) 10.289 9.652 ( 2.961 -1.407 0.294) 3.292 9.762 ( -4.125 3.251 0.243) 5.258 9.913 ( -5.464 -7.290 2.317) 9.401 10.307 ( -9.696 -3.730 -8.526) 13.439 11.146 ( 3.207 1.874 -0.078) 3.715 11.439 ( 8.463 4.976 1.263) 9.898 ======================= Grid point 190 (53/102) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -3.581 -14.803 11.682) 19.194 0.965 ( -15.321 -2.106 13.275) 20.381 1.297 ( -10.318 -4.673 13.357) 17.513 1.790 ( 6.270 6.500 14.497) 17.080 1.965 ( -7.223 7.806 0.427) 10.644 2.034 ( 0.171 -11.112 1.857) 11.267 2.432 ( 6.950 3.632 -4.507) 9.045 2.440 ( 3.884 -4.338 0.148) 5.825 2.851 ( 8.555 -1.219 -3.716) 9.406 2.924 ( -1.329 6.953 -3.240) 7.785 3.131 ( -1.067 3.773 -5.093) 6.428 3.411 ( 1.710 -2.163 1.768) 3.275 3.493 ( 2.837 3.532 0.106) 4.531 3.661 ( -3.914 3.123 -4.294) 6.596 3.753 ( -7.578 -4.615 -2.245) 9.152 4.208 ( 3.077 1.729 4.960) 6.088 4.364 ( 4.840 -0.063 0.334) 4.852 4.466 ( -0.832 -1.475 1.396) 2.195 4.489 ( -1.131 -0.691 0.915) 1.611 4.576 ( -4.168 -1.840 0.863) 4.637 4.956 ( -5.776 -5.347 -8.217) 11.379 7.060 ( -0.161 -0.349 -0.276) 0.473 7.157 ( -7.678 -4.478 -0.203) 8.891 7.887 ( -0.419 0.395 -0.001) 0.576 8.067 ( -10.752 -6.940 -5.022) 13.747 8.973 ( 5.592 3.264 0.028) 6.475 9.518 ( 7.426 5.315 2.818) 9.557 9.691 ( 3.220 -1.400 0.048) 3.512 9.719 ( -5.171 3.871 0.670) 6.494 9.769 ( -2.519 -7.492 0.987) 7.966 10.041 ( -15.769 -7.129 -8.257) 19.174 11.208 ( 2.122 1.231 -0.040) 2.454 11.620 ( 7.138 4.185 1.128) 8.351 ======================= Grid point 192 (54/102) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 6.392 13.921 10.449) 18.543 1.040 ( -1.195 0.358 16.264) 16.312 1.512 ( 2.907 5.139 5.544) 8.099 1.805 ( 2.069 12.990 8.412) 15.614 1.896 ( -4.352 -3.466 -2.137) 5.960 2.149 ( 3.865 5.492 2.006) 7.009 2.334 ( -3.147 -4.287 -2.405) 5.836 2.372 ( 2.646 -2.082 -4.634) 5.728 2.721 ( -2.181 -5.400 1.103) 5.927 2.931 ( -2.104 -3.248 0.492) 3.901 3.176 ( 1.211 0.086 -5.165) 5.306 3.410 ( 2.539 -0.567 3.337) 4.231 3.476 ( 0.797 -2.619 -0.350) 2.760 3.771 ( 4.385 1.062 -4.766) 6.563 3.844 ( 1.209 7.766 -1.003) 7.923 4.151 ( -1.903 -2.029 3.512) 4.480 4.292 ( -3.155 -1.070 -0.182) 3.337 4.434 ( 0.189 -2.688 0.640) 2.770 4.527 ( -0.113 2.670 1.374) 3.005 4.637 ( 0.839 5.068 0.874) 5.211 4.985 ( 0.555 -0.988 -6.324) 6.424 7.075 ( 1.296 0.451 -0.129) 1.378 7.294 ( 4.743 11.372 0.657) 12.339 7.882 ( -0.926 0.095 -0.177) 0.947 8.217 ( 5.121 4.656 -3.906) 7.948 8.907 ( -0.910 -2.459 -1.728) 3.140 9.361 ( -7.665 -8.326 2.603) 11.612 9.694 ( 3.386 -2.403 0.009) 4.152 9.740 ( -3.609 4.041 0.458) 5.438 9.867 ( 6.534 4.326 1.903) 8.064 10.253 ( 5.158 11.505 -8.939) 15.456 11.164 ( -1.794 -3.068 -0.066) 3.555 11.494 ( -4.548 -8.497 1.271) 9.721 ======================= Grid point 193 (55/102) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -10.463 5.946 3.183) 12.448 1.220 ( 13.674 7.964 10.984) 19.263 1.462 ( -9.855 6.610 11.101) 16.249 1.813 ( 3.889 -15.445 -6.715) 17.285 1.987 ( 4.359 7.725 2.577) 9.237 2.202 ( -3.530 -0.958 0.000) 3.658 2.335 ( 5.210 6.337 -1.251) 8.298 2.510 ( 8.053 10.091 -0.944) 12.945 2.670 ( 1.340 -4.674 2.699) 5.561 2.855 ( -2.022 -2.550 2.246) 3.954 3.168 ( -2.177 -0.043 -3.766) 4.350 3.414 ( -1.315 -0.748 -0.606) 1.630 3.494 ( 2.917 -2.339 0.983) 3.865 3.794 ( -4.533 5.035 -4.108) 7.923 3.944 ( 5.882 0.171 3.037) 6.622 4.125 ( 0.112 -0.599 2.419) 2.495 4.227 ( -3.974 0.770 0.351) 4.063 4.448 ( 3.917 -1.895 -1.957) 4.771 4.527 ( -2.178 1.486 1.706) 3.141 4.661 ( -3.442 2.440 0.199) 4.224 4.970 ( 2.217 -5.228 -4.903) 7.502 7.111 ( 1.758 1.570 0.056) 2.357 7.509 ( 7.715 9.454 1.283) 12.269 7.874 ( 0.582 0.283 -0.351) 0.736 8.286 ( 0.984 -0.303 -1.185) 1.569 8.919 ( 3.314 0.118 -2.689) 4.269 9.123 ( -11.358 -7.781 2.263) 13.952 9.711 ( -4.241 5.031 0.156) 6.582 9.739 ( 4.182 -3.186 -0.229) 5.263 10.011 ( 5.894 3.877 2.236) 7.400 10.414 ( 3.921 6.383 -6.541) 9.945 11.099 ( -2.318 -2.802 -0.075) 3.637 11.326 ( -5.928 -7.460 0.703) 9.555 ======================= Grid point 194 (56/102) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -3.837 10.529 -4.535) 12.089 1.295 ( -16.565 4.469 3.434) 17.498 1.485 ( 10.558 4.192 9.316) 14.691 1.812 ( 8.372 -7.653 -1.251) 11.412 2.066 ( -0.597 -0.440 5.017) 5.072 2.165 ( 1.387 2.227 1.342) 2.947 2.461 ( 6.831 -2.825 2.704) 7.871 2.646 ( 0.416 1.259 2.714) 3.021 2.750 ( 5.368 6.058 -2.782) 8.558 2.863 ( 2.620 5.401 -2.083) 6.354 3.088 ( -6.455 -2.444 -0.380) 6.912 3.373 ( -2.588 -1.934 -2.138) 3.875 3.487 ( -0.393 -2.792 -0.557) 2.874 3.743 ( -7.637 7.041 -4.054) 11.151 4.028 ( 6.041 -5.312 4.625) 9.279 4.145 ( 2.126 2.049 2.656) 3.972 4.210 ( 0.102 3.142 -0.042) 3.144 4.478 ( -5.478 1.844 1.095) 5.882 4.498 ( 2.039 -1.523 -0.817) 2.673 4.593 ( -2.597 -0.027 -0.597) 2.665 4.966 ( 3.540 -6.740 -4.181) 8.686 7.151 ( -0.208 3.106 0.147) 3.117 7.684 ( 8.237 -2.077 0.922) 8.545 7.941 ( 4.043 6.088 -0.114) 7.310 8.268 ( -2.589 0.099 -0.211) 2.600 8.853 ( -12.305 -5.296 1.827) 13.521 8.994 ( 5.128 -0.511 -2.059) 5.550 9.679 ( -4.094 3.249 -0.049) 5.227 9.783 ( 3.097 -0.944 -0.457) 3.270 10.130 ( 4.275 2.571 1.986) 5.370 10.510 ( 2.096 3.222 -4.335) 5.793 11.047 ( -0.965 -1.624 -0.009) 1.889 11.168 ( -4.877 -5.817 0.264) 7.596 ======================= Grid point 195 (57/102) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 5.753 10.455 -4.621) 12.796 1.075 ( -13.887 8.110 0.240) 16.084 1.637 ( 4.271 -2.059 4.689) 6.668 1.820 ( 3.604 -11.368 3.756) 12.503 2.088 ( 3.482 1.593 4.651) 6.025 2.218 ( -1.630 7.925 1.062) 8.160 2.473 ( 1.947 -7.426 1.719) 7.867 2.694 ( -0.447 1.084 4.483) 4.634 2.831 ( 0.844 -3.038 2.221) 3.857 2.908 ( -0.397 -0.286 0.895) 1.020 3.039 ( 2.177 8.234 -6.493) 10.709 3.249 ( -9.562 -2.464 -3.262) 10.400 3.456 ( -0.734 -1.375 -1.381) 2.082 3.696 ( -5.691 6.444 -3.832) 9.412 4.036 ( 1.187 -3.640 4.422) 5.849 4.218 ( 0.253 2.359 1.242) 2.678 4.253 ( 2.709 1.902 1.843) 3.789 4.367 ( -5.609 -0.046 1.923) 5.930 4.558 ( 5.991 2.037 -1.999) 6.636 4.604 ( 1.245 0.757 -0.461) 1.528 4.941 ( 2.252 -8.769 -3.761) 9.804 7.154 ( -2.648 2.664 0.146) 3.760 7.765 ( 8.158 -8.372 0.297) 11.693 8.059 ( 0.567 3.139 0.176) 3.195 8.198 ( -6.375 3.064 0.297) 7.079 8.679 ( -3.719 1.057 1.413) 4.116 9.065 ( 4.434 -1.668 -1.645) 5.014 9.643 ( -3.171 2.304 -0.166) 3.923 9.818 ( 1.397 0.264 -0.427) 1.485 10.183 ( 0.037 -0.212 1.835) 1.848 10.544 ( -0.477 1.056 -3.598) 3.780 11.037 ( 0.176 -0.794 0.135) 0.825 11.084 ( 1.129 -1.985 0.065) 2.285 ======================= Grid point 197 (58/102) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -6.526 11.599 2.924) 13.626 1.222 ( 8.358 8.807 -2.764) 12.452 1.544 ( -6.664 -7.170 2.247) 10.043 1.755 ( 1.506 -13.350 8.395) 15.842 2.185 ( 6.454 -0.878 -1.454) 6.674 2.255 ( -4.546 9.226 -0.820) 10.318 2.437 ( 1.147 -4.595 4.425) 6.482 2.565 ( -4.369 -8.954 -0.472) 9.975 2.771 ( -4.949 -4.490 2.384) 7.095 2.932 ( -13.118 -2.019 -1.203) 13.327 3.021 ( 4.557 6.313 1.078) 7.860 3.257 ( 4.384 9.294 -0.997) 10.324 3.435 ( -0.580 -0.477 -1.810) 1.960 3.679 ( -3.460 6.596 -3.125) 8.077 4.020 ( -0.206 -1.615 5.282) 5.527 4.177 ( -2.261 -2.701 0.593) 3.572 4.293 ( -2.770 3.695 1.306) 4.799 4.362 ( 4.275 -0.551 -0.956) 4.415 4.610 ( -0.116 -1.137 0.925) 1.471 4.706 ( 5.237 3.886 -2.538) 6.998 4.886 ( 2.617 -8.674 -3.662) 9.772 7.124 ( -2.758 1.120 0.121) 2.980 7.770 ( -0.406 -9.201 0.777) 9.243 7.936 ( -9.103 0.031 0.161) 9.104 8.211 ( 0.777 3.684 -0.350) 3.781 8.746 ( 5.379 5.262 1.134) 7.610 9.113 ( 4.273 -2.212 -1.524) 5.047 9.626 ( -1.461 2.418 -0.113) 2.827 9.831 ( -0.203 0.192 -0.286) 0.399 10.121 ( -5.164 -2.931 2.120) 6.305 10.516 ( -3.340 -0.256 -4.441) 5.563 11.045 ( 1.994 0.129 -0.112) 2.001 11.163 ( 7.126 1.353 0.431) 7.266 ======================= Grid point 198 (59/102) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -5.089 9.880 7.993) 13.689 1.198 ( -9.874 -10.831 8.411) 16.898 1.532 ( 2.288 3.766 4.715) 6.454 1.678 ( 7.553 -4.523 -1.414) 8.916 2.166 ( -6.741 -9.122 2.707) 11.661 2.262 ( 3.813 -1.720 -5.651) 7.031 2.346 ( -9.568 -5.274 1.842) 11.079 2.461 ( -17.452 2.786 -0.820) 17.692 2.577 ( 7.363 2.075 -0.127) 7.651 2.880 ( 2.607 -0.722 3.809) 4.672 3.134 ( 1.804 5.402 -0.980) 5.779 3.385 ( 1.307 5.115 2.667) 5.915 3.434 ( 0.565 0.868 -1.739) 2.024 3.724 ( -0.118 8.206 -3.430) 8.895 3.972 ( -3.647 -3.235 2.223) 5.358 4.132 ( 0.206 -1.505 2.091) 2.584 4.294 ( -0.489 1.170 -1.397) 1.887 4.402 ( 2.138 -1.873 0.062) 2.843 4.578 ( -1.391 -2.365 1.375) 3.069 4.723 ( -2.795 -2.111 -0.868) 3.608 4.925 ( 5.720 -0.759 -4.794) 7.502 7.092 ( -1.875 0.535 0.059) 1.951 7.549 ( -13.565 -5.014 1.186) 14.510 7.884 ( 0.260 -1.070 -0.311) 1.144 8.247 ( -0.297 2.200 -1.205) 2.526 8.863 ( 2.452 2.834 -1.070) 3.897 9.201 ( 9.120 -1.547 0.491) 9.264 9.644 ( 0.120 3.664 -0.002) 3.666 9.811 ( -1.314 -2.231 -0.073) 2.590 9.983 ( -7.622 -1.755 2.362) 8.171 10.426 ( -6.937 -1.162 -6.538) 9.603 11.099 ( 3.632 0.619 -0.104) 3.685 11.321 ( 9.358 1.908 0.821) 9.586 ======================= Grid point 203 (60/102) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -4.997 9.563 2.243) 11.021 1.355 ( 8.037 3.918 5.125) 10.306 1.471 ( -2.371 -7.304 -2.419) 8.051 1.627 ( 2.861 0.439 7.301) 7.854 2.137 ( -5.109 -1.069 1.689) 5.486 2.215 ( -2.053 14.023 -0.786) 14.194 2.389 ( -0.705 -1.524 5.218) 5.482 2.575 ( 7.147 -3.693 -1.642) 8.211 2.720 ( 1.433 4.318 -0.378) 4.566 2.897 ( 3.755 10.601 0.396) 11.253 3.107 ( -1.137 -6.292 0.089) 6.395 3.387 ( 0.022 -3.945 -1.627) 4.267 3.432 ( 1.359 -2.256 -1.825) 3.204 3.810 ( 5.869 -1.209 -2.638) 6.547 3.972 ( -2.848 1.947 3.393) 4.839 4.144 ( 1.027 3.035 1.917) 3.733 4.284 ( -3.187 3.703 -1.785) 5.201 4.410 ( 4.789 -1.817 0.665) 5.165 4.562 ( -2.877 1.443 1.694) 3.637 4.696 ( -7.353 1.586 -0.584) 7.544 4.832 ( 1.955 -9.023 -4.186) 10.137 7.155 ( 3.441 3.131 0.143) 4.655 7.636 ( -2.849 1.748 0.998) 3.488 7.935 ( 4.160 7.099 0.000) 8.228 8.269 ( 1.558 -1.044 -0.413) 1.920 8.860 ( 3.313 -6.320 0.743) 7.175 9.026 ( -8.582 -1.950 -0.881) 8.845 9.694 ( 4.087 -1.169 -0.545) 4.286 9.793 ( -3.233 2.785 -0.371) 4.283 10.095 ( 3.472 4.768 2.131) 6.271 10.511 ( 1.861 3.685 -4.432) 6.056 11.047 ( -1.303 -2.376 -0.098) 2.712 11.178 ( -4.081 -7.455 0.401) 8.508 ======================= Grid point 204 (61/102) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -4.450 15.353 -3.511) 16.366 1.316 ( -7.223 -0.376 -1.244) 7.339 1.516 ( 7.150 -1.125 7.298) 10.278 1.654 ( 2.798 -9.216 3.816) 10.360 2.114 ( -1.116 5.120 6.256) 8.161 2.337 ( -1.211 12.771 1.149) 12.879 2.358 ( 2.202 -4.707 1.624) 5.444 2.677 ( 4.731 0.918 4.426) 6.543 2.740 ( 4.419 -2.457 1.165) 5.189 2.950 ( -7.082 -7.795 0.265) 10.535 3.077 ( 2.434 8.114 -5.905) 10.326 3.319 ( -2.762 -4.478 -3.911) 6.556 3.432 ( 0.813 -1.463 -1.846) 2.492 3.847 ( -3.738 3.626 -3.038) 6.030 3.957 ( 2.700 -2.237 2.264) 4.174 4.232 ( 2.950 7.164 1.825) 7.960 4.306 ( -1.651 6.127 -0.518) 6.366 4.460 ( -1.197 -2.078 1.688) 2.932 4.499 ( -1.920 -0.050 0.534) 1.993 4.586 ( -1.258 -1.396 -0.238) 1.894 4.795 ( 3.227 -9.881 -2.568) 10.707 7.239 ( -0.505 6.248 0.199) 6.271 7.574 ( 2.345 -8.324 0.489) 8.662 8.076 ( 2.657 6.157 0.319) 6.713 8.276 ( -0.785 0.599 -0.064) 0.990 8.793 ( -6.437 -0.097 1.318) 6.571 8.957 ( 3.363 -3.652 -1.120) 5.089 9.723 ( -2.010 1.813 -0.831) 2.832 9.785 ( 1.440 0.338 -0.730) 1.649 10.175 ( 1.667 1.945 1.986) 3.242 10.558 ( 0.522 1.704 -3.232) 3.691 11.021 ( 0.418 -1.008 0.059) 1.093 11.061 ( -2.218 -4.683 0.099) 5.182 ======================= Grid point 205 (62/102) ======================= q-point: (-0.56 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -5.423 8.284 0.324) 9.906 1.269 ( -0.396 9.349 -3.853) 10.120 1.527 ( -2.043 -9.568 1.601) 9.914 1.625 ( 4.788 -4.599 8.738) 10.974 2.129 ( -1.487 2.042 4.705) 5.340 2.348 ( 3.828 -4.227 4.340) 7.166 2.429 ( -4.886 9.253 -1.483) 10.568 2.610 ( -9.132 -8.184 -0.737) 12.285 2.737 ( 1.364 -2.395 7.977) 8.440 2.945 ( 9.334 2.233 0.553) 9.614 3.111 ( -7.385 -0.449 -6.742) 10.010 3.276 ( 2.494 3.555 -3.458) 5.551 3.427 ( -0.025 -0.871 -2.265) 2.427 3.810 ( -4.608 5.261 -2.087) 7.299 3.983 ( 2.452 -2.806 1.472) 4.007 4.244 ( -7.835 0.248 0.858) 7.886 4.329 ( 0.209 2.965 0.892) 3.103 4.380 ( -3.007 3.403 2.183) 5.039 4.563 ( 3.638 -2.164 0.168) 4.237 4.645 ( 8.180 2.591 -2.457) 8.925 4.742 ( 1.856 -9.036 -1.136) 9.295 7.224 ( -6.183 3.986 0.181) 7.359 7.599 ( 8.400 -7.385 0.474) 11.195 8.084 ( -6.223 0.103 0.445) 6.240 8.259 ( -1.802 2.361 -0.163) 2.975 8.755 ( -0.367 5.977 1.015) 6.074 8.995 ( 5.307 -5.268 -0.845) 7.525 9.696 ( -3.104 3.053 -0.806) 4.427 9.812 ( 1.468 -1.408 -0.760) 2.171 10.174 ( -2.732 -0.413 2.049) 3.440 10.558 ( -1.640 0.356 -3.264) 3.670 11.019 ( 0.655 -0.736 -0.070) 0.988 11.061 ( 4.986 -0.440 0.231) 5.011 ======================= Grid point 209 (63/102) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -3.906 3.106 13.401) 14.300 1.088 ( -7.936 11.239 8.258) 16.047 1.532 ( 13.332 3.583 7.328) 15.629 1.601 ( -7.620 16.692 4.695) 18.940 1.878 ( -2.138 -2.256 3.328) 4.553 2.215 ( -6.537 1.594 -0.522) 6.749 2.366 ( 0.056 -3.654 -2.445) 4.397 2.539 ( -2.333 2.105 -1.403) 3.441 2.679 ( 9.462 -4.024 -0.813) 10.314 2.948 ( -2.599 -0.705 2.617) 3.755 3.046 ( 1.020 -4.197 -6.642) 7.923 3.407 ( 2.192 -5.440 1.408) 6.032 3.479 ( -5.045 -1.075 0.425) 5.176 3.585 ( 2.943 -3.789 -1.440) 5.010 3.867 ( -3.440 8.001 0.271) 8.713 4.171 ( 0.805 -1.003 2.712) 3.002 4.352 ( 0.896 -1.286 0.220) 1.583 4.481 ( 1.381 -1.411 1.189) 2.305 4.537 ( -3.022 3.916 -0.562) 4.978 4.603 ( 1.193 4.553 -1.240) 4.867 5.044 ( -1.602 1.320 -5.927) 6.280 7.076 ( -0.848 0.659 -0.099) 1.078 7.303 ( -5.625 11.681 0.436) 12.972 7.876 ( 0.351 -0.137 -0.015) 0.377 8.233 ( -4.857 5.685 -4.305) 8.628 8.908 ( 0.836 -2.243 -1.863) 3.034 9.346 ( 7.503 -9.284 3.037) 12.317 9.655 ( 4.029 1.465 0.467) 4.313 9.763 ( -5.767 -2.141 0.012) 6.151 9.911 ( -4.133 6.660 2.628) 8.267 10.214 ( -4.628 10.883 -9.550) 15.200 11.164 ( 1.802 -3.091 -0.067) 3.579 11.492 ( 4.607 -8.560 1.320) 9.810 ======================= Grid point 213 (64/102) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 -0.000 -5.518) 5.518 1.321 ( -0.000 -0.000 -1.798) 1.798 1.504 ( -1.569 -3.138 6.627) 7.499 1.504 ( 1.569 3.138 6.627) 7.499 2.231 ( -2.896 -5.791 4.956) 8.154 2.231 ( 2.896 5.791 4.956) 8.154 2.609 ( -3.898 -7.795 0.598) 8.736 2.609 ( 3.898 7.795 0.598) 8.736 2.713 ( 0.000 0.000 8.549) 8.549 2.824 ( 0.000 -0.000 -1.594) 1.594 3.212 ( -2.481 -4.962 -6.319) 8.409 3.212 ( 2.481 4.962 -6.319) 8.409 3.428 ( -0.000 0.000 -1.734) 1.734 3.909 ( -1.569 -3.139 -0.638) 3.567 3.909 ( 1.569 3.139 -0.638) 3.567 4.352 ( 0.000 -0.000 -0.630) 0.630 4.421 ( -1.748 -3.495 3.557) 5.284 4.421 ( 1.747 3.495 3.557) 5.284 4.497 ( -1.414 -2.828 -3.194) 4.494 4.497 ( 1.414 2.828 -3.194) 4.494 4.690 ( 0.000 0.000 1.583) 1.583 7.393 ( -4.352 -8.703 0.309) 9.735 7.393 ( 4.352 8.703 0.309) 9.735 8.137 ( -0.000 -0.000 0.421) 0.421 8.285 ( -0.000 -0.000 0.030) 0.030 8.857 ( -2.775 -5.551 0.139) 6.208 8.857 ( 2.775 5.551 0.139) 6.208 9.766 ( -1.144 -2.287 -1.060) 2.768 9.766 ( 1.144 2.287 -1.060) 2.768 10.196 ( -0.000 -0.000 2.113) 2.113 10.575 ( -0.000 -0.000 -2.851) 2.851 11.011 ( -0.158 -0.316 0.063) 0.359 11.011 ( 0.158 0.316 0.063) 0.359 ======================= Grid point 219 (65/102) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 10.019 2.238 2.214) 10.502 1.145 ( -0.058 4.143 8.507) 9.462 1.441 ( -1.269 18.422 6.094) 19.445 1.928 ( -8.247 -3.213 1.325) 8.950 1.954 ( -7.286 2.724 4.331) 8.903 2.274 ( -1.309 -0.167 -3.918) 4.135 2.410 ( -3.028 6.013 -2.344) 7.129 2.464 ( 5.266 2.964 -1.982) 6.360 2.636 ( -2.345 -0.292 4.556) 5.132 2.932 ( 2.119 -0.538 4.423) 4.934 3.041 ( -1.252 -2.604 -5.837) 6.513 3.325 ( -0.226 -5.956 2.085) 6.315 3.503 ( 1.038 -5.384 -1.543) 5.696 3.541 ( -3.049 -1.494 -0.475) 3.428 4.005 ( -5.661 3.454 4.161) 7.829 4.177 ( -1.152 1.893 0.614) 2.299 4.318 ( 2.645 1.604 -0.657) 3.162 4.411 ( 4.127 -3.450 1.621) 5.619 4.583 ( 0.646 0.400 0.505) 0.913 4.637 ( 1.151 6.004 -4.080) 7.350 5.044 ( -0.155 -2.291 -4.236) 4.818 7.101 ( -0.809 1.683 0.015) 1.867 7.551 ( -9.918 11.243 1.067) 15.030 7.875 ( -0.649 -0.385 -0.178) 0.776 8.293 ( 0.688 0.303 -1.634) 1.799 8.922 ( -2.292 0.948 -3.477) 4.271 9.106 ( 9.718 -9.415 3.230) 13.911 9.614 ( 2.178 0.954 0.268) 2.393 9.817 ( -2.481 -1.126 -0.151) 2.729 10.039 ( -4.145 5.598 2.885) 7.539 10.375 ( -5.059 5.328 -7.026) 10.166 11.098 ( 2.304 -2.868 -0.099) 3.680 11.323 ( 5.923 -7.521 0.766) 9.604 ======================= Grid point 220 (66/102) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -11.273 -1.496 1.362) 11.453 1.255 ( 0.861 11.124 9.469) 14.634 1.573 ( 0.597 0.318 5.977) 6.015 1.858 ( 2.059 1.180 0.991) 2.572 2.033 ( 10.084 11.545 1.578) 15.410 2.137 ( -12.252 4.273 -1.093) 13.021 2.413 ( -2.833 5.125 -3.777) 6.968 2.581 ( -4.673 1.981 5.206) 7.271 2.654 ( 9.158 2.293 -3.804) 10.179 2.930 ( -5.539 -1.572 3.311) 6.642 2.961 ( 0.065 -4.569 -4.195) 6.203 3.295 ( 3.246 -6.243 2.701) 7.537 3.425 ( -2.438 -3.312 1.715) 4.456 3.527 ( 3.192 -2.649 -2.314) 4.749 3.995 ( -0.844 4.745 4.699) 6.731 4.164 ( -1.034 0.406 0.163) 1.123 4.323 ( -1.893 -1.489 0.672) 2.500 4.440 ( 1.514 -1.456 -2.172) 3.021 4.594 ( -0.109 1.026 0.257) 1.064 4.718 ( 0.638 6.098 -2.841) 6.757 5.013 ( 0.030 -3.536 -3.825) 5.209 7.108 ( -1.254 2.496 0.077) 2.795 7.542 ( -3.786 12.029 0.943) 12.646 7.876 ( 0.723 0.719 -0.302) 1.064 8.285 ( -2.292 0.320 -1.385) 2.697 8.879 ( -2.118 -2.266 -1.430) 3.415 9.160 ( 7.240 -8.644 1.053) 11.325 9.683 ( 1.833 0.324 0.528) 1.935 9.731 ( -2.941 -0.170 -0.246) 2.956 10.044 ( -2.930 6.845 2.714) 7.925 10.385 ( -0.996 6.887 -7.019) 9.883 11.098 ( 1.338 -3.512 -0.069) 3.759 11.319 ( 3.115 -8.974 0.841) 9.536 ======================= Grid point 229 (67/102) ======================= q-point: (-0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 6.751 9.210 1.180) 11.480 1.245 ( 4.184 10.523 -3.876) 11.969 1.636 ( -1.685 14.287 8.599) 16.760 1.914 ( 2.321 -4.765 3.027) 6.103 2.049 ( -8.254 -6.028 0.576) 10.237 2.304 ( -0.723 5.802 2.851) 6.505 2.476 ( -4.023 -1.130 -2.439) 4.839 2.550 ( -5.423 -0.091 -1.708) 5.686 2.687 ( 0.222 3.994 4.094) 5.724 2.893 ( 0.003 -0.244 -0.124) 0.273 2.984 ( 3.969 -1.592 2.200) 4.809 3.345 ( -4.855 -0.919 -0.828) 5.010 3.433 ( 2.668 -4.397 -3.936) 6.476 3.538 ( 1.052 -3.371 -0.687) 3.597 4.076 ( -4.605 -8.407 5.085) 10.851 4.230 ( -0.465 3.119 -0.368) 3.175 4.303 ( 3.813 0.454 0.771) 3.916 4.338 ( -0.064 7.553 1.479) 7.697 4.563 ( 1.424 0.929 0.293) 1.725 4.640 ( 3.653 2.923 -3.758) 6.001 5.030 ( -1.708 -3.725 -3.880) 5.643 7.135 ( -0.328 3.278 0.044) 3.295 7.787 ( -8.320 -1.598 0.625) 8.495 7.917 ( -3.734 7.165 0.199) 8.082 8.247 ( 4.238 0.094 -0.569) 4.277 8.826 ( 10.521 -5.016 0.932) 11.692 9.011 ( -4.014 -1.433 -1.168) 4.420 9.603 ( 0.618 1.547 0.160) 1.674 9.826 ( -0.064 -1.052 -0.293) 1.094 10.150 ( -3.395 3.588 2.428) 5.504 10.481 ( -3.200 2.193 -4.603) 6.020 11.047 ( 0.788 -1.608 -0.142) 1.796 11.164 ( 4.935 -5.896 0.402) 7.699 ======================= Grid point 230 (68/102) ======================= q-point: (-0.22 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.857 6.865 0.454) 7.126 1.332 ( 0.109 10.227 1.146) 10.292 1.695 ( -14.413 -1.985 -2.461) 14.756 1.894 ( 1.450 5.087 9.321) 10.717 1.946 ( 6.629 2.647 5.726) 9.151 2.277 ( -2.192 -1.065 -2.681) 3.623 2.425 ( -0.197 -0.145 -0.902) 0.934 2.578 ( 1.630 3.862 -0.567) 4.230 2.733 ( -0.435 7.412 0.933) 7.483 2.879 ( 0.074 -1.561 1.354) 2.068 3.035 ( -0.801 1.118 0.400) 1.432 3.233 ( -4.537 -3.299 0.135) 5.611 3.416 ( -0.162 -3.861 -1.605) 4.185 3.493 ( -2.059 -3.176 -0.852) 3.880 3.978 ( 3.720 -6.307 5.639) 9.242 4.220 ( -3.811 2.765 0.330) 4.720 4.343 ( -0.398 2.345 -1.767) 2.963 4.414 ( 1.106 3.061 0.254) 3.265 4.589 ( 0.894 -0.144 0.357) 0.973 4.751 ( 2.897 4.972 -3.328) 6.647 4.952 ( 0.278 -6.639 -3.034) 7.305 7.166 ( -1.495 4.949 0.045) 5.170 7.671 ( -2.786 -0.870 0.664) 2.993 7.923 ( -3.335 6.945 0.061) 7.704 8.298 ( 0.861 0.475 -0.698) 1.206 8.900 ( -3.397 -7.233 1.436) 8.119 8.960 ( 8.279 -1.438 -1.343) 8.510 9.654 ( 2.351 2.654 -0.102) 3.547 9.782 ( -3.146 -2.037 -0.285) 3.758 10.142 ( -2.263 4.806 2.546) 5.891 10.464 ( -2.018 3.746 -4.812) 6.424 11.044 ( 1.291 -2.493 -0.070) 2.809 11.177 ( 4.132 -7.243 0.422) 8.349 ======================= Grid point 231 (69/102) ======================= q-point: (-0.11 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -15.082 -0.866 -4.076) 15.648 1.410 ( -9.047 -8.331 3.828) 12.881 1.556 ( 4.204 11.007 0.591) 11.797 1.879 ( 0.349 0.236 3.507) 3.532 2.142 ( 0.739 7.064 5.683) 9.096 2.228 ( 0.273 -1.840 3.419) 3.892 2.525 ( 5.939 2.861 -9.415) 11.493 2.599 ( 1.080 0.496 6.829) 6.932 2.819 ( 1.090 4.678 -2.993) 5.659 2.879 ( -0.046 1.618 2.811) 3.243 2.924 ( -8.880 4.554 -2.181) 10.216 3.163 ( -0.247 -7.047 1.090) 7.135 3.382 ( 1.333 -0.442 2.752) 3.089 3.493 ( 3.496 -0.930 -3.045) 4.729 4.045 ( 5.194 0.696 6.401) 8.273 4.173 ( -2.715 0.561 -0.099) 2.774 4.316 ( -4.578 0.690 -0.715) 4.684 4.433 ( -0.837 0.399 -1.152) 1.478 4.591 ( 0.376 -0.821 -0.734) 1.164 4.745 ( -2.232 -4.754 -1.811) 5.555 4.978 ( 3.608 1.291 -3.752) 5.363 7.156 ( -3.443 1.902 0.072) 3.934 7.720 ( 5.730 5.811 0.582) 8.182 7.940 ( -2.589 6.383 -0.101) 6.889 8.269 ( -3.758 -1.901 -0.293) 4.222 8.765 ( -2.833 -8.362 1.738) 8.998 9.071 ( 5.846 -1.274 -1.875) 6.270 9.657 ( -3.149 -2.023 0.276) 3.753 9.762 ( 1.953 2.321 -0.310) 3.049 10.159 ( -1.444 4.605 2.298) 5.345 10.485 ( -0.009 3.550 -4.671) 5.867 11.043 ( 1.017 -1.734 0.031) 2.010 11.162 ( 2.357 -6.856 0.349) 7.258 ======================= Grid point 237 (70/102) ======================= q-point: (-0.44 0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 5.112 14.282 -1.271) 15.223 1.242 ( 3.437 12.643 -4.601) 13.886 1.733 ( 1.776 -2.697 1.403) 3.521 1.850 ( -1.177 0.316 5.418) 5.554 2.148 ( -4.519 2.782 3.333) 6.267 2.288 ( 7.158 -0.480 5.290) 8.914 2.517 ( -6.560 -7.260 -3.858) 10.518 2.633 ( 3.220 0.144 3.841) 5.014 2.693 ( -9.841 0.156 3.458) 10.432 2.912 ( 3.114 1.430 2.669) 4.343 2.989 ( -3.514 6.315 -3.493) 8.027 3.254 ( 13.272 -5.359 -5.748) 15.424 3.398 ( -0.403 -1.557 0.352) 1.646 3.484 ( -1.922 -4.886 -0.830) 5.315 4.049 ( -5.820 -11.581 4.013) 13.568 4.201 ( 4.841 3.760 1.678) 6.355 4.318 ( 1.919 5.781 -0.869) 6.153 4.426 ( 0.132 5.091 1.887) 5.431 4.586 ( 0.275 1.757 -0.089) 1.781 4.618 ( -2.883 3.062 -3.109) 5.230 5.016 ( -0.928 -4.647 -3.871) 6.119 7.166 ( 1.413 4.174 0.042) 4.407 7.795 ( -3.012 -10.286 -0.084) 10.718 8.048 ( 1.287 1.024 0.302) 1.672 8.208 ( 1.446 7.601 0.269) 7.742 8.678 ( 2.808 1.306 1.545) 3.461 9.053 ( -3.301 -3.049 -1.724) 4.813 9.621 ( -0.107 2.918 0.157) 2.925 9.803 ( 0.921 -2.004 -0.351) 2.233 10.203 ( 0.117 0.904 2.078) 2.269 10.520 ( -0.143 -0.122 -3.747) 3.751 11.042 ( 0.197 -0.832 0.097) 0.861 11.078 ( -1.577 -1.952 0.122) 2.512 ======================= Grid point 239 (71/102) ======================= q-point: (-0.33 0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 2.460 20.762 0.204) 20.909 1.382 ( 1.601 2.974 -4.684) 5.775 1.768 ( 11.008 -5.458 -2.041) 12.455 1.864 ( -7.912 -6.555 5.514) 11.661 2.000 ( -6.555 10.918 6.412) 14.257 2.314 ( -4.066 -2.778 3.572) 6.083 2.459 ( 4.073 -8.386 3.666) 10.018 2.569 ( -3.728 7.158 -1.833) 8.276 2.679 ( 2.785 -1.614 3.979) 5.118 2.971 ( -1.137 7.927 -3.536) 8.754 3.041 ( 1.309 5.676 2.655) 6.402 3.326 ( -3.980 -4.613 -5.854) 8.449 3.358 ( 0.911 -0.556 -1.234) 1.632 3.477 ( 3.620 -2.021 -0.416) 4.167 3.816 ( -2.071 -15.372 4.194) 16.068 4.278 ( 0.569 1.796 0.191) 1.894 4.397 ( -0.234 6.299 -1.091) 6.397 4.471 ( -1.099 4.980 2.589) 5.719 4.594 ( -2.149 3.078 -0.815) 3.841 4.689 ( 8.085 2.160 -2.074) 8.622 4.908 ( -3.553 -8.610 -2.914) 9.759 7.245 ( 0.295 7.982 -0.010) 7.987 7.637 ( -2.109 -10.828 0.063) 11.032 8.060 ( -2.787 4.948 0.578) 5.708 8.290 ( 1.399 3.427 -0.362) 3.719 8.777 ( 6.671 0.425 1.200) 6.792 8.948 ( -3.949 -4.850 -0.795) 6.305 9.661 ( 0.767 3.937 -0.403) 4.031 9.788 ( -0.441 -2.689 -0.563) 2.782 10.208 ( -1.113 2.262 2.361) 3.454 10.515 ( -0.945 1.216 -3.449) 3.778 11.020 ( -0.899 -1.074 -0.100) 1.404 11.059 ( 2.636 -4.410 0.258) 5.144 ======================= Grid point 240 (72/102) ======================= q-point: (-0.22 0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -13.973 5.262 -3.312) 15.294 1.495 ( -11.182 -9.712 1.880) 14.929 1.533 ( 5.921 8.645 -4.812) 11.530 1.924 ( 3.772 -1.908 7.612) 8.707 2.153 ( 2.477 12.429 7.567) 14.760 2.196 ( 0.502 -5.677 0.959) 5.779 2.415 ( 1.503 -2.017 1.654) 3.010 2.632 ( 0.142 2.390 -1.200) 2.678 2.711 ( 4.824 -5.466 5.193) 8.951 3.027 ( -8.046 3.297 -4.245) 9.676 3.043 ( -1.844 3.330 -0.955) 3.925 3.202 ( -4.228 2.646 -3.128) 5.887 3.381 ( -0.268 1.945 1.997) 2.800 3.432 ( 0.136 -3.459 -1.915) 3.956 3.838 ( 14.013 -6.198 3.404) 15.696 4.265 ( -3.642 1.498 0.520) 3.972 4.406 ( -4.265 2.677 -1.173) 5.171 4.480 ( -2.383 2.487 1.677) 3.831 4.592 ( -1.054 2.010 -1.318) 2.625 4.735 ( -4.042 -8.016 -1.313) 9.073 4.882 ( 8.970 1.202 -2.923) 9.511 7.259 ( -6.245 3.127 -0.012) 6.985 7.611 ( 8.297 -2.210 0.098) 8.587 8.056 ( -3.103 4.704 0.449) 5.654 8.307 ( -1.918 -0.093 -0.331) 1.948 8.763 ( -4.884 -4.377 1.601) 6.751 8.959 ( 6.949 -0.071 -1.098) 7.035 9.686 ( -2.175 -0.283 -0.396) 2.229 9.762 ( 0.766 0.735 -0.551) 1.196 10.210 ( -1.099 1.907 2.302) 3.185 10.515 ( -0.544 1.404 -3.453) 3.767 11.016 ( 1.086 0.034 0.103) 1.092 11.063 ( 2.667 -4.213 0.089) 4.986 ======================= Grid point 249 (73/102) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -0.000 0.000 -3.966) 3.966 1.633 ( -5.475 -10.949 5.212) 13.304 1.633 ( 5.474 10.948 5.212) 13.304 1.643 ( 0.000 0.000 -11.147) 11.147 2.239 ( -2.232 -4.464 4.981) 7.051 2.239 ( 2.232 4.464 4.981) 7.051 2.318 ( -0.000 -0.000 10.834) 10.834 2.647 ( -0.723 -1.447 0.227) 1.633 2.647 ( 0.723 1.447 0.227) 1.633 3.083 ( 0.000 0.000 3.818) 3.818 3.189 ( -3.667 -7.334 -7.491) 11.106 3.189 ( 3.667 7.334 -7.491) 11.106 3.362 ( 0.000 -0.000 -3.343) 3.343 3.549 ( -5.124 -10.248 3.939) 12.116 3.549 ( 5.124 10.248 3.939) 12.116 4.296 ( -0.000 0.000 0.095) 0.095 4.487 ( -1.162 -2.323 0.138) 2.601 4.487 ( 1.162 2.323 0.138) 2.601 4.720 ( -2.877 -5.755 -2.572) 6.929 4.720 ( 2.876 5.755 -2.572) 6.928 4.722 ( 0.001 -0.000 1.061) 1.061 7.426 ( -4.580 -9.160 -0.028) 10.241 7.426 ( 4.580 9.160 -0.028) 10.241 8.105 ( 0.000 0.000 0.618) 0.618 8.327 ( 0.000 0.000 -0.274) 0.274 8.842 ( -2.487 -4.973 0.314) 5.569 8.842 ( 2.487 4.973 0.314) 5.569 9.732 ( -1.299 -2.597 -0.722) 2.992 9.732 ( 1.299 2.597 -0.722) 2.992 10.230 ( 0.000 0.000 2.414) 2.414 10.527 ( 0.000 -0.000 -3.006) 3.006 11.012 ( -0.296 -0.592 0.054) 0.665 11.012 ( 0.296 0.592 0.054) 0.665 ======================= Grid point 273 (74/102) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 0.000 4.829) 4.829 0.841 ( 0.000 0.000 4.829) 4.829 1.652 ( 0.000 -0.000 10.295) 10.295 1.953 ( 0.000 -0.000 0.041) 0.041 1.953 ( 0.000 -0.000 0.041) 0.041 2.203 ( -0.000 0.000 12.067) 12.067 2.475 ( -0.000 -0.000 0.004) 0.004 2.475 ( 0.000 -0.000 0.004) 0.004 2.864 ( 0.000 -0.000 -10.620) 10.620 2.898 ( 0.000 -0.000 -2.399) 2.399 2.898 ( 0.000 0.000 -2.399) 2.399 3.391 ( 0.000 -0.000 0.070) 0.070 3.494 ( 0.000 0.000 -2.232) 2.232 3.611 ( 0.000 0.000 -0.450) 0.450 3.611 ( 0.000 0.000 -0.450) 0.450 4.406 ( 0.000 -0.000 5.660) 5.660 4.454 ( 0.000 -0.000 0.593) 0.593 4.454 ( 0.000 0.000 0.593) 0.593 4.536 ( 0.000 -0.000 0.616) 0.616 4.536 ( 0.000 0.000 0.616) 0.616 4.623 ( -0.000 0.000 -6.747) 6.747 7.055 ( 0.000 -0.000 -0.191) 0.191 7.055 ( 0.000 0.000 -0.191) 0.191 7.884 ( 0.000 -0.000 0.050) 0.050 7.884 ( 0.000 0.000 0.050) 0.050 9.080 ( -0.000 0.000 0.298) 0.298 9.685 ( 0.000 -0.000 -0.065) 0.065 9.694 ( -0.000 -0.000 0.019) 0.019 9.694 ( 0.000 0.000 0.019) 0.019 9.734 ( 0.000 -0.000 0.045) 0.045 9.734 ( 0.000 0.000 0.045) 0.045 11.232 ( 0.000 -0.000 -0.008) 0.008 11.710 ( 0.000 -0.000 -0.059) 0.059 ======================= Grid point 274 (75/102) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 10.559 -0.389 5.862) 12.084 1.159 ( 19.123 17.242 4.335) 26.110 1.462 ( -8.498 -7.559 3.199) 11.815 1.871 ( -12.571 1.145 4.217) 13.309 2.056 ( -1.114 -7.774 5.406) 9.534 2.135 ( 3.683 6.776 5.013) 9.198 2.363 ( -3.926 -8.798 -6.919) 11.861 2.433 ( -2.003 -3.233 0.839) 3.895 2.829 ( -0.872 2.595 5.503) 6.146 2.924 ( -1.052 2.240 -9.632) 9.945 2.945 ( 1.537 -0.311 -2.987) 3.373 3.461 ( 3.079 1.939 2.039) 4.171 3.501 ( 0.357 0.096 -0.847) 0.924 3.609 ( -0.764 2.100 -2.872) 3.639 3.691 ( 7.680 3.328 -0.861) 8.414 4.254 ( -6.234 -3.533 1.410) 7.303 4.386 ( -3.508 -3.347 0.774) 4.910 4.494 ( -0.864 1.298 1.275) 2.014 4.522 ( 2.933 -2.039 -0.173) 3.576 4.605 ( 1.809 4.227 4.695) 6.572 4.793 ( 8.953 3.424 -7.319) 12.060 7.064 ( 0.695 0.319 -0.414) 0.870 7.142 ( 7.599 4.370 0.296) 8.771 7.880 ( -0.229 -0.050 0.219) 0.321 8.020 ( 9.990 5.663 -1.707) 11.610 8.976 ( -6.621 -3.814 0.211) 7.644 9.536 ( -8.357 -4.817 1.368) 9.743 9.666 ( -2.328 1.134 0.659) 2.672 9.763 ( 3.438 -2.420 -0.776) 4.275 9.849 ( 8.291 2.951 2.872) 9.257 9.880 ( 9.248 9.290 -4.919) 14.001 11.207 ( -2.160 -1.244 -0.013) 2.492 11.633 ( -6.367 -3.654 0.199) 7.344 ======================= Grid point 275 (76/102) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -2.595 -8.491 3.113) 9.409 1.320 ( 6.001 2.136 6.024) 8.767 1.564 ( -15.865 4.365 9.275) 18.889 1.757 ( 18.588 15.235 -2.270) 24.141 1.991 ( 3.669 -12.103 -0.529) 12.658 2.185 ( 0.840 -2.910 0.532) 3.075 2.345 ( 3.133 5.004 -3.327) 6.777 2.385 ( -0.804 -0.983 3.124) 3.372 2.809 ( -4.175 0.009 3.389) 5.378 2.910 ( 0.978 -1.710 -2.738) 3.374 2.972 ( 0.123 2.495 -4.485) 5.133 3.421 ( -3.643 -0.899 -0.051) 3.753 3.544 ( 1.253 -0.260 1.146) 1.718 3.617 ( -3.353 3.480 -3.324) 5.865 3.890 ( 10.336 4.902 -0.335) 11.444 4.178 ( -0.783 -1.625 0.909) 2.020 4.310 ( -2.153 -2.222 0.667) 3.165 4.447 ( -1.158 -2.913 -0.632) 3.198 4.569 ( 1.612 -0.489 0.951) 1.935 4.652 ( -1.473 3.774 5.248) 6.630 4.906 ( 3.660 -0.457 -6.186) 7.202 7.084 ( 0.907 0.989 -0.360) 1.390 7.369 ( 12.697 6.441 0.958) 14.270 7.878 ( 0.211 -0.291 0.207) 0.415 8.212 ( 5.388 3.486 -2.250) 6.801 8.876 ( -1.601 -0.826 -0.802) 1.972 9.319 ( -11.008 -6.559 1.900) 12.954 9.641 ( -2.485 2.032 0.554) 3.257 9.792 ( 2.818 -2.525 -0.753) 3.858 9.998 ( 6.392 3.536 2.032) 7.582 10.140 ( 10.219 7.378 -4.227) 13.294 11.144 ( -3.238 -1.855 -0.023) 3.732 11.460 ( -8.600 -4.912 0.222) 9.907 ======================= Grid point 276 (77/102) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -4.538 -10.907 1.073) 11.862 1.311 ( -16.488 3.661 6.553) 18.116 1.544 ( 10.739 3.775 3.007) 11.774 1.925 ( 4.289 -10.218 -0.081) 11.082 2.137 ( 3.289 9.819 -0.762) 10.383 2.250 ( 9.687 -2.734 4.602) 11.067 2.421 ( 3.224 6.189 -1.440) 7.126 2.461 ( 7.378 5.387 0.311) 9.140 2.731 ( -4.347 1.134 1.282) 4.672 2.905 ( 1.334 -5.310 0.908) 5.550 2.990 ( -1.189 2.478 -4.341) 5.138 3.371 ( -1.506 -0.826 -0.905) 1.941 3.503 ( -7.517 -1.517 -2.047) 7.937 3.569 ( -2.260 2.622 -2.417) 4.222 4.107 ( 9.944 3.350 0.284) 10.498 4.164 ( 0.690 -2.084 1.130) 2.469 4.271 ( 0.009 -1.779 1.422) 2.278 4.418 ( -1.308 0.372 -2.149) 2.543 4.560 ( -0.908 -2.126 2.771) 3.608 4.617 ( -4.780 1.055 4.178) 6.436 4.943 ( 2.210 -0.824 -5.043) 5.567 7.110 ( 0.609 1.388 -0.157) 1.524 7.662 ( 14.838 5.472 1.151) 15.857 7.885 ( 0.704 0.313 0.043) 0.772 8.251 ( -1.892 0.355 -1.324) 2.337 8.875 ( -2.199 0.139 -2.781) 3.548 9.079 ( -7.383 -5.734 3.086) 9.844 9.623 ( -2.145 2.110 0.286) 3.022 9.809 ( 1.885 -2.054 -0.525) 2.837 10.127 ( 5.231 2.732 1.833) 6.180 10.340 ( 6.650 4.756 -3.116) 8.749 11.076 ( -2.587 -1.445 -0.060) 2.964 11.274 ( -7.841 -4.465 0.063) 9.023 ======================= Grid point 277 (78/102) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 10.726 -1.570 -1.010) 10.887 1.039 ( -15.199 -2.366 1.119) 15.423 1.716 ( 5.372 1.147 1.077) 5.598 1.925 ( 2.087 -1.524 1.478) 2.978 2.198 ( 1.848 0.933 4.744) 5.176 2.310 ( 1.077 -4.405 3.825) 5.932 2.508 ( 1.492 5.334 -5.593) 7.872 2.698 ( -1.436 4.257 2.028) 4.930 2.762 ( 13.943 6.120 3.264) 15.573 2.853 ( -1.156 -3.081 -0.320) 3.306 2.969 ( -2.698 0.502 -0.910) 2.892 3.242 ( -10.685 -6.935 -6.013) 14.086 3.423 ( -1.074 2.618 -0.422) 2.861 3.567 ( -1.197 1.439 -0.851) 2.056 4.144 ( 0.759 -2.133 0.306) 2.285 4.230 ( 1.111 -0.428 0.297) 1.227 4.322 ( 8.204 -2.439 1.177) 8.640 4.379 ( -7.059 4.995 2.757) 9.076 4.520 ( 0.105 -1.042 0.450) 1.140 4.568 ( -0.706 -0.429 0.399) 0.917 4.963 ( 0.828 -0.996 -3.502) 3.734 7.126 ( 0.159 0.596 -0.007) 0.617 7.887 ( 3.924 -2.720 0.163) 4.777 7.959 ( 9.200 6.628 0.602) 11.355 8.181 ( -6.098 -0.960 -0.472) 6.191 8.729 ( -7.237 -3.490 -0.329) 8.041 9.044 ( 1.754 0.312 0.166) 1.789 9.612 ( -0.976 1.054 0.140) 1.443 9.815 ( 0.520 -0.725 -0.225) 0.920 10.213 ( 2.487 0.993 1.490) 3.065 10.447 ( 2.204 1.907 -2.333) 3.733 11.046 ( -0.070 -0.021 -0.069) 0.100 11.131 ( -4.415 -2.486 0.077) 5.067 ======================= Grid point 278 (79/102) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -7.581 2.080 -1.678) 8.038 1.083 ( 18.967 0.533 -2.872) 19.190 1.706 ( -4.908 -3.589 1.221) 6.201 1.954 ( -0.959 4.680 -0.579) 4.812 2.231 ( -2.445 -9.031 4.335) 10.312 2.254 ( 4.316 -0.028 4.526) 6.254 2.510 ( -4.953 0.850 -3.837) 6.323 2.687 ( 0.552 -3.510 1.779) 3.973 2.860 ( -5.843 -2.718 -4.897) 8.094 2.875 ( -5.037 2.331 -2.035) 5.911 2.941 ( -1.769 0.454 1.592) 2.423 3.131 ( 8.938 5.940 4.333) 11.574 3.425 ( -0.351 -0.287 -0.404) 0.608 3.550 ( -2.174 1.341 0.474) 2.598 4.148 ( 0.736 -0.086 0.577) 0.940 4.238 ( 0.590 -1.739 -0.319) 1.864 4.277 ( -7.020 2.179 4.859) 8.811 4.381 ( 2.732 -3.899 0.529) 4.790 4.571 ( 0.511 2.357 -2.013) 3.141 4.600 ( 6.445 1.637 -3.007) 7.298 4.944 ( -1.196 -2.148 -1.906) 3.111 7.125 ( -0.104 -0.912 0.079) 0.921 7.892 ( -2.425 1.910 -0.348) 3.106 7.967 ( -10.098 -6.068 -0.072) 11.782 8.168 ( 5.870 0.408 0.719) 5.928 8.706 ( 5.170 2.334 1.733) 5.931 9.069 ( 0.376 1.367 -2.091) 2.526 9.612 ( 0.730 -0.535 0.131) 0.915 9.812 ( -1.047 0.948 0.085) 1.415 10.214 ( -1.955 -1.854 1.373) 3.023 10.448 ( -2.618 -0.874 -2.437) 3.682 11.044 ( 0.066 -0.051 0.086) 0.120 11.131 ( 4.215 2.519 0.134) 4.912 ======================= Grid point 279 (80/102) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 4.925 8.334 -1.973) 9.879 1.408 ( 19.407 -1.187 -2.243) 19.572 1.525 ( -9.803 -5.547 3.375) 11.759 1.966 ( -8.044 10.551 -3.353) 13.684 2.069 ( -1.333 -14.836 6.188) 16.130 2.313 ( 0.481 -0.433 0.115) 0.658 2.370 ( -14.055 -0.040 -2.695) 14.312 2.553 ( -7.157 -9.209 -3.761) 12.254 2.684 ( 3.824 -5.254 3.744) 7.499 2.919 ( -1.802 2.268 3.278) 4.374 2.956 ( 0.144 6.337 -3.269) 7.132 3.334 ( 4.284 5.139 3.217) 7.424 3.450 ( 5.245 0.098 2.684) 5.893 3.538 ( -1.056 2.976 -0.103) 3.159 4.105 ( -7.790 -5.294 1.404) 9.523 4.166 ( 0.228 1.639 0.662) 1.782 4.284 ( 1.667 -0.077 0.292) 1.694 4.393 ( 1.474 0.198 -0.500) 1.569 4.592 ( -0.220 1.152 -0.949) 1.509 4.710 ( 3.477 0.150 -2.950) 4.562 4.900 ( -0.609 -2.003 -1.751) 2.729 7.106 ( -0.695 -1.599 0.198) 1.755 7.676 ( -14.553 -5.888 -0.102) 15.699 7.889 ( -0.579 -0.174 -0.337) 0.692 8.231 ( 1.960 -1.117 0.572) 2.328 8.831 ( 3.863 1.107 1.665) 4.349 9.135 ( 5.905 5.303 -2.472) 8.313 9.626 ( 2.172 -1.592 0.001) 2.693 9.798 ( -2.474 2.301 0.451) 3.409 10.121 ( -4.976 -4.745 2.225) 7.227 10.349 ( -6.977 -2.873 -3.788) 8.443 11.076 ( 2.639 1.503 -0.010) 3.037 11.270 ( 7.740 4.486 0.407) 8.955 ======================= Grid point 280 (81/102) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 3.564 4.188 3.619) 6.583 1.321 ( -6.087 -3.090 5.704) 8.895 1.695 ( 4.332 -8.363 -1.672) 9.565 1.751 ( -3.377 -11.212 -2.477) 11.969 1.974 ( -9.712 16.814 0.460) 19.422 2.165 ( -3.101 2.832 3.464) 5.444 2.291 ( -0.831 -7.406 -0.336) 7.460 2.457 ( 1.873 -6.799 -1.952) 7.318 2.733 ( 4.106 0.550 4.764) 6.313 2.913 ( -0.383 0.159 1.640) 1.691 2.995 ( -1.837 4.786 -6.346) 8.158 3.417 ( 3.052 3.188 0.409) 4.432 3.511 ( 0.904 -0.697 6.607) 6.705 3.581 ( 0.095 3.683 -2.559) 4.486 3.906 ( -9.099 -6.007 -1.444) 10.999 4.193 ( 1.416 1.134 0.025) 1.814 4.308 ( 2.822 -0.587 0.383) 2.908 4.442 ( 3.032 1.569 0.027) 3.414 4.574 ( -2.199 -1.099 0.221) 2.469 4.694 ( -3.888 -0.344 1.815) 4.304 4.890 ( 0.270 -2.803 -5.261) 5.967 7.077 ( -0.944 -1.070 0.261) 1.450 7.383 ( -12.588 -6.860 -0.322) 14.339 7.884 ( -0.281 0.446 -0.344) 0.629 8.192 ( -4.693 -3.787 -0.358) 6.041 8.871 ( 2.402 1.314 -0.214) 2.746 9.342 ( 9.830 6.523 -0.372) 11.803 9.651 ( 2.773 -1.793 -0.363) 3.322 9.774 ( -3.512 3.107 0.890) 4.773 9.972 ( -5.757 -7.051 3.409) 9.720 10.164 ( -10.836 -4.367 -5.504) 12.914 11.145 ( 3.234 1.871 -0.039) 3.736 11.457 ( 8.657 5.028 0.524) 10.024 ======================= Grid point 281 (82/102) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -4.949 -8.790 5.285) 11.388 1.147 ( -23.551 -7.559 5.221) 25.279 1.460 ( 9.738 3.592 3.360) 10.909 1.932 ( 4.329 1.423 -1.896) 4.936 2.047 ( -1.480 9.426 6.073) 11.310 2.126 ( -1.289 -4.106 8.284) 9.335 2.330 ( 11.217 2.884 -5.510) 12.826 2.450 ( 3.333 -4.217 0.077) 5.375 2.804 ( 1.376 3.954 1.258) 4.372 2.901 ( -1.228 -0.215 0.682) 1.422 2.984 ( -2.709 -0.074 -8.832) 9.238 3.461 ( -4.170 -2.555 2.990) 5.732 3.492 ( 1.595 1.163 -0.480) 2.032 3.592 ( -0.344 1.795 -1.921) 2.652 3.707 ( -7.396 -4.990 -2.090) 9.163 4.262 ( 5.612 3.344 0.679) 6.568 4.384 ( 4.823 1.888 1.048) 5.285 4.497 ( -0.646 -2.465 1.144) 2.794 4.511 ( 0.132 0.367 0.979) 1.054 4.613 ( -5.213 -0.108 3.246) 6.142 4.794 ( -7.217 -6.169 -7.179) 11.903 7.059 ( -0.421 -0.419 0.112) 0.604 7.149 ( -8.006 -4.545 -0.450) 9.217 7.885 ( -0.079 0.242 -0.191) 0.319 8.012 ( -9.273 -5.676 -0.958) 10.914 8.977 ( 6.593 3.825 0.182) 7.624 9.547 ( 7.729 5.105 0.313) 9.268 9.681 ( 2.596 -1.477 -0.783) 3.087 9.742 ( -4.403 3.840 1.329) 5.991 9.805 ( -4.608 -8.778 2.722) 10.280 9.921 ( -11.989 -4.658 -4.535) 13.638 11.207 ( 2.150 1.244 -0.019) 2.484 11.632 ( 6.432 3.734 0.273) 7.443 ======================= Grid point 283 (83/102) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 4.143 12.868 8.783) 16.121 1.272 ( -4.717 -7.617 5.556) 10.542 1.549 ( 12.246 17.610 0.346) 21.452 1.777 ( 0.294 -16.617 -6.769) 17.945 2.006 ( -16.017 8.419 7.962) 19.769 2.212 ( -0.852 1.191 1.826) 2.340 2.269 ( 10.094 0.037 -1.910) 10.273 2.350 ( -1.087 -1.949 1.799) 2.867 2.778 ( 0.868 -6.506 4.565) 7.995 2.907 ( -1.484 -0.340 -3.385) 3.711 3.041 ( 0.582 4.364 -6.528) 7.874 3.452 ( -1.816 -3.079 -0.948) 3.699 3.510 ( 1.602 0.146 4.489) 4.769 3.646 ( 3.097 1.252 -6.863) 7.633 3.829 ( 4.168 9.142 -0.271) 10.051 4.185 ( -2.364 -2.244 0.538) 3.304 4.321 ( -1.387 -2.895 2.143) 3.860 4.457 ( -1.675 -2.549 1.745) 3.514 4.553 ( 0.854 2.608 0.887) 2.884 4.679 ( 1.046 3.202 1.566) 3.715 4.857 ( 1.527 1.595 -4.401) 4.924 7.073 ( 1.114 0.759 -0.010) 1.348 7.305 ( 5.786 11.828 0.361) 13.172 7.878 ( -0.761 -0.160 -0.134) 0.790 8.164 ( 5.423 7.024 -1.283) 8.966 8.890 ( -1.942 -3.551 -0.325) 4.061 9.391 ( -6.801 -9.514 0.596) 11.710 9.686 ( 3.668 -2.829 -0.700) 4.685 9.749 ( -4.228 4.088 0.489) 5.902 9.923 ( 6.544 5.015 3.640) 9.013 10.108 ( 5.331 11.962 -5.729) 14.294 11.163 ( -1.798 -3.103 -0.034) 3.586 11.509 ( -4.772 -8.497 0.343) 9.751 ======================= Grid point 284 (84/102) ======================= q-point: ( 0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -16.850 4.635 3.609) 17.845 1.405 ( 12.144 6.440 6.403) 15.164 1.617 ( -5.817 -11.318 -0.608) 12.740 1.744 ( 0.209 1.571 5.476) 5.701 2.003 ( 9.092 7.651 -0.452) 11.891 2.209 ( -1.700 0.448 0.232) 1.773 2.389 ( 6.217 7.215 5.630) 11.063 2.448 ( 4.645 4.840 -4.873) 8.291 2.733 ( 2.597 -8.297 3.526) 9.382 2.865 ( -2.894 0.767 -1.153) 3.208 3.070 ( -2.060 4.251 -5.351) 7.138 3.389 ( -2.299 -2.267 -1.982) 3.789 3.512 ( 0.477 -3.282 0.467) 3.349 3.671 ( -2.210 1.336 -7.687) 8.109 3.992 ( 6.476 4.534 2.225) 8.212 4.155 ( -0.408 0.696 0.859) 1.179 4.273 ( -2.515 -2.092 3.580) 4.850 4.417 ( 0.488 -0.147 -1.034) 1.152 4.570 ( -1.118 1.001 1.894) 2.416 4.703 ( -2.050 1.389 2.690) 3.656 4.870 ( 2.304 -3.695 -3.497) 5.585 7.111 ( 1.762 1.847 -0.055) 2.554 7.535 ( 8.080 9.627 1.218) 12.628 7.870 ( 0.580 0.045 -0.100) 0.590 8.266 ( 1.552 1.398 -0.695) 2.202 8.880 ( 1.801 1.238 -1.301) 2.543 9.156 ( -9.873 -9.616 1.156) 13.830 9.715 ( -4.526 4.254 0.147) 6.213 9.727 ( 4.264 -3.093 -0.862) 5.338 10.066 ( 5.530 3.708 3.003) 7.303 10.299 ( 5.455 8.001 -4.576) 10.710 11.098 ( -2.314 -2.827 -0.053) 3.654 11.335 ( -6.265 -7.656 0.138) 9.894 ======================= Grid point 285 (85/102) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -8.414 11.290 1.846) 14.201 1.349 ( -16.558 -1.534 2.579) 16.828 1.617 ( 7.764 1.561 2.045) 8.180 1.834 ( 6.303 2.884 4.370) 8.194 2.170 ( 1.853 -2.234 5.120) 5.885 2.210 ( 6.057 -0.430 3.142) 6.837 2.500 ( 1.633 -0.923 -2.573) 3.184 2.642 ( 9.025 12.330 0.723) 15.298 2.726 ( 4.825 -4.401 0.378) 6.541 2.834 ( -3.397 2.479 -0.892) 4.299 3.054 ( -3.625 1.842 -3.119) 5.125 3.315 ( -4.556 -3.872 -3.857) 7.115 3.467 ( -1.416 -2.977 -1.288) 3.539 3.626 ( -4.527 3.274 -7.078) 9.017 4.075 ( 3.653 -4.474 1.357) 5.933 4.209 ( 3.761 2.728 2.121) 5.108 4.232 ( -0.264 1.283 2.302) 2.648 4.462 ( 1.846 2.403 -1.741) 3.495 4.540 ( -2.897 0.207 2.496) 3.830 4.624 ( -6.244 -0.194 3.890) 7.359 4.887 ( 4.214 -5.095 -2.786) 7.175 7.154 ( -0.166 3.329 0.151) 3.336 7.705 ( 7.615 -2.638 1.085) 8.132 7.939 ( 4.345 6.416 -0.038) 7.749 8.265 ( -2.328 0.851 -0.129) 2.482 8.856 ( -10.531 -2.694 -1.651) 10.995 8.984 ( 3.383 -3.037 1.300) 4.729 9.675 ( -3.884 2.386 -0.356) 4.572 9.771 ( 3.212 -1.060 -0.635) 3.441 10.175 ( 3.775 2.375 2.245) 4.993 10.431 ( 3.120 4.206 -3.178) 6.126 11.046 ( -0.879 -1.569 -0.072) 1.800 11.171 ( -5.040 -5.924 0.023) 7.778 ======================= Grid point 286 (86/102) ======================= q-point: ( 0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 4.819 13.257 -0.695) 14.123 1.091 ( -15.365 6.601 1.693) 16.808 1.688 ( 2.391 -4.742 1.076) 5.418 1.947 ( 4.035 0.607 6.524) 7.695 2.162 ( 0.439 -2.682 3.188) 4.189 2.254 ( -0.848 1.701 2.485) 3.128 2.495 ( 2.034 -4.355 -0.495) 4.832 2.734 ( -7.439 -2.385 -0.299) 7.818 2.811 ( 6.191 -0.797 -2.793) 6.839 2.920 ( 6.645 7.213 -1.087) 9.867 2.993 ( -2.447 0.051 2.231) 3.311 3.170 ( -7.338 1.878 -4.066) 8.596 3.428 ( -0.652 -2.524 -1.385) 2.952 3.597 ( -2.508 2.585 -5.087) 6.233 4.099 ( 4.501 -3.751 1.183) 5.977 4.248 ( -1.387 2.777 1.913) 3.647 4.281 ( 2.919 -0.322 0.425) 2.968 4.430 ( -7.758 0.256 3.969) 8.718 4.529 ( 3.370 1.469 -1.251) 3.884 4.594 ( 0.568 2.662 -0.344) 2.744 4.890 ( 2.486 -6.320 -0.609) 6.818 7.158 ( -2.735 2.820 0.285) 3.939 7.775 ( 7.697 -8.022 0.666) 11.137 8.060 ( 0.564 3.021 -0.150) 3.077 8.205 ( -6.068 3.035 0.358) 6.794 8.702 ( -2.966 1.201 0.732) 3.282 9.035 ( 3.455 -1.547 -1.114) 3.947 9.637 ( -2.771 1.541 -0.457) 3.203 9.809 ( 1.792 -0.082 -0.486) 1.859 10.222 ( -0.044 0.015 1.826) 1.827 10.478 ( -0.684 1.185 -2.677) 3.007 11.040 ( 0.100 -0.750 0.145) 0.771 11.084 ( 1.325 -2.015 -0.085) 2.413 ======================= Grid point 288 (87/102) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -6.167 15.433 -1.397) 16.678 1.173 ( 10.387 7.884 -1.220) 13.097 1.603 ( -5.636 -7.149 3.856) 9.886 1.941 ( 0.333 -10.883 8.760) 13.974 2.139 ( -1.736 3.413 -3.623) 5.271 2.269 ( -0.801 3.616 2.509) 4.473 2.484 ( -2.633 -3.951 -1.930) 5.125 2.570 ( 0.574 -7.555 2.039) 7.847 2.719 ( -14.561 -4.998 -3.566) 15.802 2.936 ( -0.406 0.730 -1.410) 1.639 3.039 ( 0.167 5.690 0.852) 5.755 3.283 ( 8.562 8.205 3.487) 12.360 3.395 ( 0.256 -2.340 -2.188) 3.214 3.589 ( -1.614 3.361 -4.688) 5.990 4.128 ( 0.816 -3.966 4.037) 5.718 4.198 ( -2.960 -0.125 1.443) 3.295 4.311 ( -4.168 -1.409 0.035) 4.400 4.353 ( 2.391 3.052 0.879) 3.976 4.613 ( 1.385 0.790 -1.361) 2.096 4.641 ( 3.364 3.328 -3.420) 5.839 4.858 ( 1.549 -6.069 1.478) 6.435 7.128 ( -2.836 1.173 0.269) 3.081 7.785 ( 0.222 -8.513 0.680) 8.543 7.935 ( -9.974 -0.097 -0.322) 9.979 8.213 ( 0.680 3.357 0.553) 3.470 8.777 ( 5.139 4.721 1.903) 7.233 9.072 ( 3.959 -1.489 -2.535) 4.931 9.619 ( -1.034 1.721 -0.487) 2.066 9.826 ( 0.299 -0.184 -0.233) 0.421 10.168 ( -4.649 -2.415 2.323) 5.731 10.433 ( -4.846 -0.594 -3.399) 5.949 11.043 ( 1.920 0.018 -0.002) 1.920 11.169 ( 7.435 1.411 0.198) 7.571 ======================= Grid point 289 (88/102) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -0.258 14.859 2.383) 15.051 1.352 ( -5.074 -9.978 6.693) 13.042 1.460 ( 9.534 4.246 -6.893) 12.508 1.793 ( -5.924 -7.364 7.873) 12.300 2.179 ( 0.818 -1.266 -3.106) 3.452 2.220 ( -2.661 -3.742 2.330) 5.148 2.368 ( -10.747 -4.078 0.232) 11.497 2.401 ( -10.026 1.727 -3.575) 10.783 2.641 ( 6.773 1.328 5.507) 8.830 2.915 ( -0.493 -1.422 -0.439) 1.567 3.082 ( -1.686 3.385 -3.296) 5.016 3.394 ( 1.996 0.855 -1.843) 2.848 3.467 ( 4.911 1.998 4.024) 6.656 3.623 ( 0.335 5.372 -5.624) 7.785 4.007 ( -7.941 -4.010 1.517) 9.025 4.179 ( -0.429 -1.062 1.366) 1.783 4.283 ( 0.752 0.694 0.831) 1.318 4.412 ( 2.533 0.472 1.131) 2.814 4.599 ( -1.872 -0.765 0.529) 2.091 4.708 ( 0.806 0.280 -3.091) 3.206 4.851 ( 2.306 -1.808 0.068) 2.931 7.095 ( -1.966 0.439 0.197) 2.024 7.567 ( -14.196 -4.513 0.534) 14.906 7.877 ( 0.313 -1.024 -0.270) 1.104 8.237 ( -1.549 1.601 0.257) 2.242 8.855 ( 0.565 1.393 0.219) 1.519 9.194 ( 11.137 0.381 -1.070) 11.195 9.637 ( 0.371 3.110 -0.617) 3.193 9.811 ( -0.841 -2.298 0.083) 2.448 10.043 ( -7.159 -1.727 3.423) 8.121 10.308 ( -9.061 -1.406 -4.897) 10.395 11.097 ( 3.659 0.622 -0.058) 3.712 11.332 ( 9.735 1.800 0.347) 9.906 ======================= Grid point 294 (89/102) ======================= q-point: ( 0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -9.103 8.143 2.069) 12.388 1.345 ( 6.331 -11.220 -3.428) 13.331 1.522 ( 5.557 4.417 5.408) 8.924 1.815 ( -0.280 1.184 10.443) 10.513 2.149 ( 1.123 2.920 -0.446) 3.160 2.235 ( -4.749 11.527 1.563) 12.564 2.456 ( 4.175 -0.635 -1.894) 4.628 2.560 ( 2.964 -8.285 2.084) 9.043 2.658 ( 4.958 12.677 -2.318) 13.808 2.917 ( -1.228 3.786 0.129) 3.982 3.094 ( -1.030 -2.064 -1.349) 2.672 3.348 ( -3.313 -2.216 -2.871) 4.912 3.413 ( 1.606 -6.237 0.322) 6.448 3.670 ( 3.215 -0.502 -9.169) 9.729 4.038 ( -3.647 -0.093 2.103) 4.211 4.204 ( 1.356 2.611 3.269) 4.398 4.266 ( -1.025 3.256 0.289) 3.425 4.422 ( 3.844 0.393 0.517) 3.899 4.594 ( -2.699 0.267 0.755) 2.816 4.716 ( -0.726 0.285 -0.147) 0.794 4.767 ( -1.211 -6.166 0.973) 6.358 7.160 ( 3.494 3.295 0.255) 4.810 7.658 ( -3.052 1.151 1.126) 3.451 7.932 ( 4.448 7.588 -0.229) 8.799 8.268 ( 1.692 -0.646 0.312) 1.838 8.878 ( 4.164 -3.804 1.127) 5.751 9.000 ( -9.122 -4.159 -1.685) 10.166 9.678 ( 3.709 -1.363 -0.993) 4.074 9.784 ( -3.345 2.161 -0.388) 4.001 10.146 ( 3.082 4.478 2.718) 6.078 10.427 ( 2.828 5.106 -3.649) 6.883 11.045 ( -1.279 -2.400 -0.089) 2.721 11.184 ( -4.295 -7.549 0.143) 8.687 ======================= Grid point 295 (90/102) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -5.813 14.740 1.915) 15.960 1.316 ( -4.468 0.045 1.705) 4.783 1.582 ( 2.739 -2.600 0.502) 3.809 1.824 ( 4.755 -8.204 10.878) 14.430 2.225 ( 0.274 4.510 4.043) 6.063 2.300 ( -2.270 13.132 -1.754) 13.442 2.436 ( -0.659 -3.868 2.010) 4.408 2.655 ( 11.361 -1.876 -3.974) 12.182 2.785 ( -0.279 -0.278 2.405) 2.436 2.932 ( -0.342 5.854 -2.823) 6.508 3.025 ( -3.425 -1.963 0.983) 4.068 3.258 ( -3.029 -4.235 -2.315) 5.698 3.391 ( 0.659 -2.923 -1.965) 3.583 3.701 ( -2.996 4.798 -9.899) 11.401 3.961 ( 2.247 -6.867 -1.939) 7.481 4.272 ( 1.933 4.870 1.640) 5.491 4.318 ( -0.446 5.709 1.664) 5.964 4.497 ( 2.166 1.431 1.718) 3.113 4.530 ( -3.453 -2.048 0.927) 4.121 4.616 ( -3.902 -1.426 3.994) 5.763 4.767 ( 3.806 -5.870 0.059) 6.996 7.246 ( -0.473 6.444 0.472) 6.479 7.588 ( 2.172 -8.503 0.911) 8.823 8.076 ( 2.549 6.076 -0.281) 6.595 8.281 ( -0.560 0.926 0.597) 1.236 8.809 ( -7.248 -0.577 0.193) 7.273 8.938 ( 4.155 -3.001 -0.636) 5.165 9.704 ( -1.660 1.316 -1.040) 2.360 9.769 ( 1.274 -0.118 -0.801) 1.510 10.219 ( 1.421 2.020 2.188) 3.300 10.493 ( 0.798 2.241 -2.850) 3.712 11.021 ( 0.704 -0.983 -0.059) 1.210 11.063 ( -2.498 -4.689 0.080) 5.314 ======================= Grid point 296 (91/102) ======================= q-point: (-0.56 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.235 10.416 0.892) 10.457 1.233 ( -7.395 5.740 0.227) 9.364 1.586 ( -0.038 -3.242 3.930) 5.095 1.814 ( 5.013 -8.921 9.250) 13.793 2.202 ( -5.592 2.578 1.411) 6.317 2.391 ( -1.055 9.669 0.189) 9.728 2.429 ( 1.979 0.005 1.020) 2.226 2.581 ( -10.682 -11.853 -1.899) 16.068 2.792 ( 2.135 -0.798 -0.759) 2.402 2.963 ( -1.493 -0.315 -3.772) 4.069 3.047 ( 1.835 2.308 4.181) 5.116 3.231 ( 5.052 1.844 -0.643) 5.416 3.376 ( -0.157 -0.866 -2.781) 2.917 3.677 ( -4.430 5.160 -9.051) 11.321 3.993 ( 7.513 -6.230 -1.835) 9.932 4.274 ( -5.278 0.773 1.666) 5.588 4.340 ( -2.539 1.948 0.428) 3.229 4.441 ( -4.983 2.724 3.782) 6.823 4.549 ( 4.705 0.002 -1.307) 4.883 4.645 ( 3.936 2.234 1.964) 4.934 4.751 ( 1.748 -6.411 2.085) 6.965 7.231 ( -6.364 4.065 0.471) 7.566 7.613 ( 8.573 -7.290 0.910) 11.290 8.085 ( -6.024 0.122 -0.343) 6.035 8.263 ( -2.255 2.360 0.593) 3.318 8.776 ( 0.615 5.806 1.000) 5.923 8.972 ( 4.168 -4.999 -1.387) 6.655 9.677 ( -2.777 2.638 -0.993) 3.957 9.795 ( 1.902 -1.664 -0.824) 2.658 10.219 ( -2.572 -0.201 2.205) 3.394 10.493 ( -2.335 0.439 -2.890) 3.741 11.018 ( 0.496 -0.915 0.008) 1.041 11.064 ( 5.197 -0.299 0.064) 5.206 ======================= Grid point 300 (92/102) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -13.140 5.591 0.098) 14.281 1.219 ( 4.201 1.507 8.409) 9.520 1.600 ( -9.834 20.408 -2.597) 22.802 1.654 ( 20.417 -7.858 4.758) 22.388 2.009 ( -7.352 -4.864 7.398) 11.508 2.200 ( -4.056 -3.348 -0.938) 5.343 2.327 ( -2.155 1.115 -2.625) 3.574 2.431 ( 7.529 2.530 -6.705) 10.394 2.770 ( -1.607 -2.521 7.685) 8.246 2.893 ( 1.879 -1.669 -5.803) 6.324 2.990 ( -1.783 1.723 -0.209) 2.488 3.428 ( 2.297 -4.080 1.174) 4.827 3.528 ( -1.812 0.631 4.598) 4.983 3.569 ( 0.053 -2.010 -1.253) 2.370 3.845 ( -4.812 9.808 -1.711) 11.058 4.195 ( 1.643 -2.091 -0.233) 2.670 4.347 ( 1.057 -1.667 -0.589) 2.060 4.491 ( 0.752 -2.573 -0.967) 2.850 4.556 ( -2.302 1.910 0.969) 3.145 4.618 ( 1.203 2.900 4.195) 5.240 4.907 ( -2.206 3.531 -6.953) 8.104 7.074 ( -0.618 1.017 -0.105) 1.194 7.308 ( -6.526 11.780 0.020) 13.467 7.876 ( 0.171 -0.448 0.076) 0.485 8.170 ( -4.856 7.718 -1.850) 9.304 8.889 ( 1.964 -3.525 -0.298) 4.046 9.386 ( 6.337 -10.078 1.108) 11.956 9.669 ( 4.449 1.677 0.906) 4.840 9.759 ( -5.843 -2.063 -0.399) 6.210 9.964 ( -3.624 6.754 1.674) 7.846 10.070 ( -5.579 11.764 -4.071) 13.642 11.163 ( 1.807 -3.111 -0.021) 3.598 11.509 ( 4.800 -8.522 0.418) 9.790 ======================= Grid point 304 (93/102) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 -0.000 0.381) 0.381 1.344 ( -0.000 -0.000 3.330) 3.330 1.629 ( -3.755 -7.509 5.273) 9.914 1.629 ( 3.755 7.509 5.273) 9.914 2.318 ( -2.320 -4.639 3.205) 6.097 2.318 ( 2.320 4.639 3.205) 6.097 2.610 ( -3.642 -7.283 -0.435) 8.155 2.610 ( 3.642 7.283 -0.435) 8.155 2.669 ( 0.000 0.000 -6.774) 6.774 2.966 ( -0.000 -0.000 9.482) 9.482 3.116 ( -3.420 -6.841 -2.915) 8.185 3.116 ( 3.420 6.841 -2.915) 8.185 3.379 ( 0.000 0.000 -3.158) 3.158 3.820 ( -3.455 -6.910 -7.452) 10.734 3.820 ( 3.455 6.910 -7.452) 10.734 4.331 ( 0.000 -0.000 -1.288) 1.288 4.448 ( -2.958 -5.916 0.534) 6.635 4.448 ( 2.958 5.916 0.534) 6.635 4.541 ( -2.099 -4.198 5.502) 7.232 4.541 ( 2.099 4.198 5.502) 7.232 4.720 ( 0.000 0.000 1.227) 1.227 7.405 ( -4.451 -8.901 0.745) 9.980 7.405 ( 4.451 8.901 0.745) 9.980 8.135 ( -0.000 -0.000 -0.522) 0.522 8.295 ( -0.000 -0.000 0.902) 0.902 8.856 ( -2.260 -4.521 -0.215) 5.059 8.856 ( 2.260 4.521 -0.215) 5.059 9.743 ( -1.193 -2.386 -1.118) 2.892 9.743 ( 1.193 2.386 -1.118) 2.892 10.241 ( -0.000 -0.000 2.175) 2.175 10.516 ( 0.000 -0.000 -2.751) 2.751 11.012 ( -0.233 -0.467 0.041) 0.523 11.012 ( 0.233 0.467 0.041) 0.523 ======================= Grid point 310 (94/102) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 13.959 3.873 2.195) 14.651 1.303 ( 7.061 -4.631 7.683) 11.416 1.469 ( -9.952 9.491 -3.101) 14.098 1.908 ( -9.746 3.719 -3.126) 10.890 2.079 ( -0.049 1.448 6.433) 6.594 2.248 ( -5.819 -2.175 0.272) 6.218 2.369 ( -0.426 2.117 -1.078) 2.413 2.398 ( -1.756 9.195 -3.152) 9.878 2.723 ( 2.387 -4.047 0.626) 4.740 2.897 ( -2.800 -0.463 -2.371) 3.699 3.031 ( 0.631 3.118 2.392) 3.980 3.359 ( 0.765 -3.578 1.613) 3.998 3.504 ( 1.624 -5.732 0.526) 5.981 3.547 ( 0.912 -1.119 1.392) 2.006 4.033 ( -7.189 6.745 -0.730) 9.885 4.185 ( -1.348 0.902 0.109) 1.625 4.307 ( 3.114 0.106 -0.817) 3.221 4.438 ( 1.956 -3.661 -0.420) 4.171 4.596 ( 0.294 1.197 0.879) 1.513 4.613 ( 1.599 1.996 3.040) 3.973 4.935 ( -0.645 -1.166 -6.211) 6.352 7.099 ( -0.756 1.817 -0.194) 1.977 7.567 ( -10.458 10.959 0.490) 15.156 7.874 ( -0.627 -0.618 0.058) 0.882 8.257 ( 0.007 1.656 -1.678) 2.358 8.872 ( -0.518 0.837 -1.586) 1.866 9.161 ( 8.197 -9.729 2.285) 12.925 9.624 ( 2.419 0.930 0.663) 2.675 9.813 ( -2.373 -0.937 -0.169) 2.557 10.083 ( -4.065 5.045 0.550) 6.503 10.271 ( -6.490 7.321 -2.281) 10.046 11.097 ( 2.346 -2.872 -0.026) 3.709 11.333 ( 6.263 -7.676 0.240) 9.909 ======================= Grid point 311 (95/102) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -11.958 -9.638 -1.207) 15.406 1.410 ( 0.717 9.267 5.585) 10.843 1.597 ( 13.320 -2.362 -1.108) 13.573 1.876 ( -12.681 -4.471 -2.835) 13.742 2.018 ( 5.613 18.919 -2.586) 19.903 2.165 ( -5.141 3.578 4.273) 7.582 2.373 ( -1.134 0.660 0.652) 1.465 2.522 ( 1.460 6.942 -6.532) 9.643 2.736 ( 1.800 -1.195 5.782) 6.173 2.860 ( 0.595 -1.489 -3.373) 3.734 2.997 ( -4.816 -0.762 2.183) 5.342 3.345 ( 2.099 -4.480 2.363) 5.483 3.500 ( 2.566 -2.097 2.819) 4.350 3.527 ( -1.072 -3.415 4.526) 5.770 4.029 ( -1.791 8.212 -1.000) 8.465 4.170 ( -0.612 -0.254 -0.190) 0.690 4.324 ( -0.260 -2.420 -1.078) 2.662 4.411 ( -0.360 -2.074 -0.489) 2.161 4.593 ( -0.883 0.246 -0.505) 1.046 4.696 ( 2.389 4.241 1.117) 4.994 4.912 ( -0.035 -2.169 -5.706) 6.104 7.109 ( -1.082 2.522 0.083) 2.746 7.550 ( -4.030 12.141 -0.221) 12.795 7.871 ( 0.556 0.516 -0.183) 0.781 8.264 ( -1.848 1.898 -0.571) 2.710 8.867 ( -1.229 0.392 0.063) 1.291 9.169 ( 5.579 -11.638 -0.128) 12.907 9.701 ( 2.130 0.024 1.147) 2.420 9.725 ( -3.001 0.037 -0.344) 3.021 10.092 ( -2.177 6.253 1.271) 6.742 10.275 ( -2.481 9.136 -3.038) 9.942 11.097 ( 1.322 -3.463 -0.006) 3.707 11.332 ( 3.350 -9.305 0.429) 9.899 ======================= Grid point 320 (96/102) ======================= q-point: (-0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 8.628 10.435 2.863) 13.840 1.185 ( 9.852 3.463 -2.078) 10.648 1.682 ( -5.205 4.968 -3.078) 7.826 1.985 ( 2.223 0.140 4.645) 5.151 2.096 ( -7.872 -2.124 0.987) 8.213 2.351 ( 0.489 1.572 -5.081) 5.341 2.398 ( -6.263 1.530 4.169) 7.678 2.564 ( -6.620 -0.332 1.888) 6.892 2.732 ( -4.868 7.744 -1.585) 9.283 2.884 ( 3.118 -4.048 1.576) 5.347 3.028 ( 3.277 3.686 1.999) 5.322 3.355 ( -3.366 -2.006 1.629) 4.243 3.366 ( 8.399 -4.977 -3.862) 10.500 3.530 ( -0.641 -2.132 0.895) 2.399 4.149 ( -2.974 -6.341 1.728) 7.214 4.222 ( -0.268 4.034 -0.773) 4.116 4.299 ( -2.155 0.449 0.377) 2.234 4.383 ( 1.537 3.708 0.181) 4.018 4.557 ( 2.973 -0.364 1.019) 3.164 4.612 ( 2.861 2.910 0.654) 4.133 4.934 ( -2.104 -3.355 -5.304) 6.619 7.133 ( -0.364 3.186 -0.222) 3.215 7.793 ( -7.300 -3.356 -0.064) 8.035 7.925 ( -4.716 8.353 0.543) 9.608 8.230 ( 3.519 0.590 -1.025) 3.712 8.815 ( 7.697 -3.155 -1.706) 8.492 9.023 ( -0.793 -2.941 2.087) 3.693 9.609 ( 0.629 1.380 0.462) 1.585 9.823 ( -0.051 -0.947 -0.007) 0.949 10.188 ( -3.309 3.134 0.825) 4.631 10.411 ( -3.860 3.576 -1.654) 5.516 11.044 ( 0.838 -1.633 -0.098) 1.838 11.170 ( 5.024 -5.899 0.151) 7.750 ======================= Grid point 321 (97/102) ======================= q-point: (-0.22 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -4.067 1.124 0.649) 4.269 1.321 ( 8.059 4.169 -1.022) 9.131 1.614 ( -7.571 1.222 -4.210) 8.749 1.980 ( 4.115 2.768 -4.171) 6.480 2.088 ( -1.935 5.865 7.151) 9.449 2.247 ( -7.570 0.378 -0.135) 7.581 2.389 ( 0.026 1.991 0.777) 2.138 2.574 ( 5.383 2.404 -0.272) 5.901 2.717 ( -5.131 7.295 -3.977) 9.765 2.889 ( -0.084 -1.403 1.550) 2.092 3.060 ( -2.887 0.150 2.018) 3.526 3.282 ( -0.848 -4.430 3.512) 5.717 3.422 ( 3.862 -2.632 0.293) 4.683 3.517 ( -0.514 -1.573 4.869) 5.142 4.047 ( 1.734 -6.530 1.212) 6.864 4.232 ( -3.095 3.113 0.370) 4.405 4.299 ( -0.592 1.725 -2.422) 3.032 4.425 ( -0.532 3.482 0.445) 3.550 4.590 ( 1.103 -1.542 0.232) 1.910 4.704 ( 2.309 4.846 -0.974) 5.455 4.861 ( 0.460 -5.776 -5.741) 8.157 7.164 ( -1.345 4.844 -0.200) 5.031 7.674 ( -2.436 -1.759 -0.367) 3.027 7.927 ( -3.988 7.556 0.267) 8.548 8.281 ( 0.967 0.993 -0.885) 1.644 8.902 ( 0.479 1.747 -1.107) 2.123 8.965 ( 4.117 -9.986 1.682) 10.932 9.660 ( 2.724 2.400 0.714) 3.700 9.780 ( -3.161 -2.100 0.066) 3.795 10.177 ( -2.146 4.425 0.270) 4.925 10.396 ( -3.031 5.342 -1.227) 6.263 11.043 ( 1.387 -2.384 0.023) 2.758 11.183 ( 4.277 -7.486 0.196) 8.624 ======================= Grid point 322 (98/102) ======================= q-point: (-0.11 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -15.174 -2.485 -4.667) 16.069 1.406 ( -5.870 -14.229 -2.934) 15.670 1.591 ( 5.267 8.576 2.944) 10.486 1.916 ( -6.554 4.856 -1.537) 8.301 2.236 ( 1.599 4.915 1.422) 5.361 2.274 ( 6.515 2.309 -2.321) 7.291 2.386 ( 0.095 3.185 1.791) 3.655 2.714 ( 4.323 -0.294 3.007) 5.274 2.727 ( -1.142 13.048 -5.210) 14.096 2.837 ( -3.471 -1.081 -2.177) 4.238 2.980 ( -4.343 -0.502 3.855) 5.828 3.226 ( 0.571 -8.394 4.673) 9.624 3.447 ( -0.655 -2.812 1.008) 3.058 3.492 ( 2.462 0.532 5.315) 5.881 4.102 ( 6.907 -0.555 -0.855) 6.982 4.204 ( -2.904 3.013 2.638) 4.947 4.282 ( -2.415 0.101 -2.465) 3.452 4.431 ( -2.506 2.591 0.979) 3.734 4.572 ( -0.188 -1.802 -1.147) 2.144 4.698 ( -1.993 -5.016 -2.886) 6.120 4.897 ( 3.913 1.662 -3.561) 5.545 7.156 ( -3.261 1.765 -0.072) 3.709 7.721 ( 6.017 5.095 -0.437) 7.897 7.939 ( -3.072 6.915 -0.025) 7.566 8.264 ( -2.987 -1.396 -0.109) 3.299 8.809 ( -3.094 -7.897 2.615) 8.876 9.026 ( 5.171 -1.412 -2.469) 5.902 9.666 ( -3.207 -2.227 0.521) 3.939 9.762 ( 2.328 2.314 0.274) 3.294 10.195 ( -1.032 4.110 0.725) 4.299 10.413 ( -1.068 5.038 -1.811) 5.459 11.044 ( 0.960 -1.583 0.089) 1.854 11.169 ( 2.510 -7.214 0.231) 7.642 ======================= Grid point 328 (99/102) ======================= q-point: (-0.44 0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 10.685 8.598 -1.809) 13.834 1.149 ( -1.232 16.027 -4.148) 16.601 1.711 ( 0.051 -6.462 -1.581) 6.653 1.971 ( 3.906 5.978 3.958) 8.165 2.219 ( -7.629 -2.023 1.870) 8.111 2.309 ( 3.129 -1.531 -5.278) 6.324 2.450 ( -1.245 -4.038 2.316) 4.819 2.707 ( -5.394 4.034 2.384) 7.145 2.766 ( 0.801 -6.098 2.453) 6.621 2.906 ( -3.992 3.244 -0.435) 5.162 3.002 ( 4.457 3.732 2.321) 6.259 3.152 ( 8.948 -1.268 -3.380) 9.648 3.406 ( -2.713 -0.038 0.724) 2.808 3.515 ( -0.445 -3.309 3.204) 4.627 4.097 ( -3.424 -9.074 0.994) 9.750 4.254 ( 1.862 -0.618 2.953) 3.545 4.288 ( 2.023 4.453 -1.928) 5.257 4.464 ( 1.426 4.929 1.471) 5.338 4.540 ( -1.918 1.237 -3.275) 3.992 4.592 ( 0.110 3.255 -0.087) 3.258 4.930 ( -1.448 -4.432 -4.128) 6.227 7.164 ( 1.279 4.021 -0.218) 4.225 7.788 ( -3.021 -10.217 -0.575) 10.670 8.054 ( 2.103 0.969 0.342) 2.341 8.210 ( 0.492 7.011 -0.066) 7.028 8.702 ( 1.462 2.003 0.726) 2.584 9.029 ( -1.653 -2.959 -0.556) 3.434 9.627 ( -0.285 2.746 0.435) 2.794 9.802 ( 0.812 -2.019 0.174) 2.183 10.236 ( 0.196 0.696 0.765) 1.052 10.462 ( 0.255 0.523 -1.423) 1.537 11.042 ( -0.263 -0.567 -0.047) 0.627 11.081 ( -1.262 -2.163 0.182) 2.511 ======================= Grid point 330 (100/102) ======================= q-point: (-0.33 0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 5.758 15.992 -0.908) 17.021 1.284 ( 1.195 4.135 -4.608) 6.305 1.673 ( 2.774 -3.838 -4.941) 6.844 1.931 ( -8.069 -10.889 -1.233) 13.608 2.150 ( 1.523 11.248 6.460) 13.060 2.381 ( -1.960 1.274 2.633) 3.521 2.445 ( 7.500 0.735 -2.642) 7.985 2.551 ( -14.143 2.737 0.888) 14.433 2.774 ( 6.158 -7.162 2.972) 9.902 2.902 ( -4.059 8.764 -0.730) 9.686 3.100 ( 1.329 2.973 0.872) 3.371 3.252 ( 2.749 -6.193 -2.216) 7.129 3.342 ( -0.357 -1.227 -0.121) 1.283 3.520 ( 1.291 2.836 5.632) 6.436 3.915 ( -1.551 -14.402 5.282) 15.418 4.286 ( -0.104 2.159 0.354) 2.190 4.363 ( -0.512 5.826 -1.922) 6.156 4.506 ( -2.214 5.906 -0.228) 6.311 4.541 ( 1.546 -0.696 -2.645) 3.142 4.670 ( 5.591 2.371 -0.452) 6.089 4.826 ( -3.604 -7.145 -4.878) 9.372 7.240 ( 0.306 7.818 -0.417) 7.835 7.630 ( -1.976 -10.999 -0.677) 11.196 8.074 ( -2.810 5.054 0.748) 5.831 8.278 ( 1.028 3.429 -0.786) 3.665 8.789 ( 6.332 0.967 -0.125) 6.407 8.948 ( -3.399 -4.892 0.773) 6.007 9.662 ( 0.729 3.580 0.455) 3.682 9.784 ( -0.444 -2.788 0.223) 2.832 10.241 ( -1.107 2.154 0.423) 2.458 10.467 ( -1.070 2.075 -0.727) 2.445 11.019 ( -0.782 -0.945 -0.061) 1.229 11.064 ( 2.550 -4.595 0.144) 5.257 ======================= Grid point 331 (101/102) ======================= q-point: (-0.22 0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -15.105 2.905 -4.754) 16.100 1.390 ( -3.169 -2.149 -5.709) 6.874 1.564 ( 0.647 0.810 2.159) 2.395 1.988 ( 13.535 -1.742 -3.584) 14.109 2.227 ( -9.516 -2.674 3.116) 10.364 2.277 ( -2.068 10.137 2.295) 10.597 2.417 ( -2.042 -0.777 1.490) 2.645 2.617 ( 6.304 5.853 -0.322) 8.608 2.794 ( 4.058 -9.127 2.568) 10.314 2.925 ( -5.121 10.450 -3.382) 12.119 3.045 ( -4.580 -0.951 -0.608) 4.717 3.209 ( -2.272 -2.378 2.683) 4.245 3.379 ( 4.843 -2.364 -0.931) 5.469 3.510 ( -4.428 0.904 8.440) 9.574 3.904 ( 11.920 -5.048 3.287) 13.355 4.278 ( -2.663 1.618 0.636) 3.181 4.366 ( -4.687 3.330 -2.675) 6.341 4.507 ( -2.261 2.440 0.789) 3.419 4.556 ( 0.043 -0.090 -1.993) 1.995 4.693 ( -3.835 -6.330 -2.975) 7.977 4.809 ( 7.759 1.482 -3.840) 8.783 7.255 ( -6.078 3.015 -0.406) 6.797 7.605 ( 8.407 -2.417 -0.666) 8.773 8.067 ( -3.549 4.938 0.587) 6.109 8.296 ( -1.567 0.129 -0.746) 1.740 8.796 ( -4.070 -5.733 1.452) 7.179 8.939 ( 5.764 1.304 -0.703) 5.951 9.687 ( -1.763 -0.522 0.527) 1.913 9.758 ( 0.870 0.723 0.204) 1.150 10.242 ( -1.160 1.928 0.340) 2.276 10.468 ( -1.224 1.944 -0.711) 2.405 11.018 ( 1.200 0.181 0.137) 1.221 11.064 ( 2.698 -4.475 0.007) 5.225 ======================= Grid point 340 (102/102) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.34e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.000 0.000 -4.744) 4.744 1.453 ( -0.000 0.000 -7.738) 7.738 1.686 ( -5.527 -11.055 -0.121) 12.360 1.686 ( 5.527 11.055 -0.121) 12.360 2.325 ( -2.189 -4.378 2.768) 5.623 2.325 ( 2.189 4.378 2.768) 5.623 2.514 ( -0.000 -0.000 8.956) 8.956 2.621 ( -2.527 -5.053 -1.941) 5.974 2.621 ( 2.527 5.053 -1.941) 5.974 3.103 ( -3.926 -7.856 -1.575) 8.923 3.103 ( 3.927 7.858 -1.575) 8.924 3.105 ( -0.000 -0.002 -3.352) 3.352 3.326 ( 0.000 -0.000 1.010) 1.010 3.662 ( -4.957 -9.913 7.524) 13.396 3.662 ( 4.957 9.913 7.524) 13.396 4.308 ( -0.000 0.000 1.007) 1.007 4.472 ( -2.046 -4.091 -1.403) 4.785 4.472 ( 2.046 4.091 -1.403) 4.785 4.646 ( -2.783 -5.567 -4.783) 7.849 4.646 ( 2.783 5.567 -4.783) 7.849 4.733 ( 0.000 -0.000 -0.047) 0.047 7.419 ( -4.550 -9.100 -0.640) 10.194 7.419 ( 4.550 9.100 -0.640) 10.194 8.121 ( 0.000 0.000 0.874) 0.874 8.315 ( 0.000 0.000 -0.912) 0.912 8.850 ( -2.069 -4.139 0.426) 4.647 8.850 ( 2.069 4.139 0.426) 4.647 9.728 ( -1.253 -2.506 0.322) 2.820 9.728 ( 1.253 2.506 0.322) 2.820 10.263 ( 0.000 0.000 0.376) 0.376 10.488 ( 0.000 -0.000 -0.380) 0.380 11.012 ( -0.287 -0.574 0.020) 0.642 11.012 ( 0.287 0.574 0.020) 0.642 =================== 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 3/18711 10.0 65.600 65.600 62.445 0.000 0.000 -0.000 3/18711 20.0 24.248 24.248 15.747 0.000 0.000 -0.000 3/18711 30.0 12.930 12.930 7.234 0.000 0.000 -0.000 3/18711 40.0 8.515 8.515 4.419 0.000 0.000 -0.000 3/18711 50.0 6.314 6.314 3.146 0.000 0.000 -0.000 3/18711 60.0 5.024 5.024 2.444 0.000 0.000 -0.000 3/18711 70.0 4.184 4.184 2.005 0.000 0.000 -0.000 3/18711 80.0 3.594 3.594 1.704 0.000 0.000 -0.000 3/18711 90.0 3.157 3.157 1.486 0.000 0.000 -0.000 3/18711 100.0 2.820 2.820 1.320 0.000 0.000 -0.000 3/18711 110.0 2.553 2.553 1.189 0.000 0.000 -0.000 3/18711 120.0 2.334 2.334 1.083 0.000 0.000 -0.000 3/18711 130.0 2.152 2.152 0.996 0.000 0.000 -0.000 3/18711 140.0 1.998 1.998 0.922 0.000 0.000 -0.000 3/18711 150.0 1.865 1.865 0.859 0.000 0.000 -0.000 3/18711 160.0 1.750 1.750 0.804 0.000 0.000 -0.000 3/18711 170.0 1.648 1.648 0.756 0.000 0.000 -0.000 3/18711 180.0 1.558 1.558 0.714 0.000 0.000 -0.000 3/18711 190.0 1.478 1.478 0.676 0.000 0.000 -0.000 3/18711 200.0 1.405 1.405 0.642 0.000 0.000 -0.000 3/18711 210.0 1.340 1.340 0.612 0.000 0.000 -0.000 3/18711 220.0 1.280 1.280 0.584 0.000 0.000 -0.000 3/18711 230.0 1.226 1.226 0.559 0.000 0.000 -0.000 3/18711 240.0 1.176 1.176 0.536 0.000 0.000 -0.000 3/18711 250.0 1.130 1.130 0.514 0.000 0.000 -0.000 3/18711 260.0 1.087 1.087 0.495 0.000 0.000 -0.000 3/18711 270.0 1.048 1.048 0.476 0.000 0.000 -0.000 3/18711 280.0 1.011 1.011 0.460 0.000 0.000 -0.000 3/18711 290.0 0.977 0.977 0.444 0.000 0.000 -0.000 3/18711 300.0 0.945 0.945 0.429 0.000 0.000 -0.000 3/18711 310.0 0.915 0.915 0.415 0.000 0.000 -0.000 3/18711 320.0 0.887 0.887 0.403 0.000 0.000 -0.000 3/18711 330.0 0.861 0.861 0.390 0.000 0.000 -0.000 3/18711 340.0 0.836 0.836 0.379 0.000 0.000 -0.000 3/18711 350.0 0.812 0.812 0.368 0.000 0.000 -0.000 3/18711 360.0 0.790 0.790 0.358 0.000 0.000 -0.000 3/18711 370.0 0.769 0.769 0.349 0.000 0.000 -0.000 3/18711 380.0 0.749 0.749 0.340 0.000 0.000 -0.000 3/18711 390.0 0.730 0.730 0.331 0.000 0.000 -0.000 3/18711 400.0 0.712 0.712 0.323 0.000 0.000 -0.000 3/18711 410.0 0.695 0.695 0.315 0.000 0.000 -0.000 3/18711 420.0 0.679 0.679 0.307 0.000 0.000 -0.000 3/18711 430.0 0.663 0.663 0.300 0.000 0.000 -0.000 3/18711 440.0 0.649 0.649 0.294 0.000 0.000 -0.000 3/18711 450.0 0.634 0.634 0.287 0.000 0.000 -0.000 3/18711 460.0 0.621 0.621 0.281 0.000 0.000 -0.000 3/18711 470.0 0.608 0.608 0.275 0.000 0.000 -0.000 3/18711 480.0 0.595 0.595 0.269 0.000 0.000 -0.000 3/18711 490.0 0.583 0.583 0.264 0.000 0.000 -0.000 3/18711 500.0 0.572 0.572 0.259 0.000 0.000 -0.000 3/18711 510.0 0.561 0.561 0.253 0.000 0.000 -0.000 3/18711 520.0 0.550 0.550 0.249 0.000 0.000 -0.000 3/18711 530.0 0.540 0.540 0.244 0.000 0.000 -0.000 3/18711 540.0 0.530 0.530 0.239 0.000 0.000 -0.000 3/18711 550.0 0.520 0.520 0.235 0.000 0.000 -0.000 3/18711 560.0 0.511 0.511 0.231 0.000 0.000 -0.000 3/18711 570.0 0.502 0.502 0.227 0.000 0.000 -0.000 3/18711 580.0 0.494 0.494 0.223 0.000 0.000 -0.000 3/18711 590.0 0.485 0.485 0.219 0.000 0.000 -0.000 3/18711 600.0 0.477 0.477 0.216 0.000 0.000 -0.000 3/18711 610.0 0.469 0.469 0.212 0.000 0.000 -0.000 3/18711 620.0 0.462 0.462 0.209 0.000 0.000 -0.000 3/18711 630.0 0.455 0.455 0.205 0.000 0.000 -0.000 3/18711 640.0 0.448 0.448 0.202 0.000 0.000 -0.000 3/18711 650.0 0.441 0.441 0.199 0.000 0.000 -0.000 3/18711 660.0 0.434 0.434 0.196 0.000 0.000 -0.000 3/18711 670.0 0.428 0.428 0.193 0.000 0.000 -0.000 3/18711 680.0 0.422 0.422 0.190 0.000 0.000 -0.000 3/18711 690.0 0.415 0.415 0.188 0.000 0.000 -0.000 3/18711 700.0 0.410 0.410 0.185 0.000 0.000 -0.000 3/18711 710.0 0.404 0.404 0.182 0.000 0.000 -0.000 3/18711 720.0 0.398 0.398 0.180 0.000 0.000 -0.000 3/18711 730.0 0.393 0.393 0.177 0.000 0.000 -0.000 3/18711 740.0 0.388 0.388 0.175 0.000 0.000 -0.000 3/18711 750.0 0.382 0.382 0.173 0.000 0.000 -0.000 3/18711 760.0 0.377 0.377 0.170 0.000 0.000 -0.000 3/18711 770.0 0.373 0.373 0.168 0.000 0.000 -0.000 3/18711 780.0 0.368 0.368 0.166 0.000 0.000 -0.000 3/18711 790.0 0.363 0.363 0.164 0.000 0.000 -0.000 3/18711 800.0 0.359 0.359 0.162 0.000 0.000 -0.000 3/18711 810.0 0.354 0.354 0.160 0.000 0.000 -0.000 3/18711 820.0 0.350 0.350 0.158 0.000 0.000 -0.000 3/18711 830.0 0.346 0.346 0.156 0.000 0.000 -0.000 3/18711 840.0 0.342 0.342 0.154 0.000 0.000 -0.000 3/18711 850.0 0.338 0.338 0.152 0.000 0.000 -0.000 3/18711 860.0 0.334 0.334 0.151 0.000 0.000 -0.000 3/18711 870.0 0.330 0.330 0.149 0.000 0.000 -0.000 3/18711 880.0 0.326 0.326 0.147 0.000 0.000 -0.000 3/18711 890.0 0.323 0.323 0.146 0.000 0.000 -0.000 3/18711 900.0 0.319 0.319 0.144 0.000 0.000 -0.000 3/18711 910.0 0.316 0.316 0.142 0.000 0.000 -0.000 3/18711 920.0 0.312 0.312 0.141 0.000 0.000 -0.000 3/18711 930.0 0.309 0.309 0.139 0.000 0.000 -0.000 3/18711 940.0 0.306 0.306 0.138 0.000 0.000 -0.000 3/18711 950.0 0.302 0.302 0.136 0.000 0.000 -0.000 3/18711 960.0 0.299 0.299 0.135 0.000 0.000 -0.000 3/18711 970.0 0.296 0.296 0.134 0.000 0.000 -0.000 3/18711 980.0 0.293 0.293 0.132 0.000 0.000 -0.000 3/18711 990.0 0.290 0.290 0.131 0.000 0.000 -0.000 3/18711 1000.0 0.287 0.287 0.130 0.000 0.000 -0.000 3/18711 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:46:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|