----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:16:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.529017165000000 2.529017165000000 5.684788125000000 b 2.529017165000000 -2.529017165000000 5.684788125000000 c 2.529017165000000 2.529017165000000 -5.684788125000000 Atomic positions (fractional): *1 O 0.17265566286080 0.56359861304809 0.89414206025660 15.999 2 O 0.31359861304809 0.91945655279149 0.89094295018729 15.999 3 O 0.02851360260420 0.42265566286080 0.10905704981271 15.999 4 O 0.66945655279149 0.27851360260420 0.10585793974340 15.999 5 O 0.08054344720851 0.97148639739580 0.39414206025660 15.999 6 O 0.72148639739580 0.82734433713920 0.39094295018729 15.999 7 O 0.43640138695191 0.33054344720851 0.60905704981271 15.999 8 O 0.57734433713920 0.68640138695191 0.60585793974340 15.999 *9 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 10 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 *11 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 12 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.058034330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058034330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.369576250000000 Atomic positions (fractional): *1 O 0.14254250522195 0.75159955503465 0.42105610782615 15.999 > 1 2 O 0.74840044496535 0.14254250522195 0.17105610782615 15.999 > 2 3 O 0.25159955503465 0.85745749477805 0.17105610782615 15.999 > 3 4 O 0.85745749477805 0.24840044496535 0.42105610782615 15.999 > 4 5 O 0.64254250522195 0.75159955503465 0.32894389217385 15.999 > 5 6 O 0.74840044496535 0.64254250522195 0.07894389217385 15.999 > 6 7 O 0.25159955503465 0.35745749477805 0.07894389217385 15.999 > 7 8 O 0.35745749477805 0.24840044496535 0.32894389217385 15.999 > 8 9 O 0.64254250522195 0.25159955503465 0.92105610782615 15.999 > 1 10 O 0.24840044496535 0.64254250522195 0.67105610782615 15.999 > 2 11 O 0.75159955503465 0.35745749477805 0.67105610782615 15.999 > 3 12 O 0.35745749477805 0.74840044496535 0.92105610782615 15.999 > 4 13 O 0.14254250522195 0.25159955503465 0.82894389217385 15.999 > 5 14 O 0.24840044496535 0.14254250522195 0.57894389217385 15.999 > 6 15 O 0.75159955503465 0.85745749477805 0.57894389217385 15.999 > 7 16 O 0.85745749477805 0.74840044496535 0.82894389217385 15.999 > 8 *17 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 18 As 0.50000000000000 0.00000000000000 0.25000000000000 74.922 > 10 19 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 9 20 As 0.00000000000000 0.50000000000000 0.75000000000000 74.922 > 10 *21 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 11 22 Sm 0.00000000000000 0.50000000000000 0.25000000000000 150.360 > 12 23 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 11 24 Sm 0.50000000000000 0.00000000000000 0.75000000000000 150.360 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.116068660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.116068660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.369576250000000 Atomic positions (fractional): *1 O 0.07127125261097 0.37579977751733 0.42105610782615 15.999 > 1 2 O 0.57127125261097 0.37579977751733 0.42105610782615 15.999 > 1 3 O 0.07127125261097 0.87579977751733 0.42105610782615 15.999 > 1 4 O 0.57127125261097 0.87579977751733 0.42105610782615 15.999 > 1 5 O 0.37420022248267 0.07127125261097 0.17105610782615 15.999 > 2 6 O 0.87420022248267 0.07127125261097 0.17105610782615 15.999 > 2 7 O 0.37420022248267 0.57127125261097 0.17105610782615 15.999 > 2 8 O 0.87420022248267 0.57127125261097 0.17105610782615 15.999 > 2 9 O 0.12579977751733 0.42872874738903 0.17105610782615 15.999 > 3 10 O 0.62579977751733 0.42872874738903 0.17105610782615 15.999 > 3 11 O 0.12579977751733 0.92872874738903 0.17105610782615 15.999 > 3 12 O 0.62579977751733 0.92872874738903 0.17105610782615 15.999 > 3 13 O 0.42872874738903 0.12420022248267 0.42105610782615 15.999 > 4 14 O 0.92872874738903 0.12420022248267 0.42105610782615 15.999 > 4 15 O 0.42872874738903 0.62420022248267 0.42105610782615 15.999 > 4 16 O 0.92872874738903 0.62420022248267 0.42105610782615 15.999 > 4 17 O 0.32127125261097 0.37579977751733 0.32894389217385 15.999 > 5 18 O 0.82127125261097 0.37579977751733 0.32894389217385 15.999 > 5 19 O 0.32127125261097 0.87579977751733 0.32894389217385 15.999 > 5 20 O 0.82127125261097 0.87579977751733 0.32894389217385 15.999 > 5 21 O 0.37420022248267 0.32127125261097 0.07894389217385 15.999 > 6 22 O 0.87420022248267 0.32127125261097 0.07894389217385 15.999 > 6 23 O 0.37420022248267 0.82127125261097 0.07894389217385 15.999 > 6 24 O 0.87420022248267 0.82127125261097 0.07894389217385 15.999 > 6 25 O 0.12579977751733 0.17872874738903 0.07894389217385 15.999 > 7 26 O 0.62579977751733 0.17872874738903 0.07894389217385 15.999 > 7 27 O 0.12579977751733 0.67872874738903 0.07894389217385 15.999 > 7 28 O 0.62579977751733 0.67872874738903 0.07894389217385 15.999 > 7 29 O 0.17872874738903 0.12420022248267 0.32894389217385 15.999 > 8 30 O 0.67872874738903 0.12420022248267 0.32894389217385 15.999 > 8 31 O 0.17872874738903 0.62420022248267 0.32894389217385 15.999 > 8 32 O 0.67872874738903 0.62420022248267 0.32894389217385 15.999 > 8 33 O 0.32127125261097 0.12579977751733 0.92105610782615 15.999 > 1 34 O 0.82127125261097 0.12579977751733 0.92105610782615 15.999 > 1 35 O 0.32127125261097 0.62579977751733 0.92105610782615 15.999 > 1 36 O 0.82127125261097 0.62579977751733 0.92105610782615 15.999 > 1 37 O 0.12420022248267 0.32127125261097 0.67105610782615 15.999 > 2 38 O 0.62420022248267 0.32127125261097 0.67105610782615 15.999 > 2 39 O 0.12420022248267 0.82127125261097 0.67105610782615 15.999 > 2 40 O 0.62420022248267 0.82127125261097 0.67105610782615 15.999 > 2 41 O 0.37579977751733 0.17872874738903 0.67105610782615 15.999 > 3 42 O 0.87579977751733 0.17872874738903 0.67105610782615 15.999 > 3 43 O 0.37579977751733 0.67872874738903 0.67105610782615 15.999 > 3 44 O 0.87579977751733 0.67872874738903 0.67105610782615 15.999 > 3 45 O 0.17872874738903 0.37420022248267 0.92105610782615 15.999 > 4 46 O 0.67872874738903 0.37420022248267 0.92105610782615 15.999 > 4 47 O 0.17872874738903 0.87420022248267 0.92105610782615 15.999 > 4 48 O 0.67872874738903 0.87420022248267 0.92105610782615 15.999 > 4 49 O 0.07127125261097 0.12579977751733 0.82894389217385 15.999 > 5 50 O 0.57127125261097 0.12579977751733 0.82894389217385 15.999 > 5 51 O 0.07127125261097 0.62579977751733 0.82894389217385 15.999 > 5 52 O 0.57127125261097 0.62579977751733 0.82894389217385 15.999 > 5 53 O 0.12420022248267 0.07127125261097 0.57894389217385 15.999 > 6 54 O 0.62420022248267 0.07127125261097 0.57894389217385 15.999 > 6 55 O 0.12420022248267 0.57127125261097 0.57894389217385 15.999 > 6 56 O 0.62420022248267 0.57127125261097 0.57894389217385 15.999 > 6 57 O 0.37579977751733 0.42872874738903 0.57894389217385 15.999 > 7 58 O 0.87579977751733 0.42872874738903 0.57894389217385 15.999 > 7 59 O 0.37579977751733 0.92872874738903 0.57894389217385 15.999 > 7 60 O 0.87579977751733 0.92872874738903 0.57894389217385 15.999 > 7 61 O 0.42872874738903 0.37420022248267 0.82894389217385 15.999 > 8 62 O 0.92872874738903 0.37420022248267 0.82894389217385 15.999 > 8 63 O 0.42872874738903 0.87420022248267 0.82894389217385 15.999 > 8 64 O 0.92872874738903 0.87420022248267 0.82894389217385 15.999 > 8 *65 As 0.25000000000000 0.25000000000000 0.00000000000000 74.922 > 9 66 As 0.75000000000000 0.25000000000000 0.00000000000000 74.922 > 9 67 As 0.25000000000000 0.75000000000000 0.00000000000000 74.922 > 9 68 As 0.75000000000000 0.75000000000000 0.00000000000000 74.922 > 9 69 As 0.25000000000000 0.00000000000000 0.25000000000000 74.922 > 10 70 As 0.75000000000000 0.00000000000000 0.25000000000000 74.922 > 10 71 As 0.25000000000000 0.50000000000000 0.25000000000000 74.922 > 10 72 As 0.75000000000000 0.50000000000000 0.25000000000000 74.922 > 10 73 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 9 74 As 0.50000000000000 0.00000000000000 0.50000000000000 74.922 > 9 75 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 > 9 76 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 77 As 0.00000000000000 0.25000000000000 0.75000000000000 74.922 > 10 78 As 0.50000000000000 0.25000000000000 0.75000000000000 74.922 > 10 79 As 0.00000000000000 0.75000000000000 0.75000000000000 74.922 > 10 80 As 0.50000000000000 0.75000000000000 0.75000000000000 74.922 > 10 *81 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 11 82 Sm 0.50000000000000 0.00000000000000 0.00000000000000 150.360 > 11 83 Sm 0.00000000000000 0.50000000000000 0.00000000000000 150.360 > 11 84 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 11 85 Sm 0.00000000000000 0.25000000000000 0.25000000000000 150.360 > 12 86 Sm 0.50000000000000 0.25000000000000 0.25000000000000 150.360 > 12 87 Sm 0.00000000000000 0.75000000000000 0.25000000000000 150.360 > 12 88 Sm 0.50000000000000 0.75000000000000 0.25000000000000 150.360 > 12 89 Sm 0.25000000000000 0.25000000000000 0.50000000000000 150.360 > 11 90 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 > 11 91 Sm 0.25000000000000 0.75000000000000 0.50000000000000 150.360 > 11 92 Sm 0.75000000000000 0.75000000000000 0.50000000000000 150.360 > 11 93 Sm 0.25000000000000 0.00000000000000 0.75000000000000 150.360 > 12 94 Sm 0.75000000000000 0.00000000000000 0.75000000000000 150.360 > 12 95 Sm 0.25000000000000 0.50000000000000 0.75000000000000 150.360 > 12 96 Sm 0.75000000000000 0.50000000000000 0.75000000000000 150.360 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0829783 0.0000010 0.0000000 -0.0000010 4.0829783 0.0000000 0.0000000 0.0000000 3.9495604 -------------------------- Born effective charges -------------------------- 1 O -1.9104432 0.5102557 -0.0262569 0.5359150 -2.2357563 -0.5006184 0.0322274 -0.5423471 -1.9711407 2 O -2.2357563 -0.5359150 0.5006184 -0.5102557 -1.9104432 -0.0262569 0.5423471 0.0322274 -1.9711407 3 O -2.2357563 -0.5359150 -0.5006184 -0.5102557 -1.9104432 0.0262569 -0.5423471 -0.0322274 -1.9711407 4 O -1.9104432 0.5102557 0.0262569 0.5359150 -2.2357563 0.5006184 -0.0322274 0.5423471 -1.9711407 5 O -1.9104432 0.5102557 0.0262569 0.5359150 -2.2357563 0.5006184 -0.0322274 0.5423471 -1.9711407 6 O -2.2357563 -0.5359150 -0.5006184 -0.5102557 -1.9104432 0.0262569 -0.5423471 -0.0322274 -1.9711407 7 O -2.2357563 -0.5359150 0.5006184 -0.5102557 -1.9104432 -0.0262569 0.5423471 0.0322274 -1.9711407 8 O -1.9104432 0.5102557 -0.0262569 0.5359150 -2.2357563 -0.5006184 0.0322274 -0.5423471 -1.9711407 9 As 4.1116638 0.1082737 -0.0000000 -0.1082737 4.1116638 0.0000000 -0.0000000 0.0000000 3.7705334 10 As 4.1116638 0.1082737 -0.0000000 -0.1082737 4.1116638 0.0000000 -0.0000000 0.0000000 3.7705334 11 Sm 4.1807353 -0.0569551 -0.0000000 0.0569551 4.1807353 0.0000000 -0.0000000 0.0000000 4.1140294 12 Sm 4.1807353 -0.0569551 -0.0000000 0.0569551 4.1807353 0.0000000 -0.0000000 0.0000000 4.1140294 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.555 Solver_block: 200 / 240 - Time: 0.561 Solver_block: 240 / 240 - Time: 0.280 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.411 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:16:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:16:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.529017165000000 2.529017165000000 5.684788125000000 b 2.529017165000000 -2.529017165000000 5.684788125000000 c 2.529017165000000 2.529017165000000 -5.684788125000000 Atomic positions (fractional): 1 O 0.17265566286080 0.56359861304809 0.89414206025660 15.999 2 O 0.31359861304809 0.91945655279149 0.89094295018729 15.999 3 O 0.02851360260420 0.42265566286080 0.10905704981271 15.999 4 O 0.66945655279149 0.27851360260420 0.10585793974340 15.999 5 O 0.08054344720851 0.97148639739580 0.39414206025660 15.999 6 O 0.72148639739580 0.82734433713920 0.39094295018729 15.999 7 O 0.43640138695191 0.33054344720851 0.60905704981271 15.999 8 O 0.57734433713920 0.68640138695191 0.60585793974340 15.999 9 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 10 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 11 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 12 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.116068660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.116068660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.369576250000000 Atomic positions (fractional): 1 O 0.07127125261097 0.37579977751733 0.42105610782615 15.999 > 1 2 O 0.57127125261097 0.37579977751733 0.42105610782615 15.999 > 1 3 O 0.07127125261097 0.87579977751733 0.42105610782615 15.999 > 1 4 O 0.57127125261097 0.87579977751733 0.42105610782615 15.999 > 1 5 O 0.37420022248267 0.07127125261097 0.17105610782615 15.999 > 5 6 O 0.87420022248267 0.07127125261097 0.17105610782615 15.999 > 5 7 O 0.37420022248267 0.57127125261097 0.17105610782615 15.999 > 5 8 O 0.87420022248267 0.57127125261097 0.17105610782615 15.999 > 5 9 O 0.12579977751733 0.42872874738903 0.17105610782615 15.999 > 9 10 O 0.62579977751733 0.42872874738903 0.17105610782615 15.999 > 9 11 O 0.12579977751733 0.92872874738903 0.17105610782615 15.999 > 9 12 O 0.62579977751733 0.92872874738903 0.17105610782615 15.999 > 9 13 O 0.42872874738903 0.12420022248267 0.42105610782615 15.999 > 13 14 O 0.92872874738903 0.12420022248267 0.42105610782615 15.999 > 13 15 O 0.42872874738903 0.62420022248267 0.42105610782615 15.999 > 13 16 O 0.92872874738903 0.62420022248267 0.42105610782615 15.999 > 13 17 O 0.32127125261097 0.37579977751733 0.32894389217385 15.999 > 17 18 O 0.82127125261097 0.37579977751733 0.32894389217385 15.999 > 17 19 O 0.32127125261097 0.87579977751733 0.32894389217385 15.999 > 17 20 O 0.82127125261097 0.87579977751733 0.32894389217385 15.999 > 17 21 O 0.37420022248267 0.32127125261097 0.07894389217385 15.999 > 21 22 O 0.87420022248267 0.32127125261097 0.07894389217385 15.999 > 21 23 O 0.37420022248267 0.82127125261097 0.07894389217385 15.999 > 21 24 O 0.87420022248267 0.82127125261097 0.07894389217385 15.999 > 21 25 O 0.12579977751733 0.17872874738903 0.07894389217385 15.999 > 25 26 O 0.62579977751733 0.17872874738903 0.07894389217385 15.999 > 25 27 O 0.12579977751733 0.67872874738903 0.07894389217385 15.999 > 25 28 O 0.62579977751733 0.67872874738903 0.07894389217385 15.999 > 25 29 O 0.17872874738903 0.12420022248267 0.32894389217385 15.999 > 29 30 O 0.67872874738903 0.12420022248267 0.32894389217385 15.999 > 29 31 O 0.17872874738903 0.62420022248267 0.32894389217385 15.999 > 29 32 O 0.67872874738903 0.62420022248267 0.32894389217385 15.999 > 29 33 O 0.32127125261097 0.12579977751733 0.92105610782615 15.999 > 1 34 O 0.82127125261097 0.12579977751733 0.92105610782615 15.999 > 1 35 O 0.32127125261097 0.62579977751733 0.92105610782615 15.999 > 1 36 O 0.82127125261097 0.62579977751733 0.92105610782615 15.999 > 1 37 O 0.12420022248267 0.32127125261097 0.67105610782615 15.999 > 5 38 O 0.62420022248267 0.32127125261097 0.67105610782615 15.999 > 5 39 O 0.12420022248267 0.82127125261097 0.67105610782615 15.999 > 5 40 O 0.62420022248267 0.82127125261097 0.67105610782615 15.999 > 5 41 O 0.37579977751733 0.17872874738903 0.67105610782615 15.999 > 9 42 O 0.87579977751733 0.17872874738903 0.67105610782615 15.999 > 9 43 O 0.37579977751733 0.67872874738903 0.67105610782615 15.999 > 9 44 O 0.87579977751733 0.67872874738903 0.67105610782615 15.999 > 9 45 O 0.17872874738903 0.37420022248267 0.92105610782615 15.999 > 13 46 O 0.67872874738903 0.37420022248267 0.92105610782615 15.999 > 13 47 O 0.17872874738903 0.87420022248267 0.92105610782615 15.999 > 13 48 O 0.67872874738903 0.87420022248267 0.92105610782615 15.999 > 13 49 O 0.07127125261097 0.12579977751733 0.82894389217385 15.999 > 17 50 O 0.57127125261097 0.12579977751733 0.82894389217385 15.999 > 17 51 O 0.07127125261097 0.62579977751733 0.82894389217385 15.999 > 17 52 O 0.57127125261097 0.62579977751733 0.82894389217385 15.999 > 17 53 O 0.12420022248267 0.07127125261097 0.57894389217385 15.999 > 21 54 O 0.62420022248267 0.07127125261097 0.57894389217385 15.999 > 21 55 O 0.12420022248267 0.57127125261097 0.57894389217385 15.999 > 21 56 O 0.62420022248267 0.57127125261097 0.57894389217385 15.999 > 21 57 O 0.37579977751733 0.42872874738903 0.57894389217385 15.999 > 25 58 O 0.87579977751733 0.42872874738903 0.57894389217385 15.999 > 25 59 O 0.37579977751733 0.92872874738903 0.57894389217385 15.999 > 25 60 O 0.87579977751733 0.92872874738903 0.57894389217385 15.999 > 25 61 O 0.42872874738903 0.37420022248267 0.82894389217385 15.999 > 29 62 O 0.92872874738903 0.37420022248267 0.82894389217385 15.999 > 29 63 O 0.42872874738903 0.87420022248267 0.82894389217385 15.999 > 29 64 O 0.92872874738903 0.87420022248267 0.82894389217385 15.999 > 29 65 As 0.25000000000000 0.25000000000000 0.00000000000000 74.922 > 65 66 As 0.75000000000000 0.25000000000000 0.00000000000000 74.922 > 65 67 As 0.25000000000000 0.75000000000000 0.00000000000000 74.922 > 65 68 As 0.75000000000000 0.75000000000000 0.00000000000000 74.922 > 65 69 As 0.25000000000000 0.00000000000000 0.25000000000000 74.922 > 69 70 As 0.75000000000000 0.00000000000000 0.25000000000000 74.922 > 69 71 As 0.25000000000000 0.50000000000000 0.25000000000000 74.922 > 69 72 As 0.75000000000000 0.50000000000000 0.25000000000000 74.922 > 69 73 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 65 74 As 0.50000000000000 0.00000000000000 0.50000000000000 74.922 > 65 75 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 > 65 76 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 65 77 As 0.00000000000000 0.25000000000000 0.75000000000000 74.922 > 69 78 As 0.50000000000000 0.25000000000000 0.75000000000000 74.922 > 69 79 As 0.00000000000000 0.75000000000000 0.75000000000000 74.922 > 69 80 As 0.50000000000000 0.75000000000000 0.75000000000000 74.922 > 69 81 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 81 82 Sm 0.50000000000000 0.00000000000000 0.00000000000000 150.360 > 81 83 Sm 0.00000000000000 0.50000000000000 0.00000000000000 150.360 > 81 84 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 81 85 Sm 0.00000000000000 0.25000000000000 0.25000000000000 150.360 > 85 86 Sm 0.50000000000000 0.25000000000000 0.25000000000000 150.360 > 85 87 Sm 0.00000000000000 0.75000000000000 0.25000000000000 150.360 > 85 88 Sm 0.50000000000000 0.75000000000000 0.25000000000000 150.360 > 85 89 Sm 0.25000000000000 0.25000000000000 0.50000000000000 150.360 > 81 90 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 > 81 91 Sm 0.25000000000000 0.75000000000000 0.50000000000000 150.360 > 81 92 Sm 0.75000000000000 0.75000000000000 0.50000000000000 150.360 > 81 93 Sm 0.25000000000000 0.00000000000000 0.75000000000000 150.360 > 85 94 Sm 0.75000000000000 0.00000000000000 0.75000000000000 150.360 > 85 95 Sm 0.25000000000000 0.50000000000000 0.75000000000000 150.360 > 85 96 Sm 0.75000000000000 0.50000000000000 0.75000000000000 150.360 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0829783 0.0000010 0.0000000 -0.0000010 4.0829783 0.0000000 0.0000000 0.0000000 3.9495604 -------------------------- Born effective charges -------------------------- 1 O -1.9104432 0.5102557 -0.0262569 0.5359150 -2.2357563 -0.5006184 0.0322274 -0.5423471 -1.9711407 2 O -2.2357563 -0.5359150 0.5006184 -0.5102557 -1.9104432 -0.0262569 0.5423471 0.0322274 -1.9711407 3 O -2.2357563 -0.5359150 -0.5006184 -0.5102557 -1.9104432 0.0262569 -0.5423471 -0.0322274 -1.9711407 4 O -1.9104432 0.5102557 0.0262569 0.5359150 -2.2357563 0.5006184 -0.0322274 0.5423471 -1.9711407 5 O -1.9104432 0.5102557 0.0262569 0.5359150 -2.2357563 0.5006184 -0.0322274 0.5423471 -1.9711407 6 O -2.2357563 -0.5359150 -0.5006184 -0.5102557 -1.9104432 0.0262569 -0.5423471 -0.0322274 -1.9711407 7 O -2.2357563 -0.5359150 0.5006184 -0.5102557 -1.9104432 -0.0262569 0.5423471 0.0322274 -1.9711407 8 O -1.9104432 0.5102557 -0.0262569 0.5359150 -2.2357563 -0.5006184 0.0322274 -0.5423471 -1.9711407 9 As 4.1116638 0.1082737 -0.0000000 -0.1082737 4.1116638 0.0000000 -0.0000000 0.0000000 3.7705334 10 As 4.1116638 0.1082737 -0.0000000 -0.1082737 4.1116638 0.0000000 -0.0000000 0.0000000 3.7705334 11 Sm 4.1807353 -0.0569551 -0.0000000 0.0569551 4.1807353 0.0000000 -0.0000000 0.0000000 4.1140294 12 Sm 4.1807353 -0.0569551 -0.0000000 0.0569551 4.1807353 0.0000000 -0.0000000 0.0000000 4.1140294 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: 0.00000030 (xzx) 0.00000030 (xzx) 0.00000030 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xy) 0.00000005 (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 2026-01-08 00:17:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:17:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.529017165000000 2.529017165000000 5.684788125000000 b 2.529017165000000 -2.529017165000000 5.684788125000000 c 2.529017165000000 2.529017165000000 -5.684788125000000 Atomic positions (fractional): 1 O 0.17265566286080 0.56359861304809 0.89414206025660 15.999 2 O 0.31359861304809 0.91945655279149 0.89094295018729 15.999 3 O 0.02851360260420 0.42265566286080 0.10905704981271 15.999 4 O 0.66945655279149 0.27851360260420 0.10585793974340 15.999 5 O 0.08054344720851 0.97148639739580 0.39414206025660 15.999 6 O 0.72148639739580 0.82734433713920 0.39094295018729 15.999 7 O 0.43640138695191 0.33054344720851 0.60905704981271 15.999 8 O 0.57734433713920 0.68640138695191 0.60585793974340 15.999 9 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 10 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 11 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 12 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.116068660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.116068660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.369576250000000 Atomic positions (fractional): 1 O 0.07127125261097 0.37579977751733 0.42105610782615 15.999 > 1 2 O 0.57127125261097 0.37579977751733 0.42105610782615 15.999 > 1 3 O 0.07127125261097 0.87579977751733 0.42105610782615 15.999 > 1 4 O 0.57127125261097 0.87579977751733 0.42105610782615 15.999 > 1 5 O 0.37420022248267 0.07127125261097 0.17105610782615 15.999 > 5 6 O 0.87420022248267 0.07127125261097 0.17105610782615 15.999 > 5 7 O 0.37420022248267 0.57127125261097 0.17105610782615 15.999 > 5 8 O 0.87420022248267 0.57127125261097 0.17105610782615 15.999 > 5 9 O 0.12579977751733 0.42872874738903 0.17105610782615 15.999 > 9 10 O 0.62579977751733 0.42872874738903 0.17105610782615 15.999 > 9 11 O 0.12579977751733 0.92872874738903 0.17105610782615 15.999 > 9 12 O 0.62579977751733 0.92872874738903 0.17105610782615 15.999 > 9 13 O 0.42872874738903 0.12420022248267 0.42105610782615 15.999 > 13 14 O 0.92872874738903 0.12420022248267 0.42105610782615 15.999 > 13 15 O 0.42872874738903 0.62420022248267 0.42105610782615 15.999 > 13 16 O 0.92872874738903 0.62420022248267 0.42105610782615 15.999 > 13 17 O 0.32127125261097 0.37579977751733 0.32894389217385 15.999 > 17 18 O 0.82127125261097 0.37579977751733 0.32894389217385 15.999 > 17 19 O 0.32127125261097 0.87579977751733 0.32894389217385 15.999 > 17 20 O 0.82127125261097 0.87579977751733 0.32894389217385 15.999 > 17 21 O 0.37420022248267 0.32127125261097 0.07894389217385 15.999 > 21 22 O 0.87420022248267 0.32127125261097 0.07894389217385 15.999 > 21 23 O 0.37420022248267 0.82127125261097 0.07894389217385 15.999 > 21 24 O 0.87420022248267 0.82127125261097 0.07894389217385 15.999 > 21 25 O 0.12579977751733 0.17872874738903 0.07894389217385 15.999 > 25 26 O 0.62579977751733 0.17872874738903 0.07894389217385 15.999 > 25 27 O 0.12579977751733 0.67872874738903 0.07894389217385 15.999 > 25 28 O 0.62579977751733 0.67872874738903 0.07894389217385 15.999 > 25 29 O 0.17872874738903 0.12420022248267 0.32894389217385 15.999 > 29 30 O 0.67872874738903 0.12420022248267 0.32894389217385 15.999 > 29 31 O 0.17872874738903 0.62420022248267 0.32894389217385 15.999 > 29 32 O 0.67872874738903 0.62420022248267 0.32894389217385 15.999 > 29 33 O 0.32127125261097 0.12579977751733 0.92105610782615 15.999 > 1 34 O 0.82127125261097 0.12579977751733 0.92105610782615 15.999 > 1 35 O 0.32127125261097 0.62579977751733 0.92105610782615 15.999 > 1 36 O 0.82127125261097 0.62579977751733 0.92105610782615 15.999 > 1 37 O 0.12420022248267 0.32127125261097 0.67105610782615 15.999 > 5 38 O 0.62420022248267 0.32127125261097 0.67105610782615 15.999 > 5 39 O 0.12420022248267 0.82127125261097 0.67105610782615 15.999 > 5 40 O 0.62420022248267 0.82127125261097 0.67105610782615 15.999 > 5 41 O 0.37579977751733 0.17872874738903 0.67105610782615 15.999 > 9 42 O 0.87579977751733 0.17872874738903 0.67105610782615 15.999 > 9 43 O 0.37579977751733 0.67872874738903 0.67105610782615 15.999 > 9 44 O 0.87579977751733 0.67872874738903 0.67105610782615 15.999 > 9 45 O 0.17872874738903 0.37420022248267 0.92105610782615 15.999 > 13 46 O 0.67872874738903 0.37420022248267 0.92105610782615 15.999 > 13 47 O 0.17872874738903 0.87420022248267 0.92105610782615 15.999 > 13 48 O 0.67872874738903 0.87420022248267 0.92105610782615 15.999 > 13 49 O 0.07127125261097 0.12579977751733 0.82894389217385 15.999 > 17 50 O 0.57127125261097 0.12579977751733 0.82894389217385 15.999 > 17 51 O 0.07127125261097 0.62579977751733 0.82894389217385 15.999 > 17 52 O 0.57127125261097 0.62579977751733 0.82894389217385 15.999 > 17 53 O 0.12420022248267 0.07127125261097 0.57894389217385 15.999 > 21 54 O 0.62420022248267 0.07127125261097 0.57894389217385 15.999 > 21 55 O 0.12420022248267 0.57127125261097 0.57894389217385 15.999 > 21 56 O 0.62420022248267 0.57127125261097 0.57894389217385 15.999 > 21 57 O 0.37579977751733 0.42872874738903 0.57894389217385 15.999 > 25 58 O 0.87579977751733 0.42872874738903 0.57894389217385 15.999 > 25 59 O 0.37579977751733 0.92872874738903 0.57894389217385 15.999 > 25 60 O 0.87579977751733 0.92872874738903 0.57894389217385 15.999 > 25 61 O 0.42872874738903 0.37420022248267 0.82894389217385 15.999 > 29 62 O 0.92872874738903 0.37420022248267 0.82894389217385 15.999 > 29 63 O 0.42872874738903 0.87420022248267 0.82894389217385 15.999 > 29 64 O 0.92872874738903 0.87420022248267 0.82894389217385 15.999 > 29 65 As 0.25000000000000 0.25000000000000 0.00000000000000 74.922 > 65 66 As 0.75000000000000 0.25000000000000 0.00000000000000 74.922 > 65 67 As 0.25000000000000 0.75000000000000 0.00000000000000 74.922 > 65 68 As 0.75000000000000 0.75000000000000 0.00000000000000 74.922 > 65 69 As 0.25000000000000 0.00000000000000 0.25000000000000 74.922 > 69 70 As 0.75000000000000 0.00000000000000 0.25000000000000 74.922 > 69 71 As 0.25000000000000 0.50000000000000 0.25000000000000 74.922 > 69 72 As 0.75000000000000 0.50000000000000 0.25000000000000 74.922 > 69 73 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 65 74 As 0.50000000000000 0.00000000000000 0.50000000000000 74.922 > 65 75 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 > 65 76 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 65 77 As 0.00000000000000 0.25000000000000 0.75000000000000 74.922 > 69 78 As 0.50000000000000 0.25000000000000 0.75000000000000 74.922 > 69 79 As 0.00000000000000 0.75000000000000 0.75000000000000 74.922 > 69 80 As 0.50000000000000 0.75000000000000 0.75000000000000 74.922 > 69 81 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 81 82 Sm 0.50000000000000 0.00000000000000 0.00000000000000 150.360 > 81 83 Sm 0.00000000000000 0.50000000000000 0.00000000000000 150.360 > 81 84 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 81 85 Sm 0.00000000000000 0.25000000000000 0.25000000000000 150.360 > 85 86 Sm 0.50000000000000 0.25000000000000 0.25000000000000 150.360 > 85 87 Sm 0.00000000000000 0.75000000000000 0.25000000000000 150.360 > 85 88 Sm 0.50000000000000 0.75000000000000 0.25000000000000 150.360 > 85 89 Sm 0.25000000000000 0.25000000000000 0.50000000000000 150.360 > 81 90 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 > 81 91 Sm 0.25000000000000 0.75000000000000 0.50000000000000 150.360 > 81 92 Sm 0.75000000000000 0.75000000000000 0.50000000000000 150.360 > 81 93 Sm 0.25000000000000 0.00000000000000 0.75000000000000 150.360 > 85 94 Sm 0.75000000000000 0.00000000000000 0.75000000000000 150.360 > 85 95 Sm 0.25000000000000 0.50000000000000 0.75000000000000 150.360 > 85 96 Sm 0.75000000000000 0.50000000000000 0.75000000000000 150.360 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0829783 0.0000010 0.0000000 -0.0000010 4.0829783 0.0000000 0.0000000 0.0000000 3.9495604 -------------------------- Born effective charges -------------------------- 1 O -1.9104432 0.5102557 -0.0262569 0.5359150 -2.2357563 -0.5006184 0.0322274 -0.5423471 -1.9711407 2 O -2.2357563 -0.5359150 0.5006184 -0.5102557 -1.9104432 -0.0262569 0.5423471 0.0322274 -1.9711407 3 O -2.2357563 -0.5359150 -0.5006184 -0.5102557 -1.9104432 0.0262569 -0.5423471 -0.0322274 -1.9711407 4 O -1.9104432 0.5102557 0.0262569 0.5359150 -2.2357563 0.5006184 -0.0322274 0.5423471 -1.9711407 5 O -1.9104432 0.5102557 0.0262569 0.5359150 -2.2357563 0.5006184 -0.0322274 0.5423471 -1.9711407 6 O -2.2357563 -0.5359150 -0.5006184 -0.5102557 -1.9104432 0.0262569 -0.5423471 -0.0322274 -1.9711407 7 O -2.2357563 -0.5359150 0.5006184 -0.5102557 -1.9104432 -0.0262569 0.5423471 0.0322274 -1.9711407 8 O -1.9104432 0.5102557 -0.0262569 0.5359150 -2.2357563 -0.5006184 0.0322274 -0.5423471 -1.9711407 9 As 4.1116638 0.1082737 -0.0000000 -0.1082737 4.1116638 0.0000000 -0.0000000 0.0000000 3.7705334 10 As 4.1116638 0.1082737 -0.0000000 -0.1082737 4.1116638 0.0000000 -0.0000000 0.0000000 3.7705334 11 Sm 4.1807353 -0.0569551 -0.0000000 0.0569551 4.1807353 0.0000000 -0.0000000 0.0000000 4.1140294 12 Sm 4.1807353 -0.0569551 -0.0000000 0.0569551 4.1807353 0.0000000 -0.0000000 0.0000000 4.1140294 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000030 (xzx) 0.00000030 (xzx) 0.00000030 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 10 40 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 4 4 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/131) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 -0.000 -0.000) 0.000 3.632 ( 0.000 0.000 -0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 -0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.632 ( -0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 -0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 -0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 -0.000 0.000) 0.000 8.647 ( 0.000 0.000 -0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 -0.000) 0.000 10.447 ( -0.000 0.000 0.000) 0.000 11.164 ( 0.000 0.000 0.000) 0.000 11.415 ( 0.000 0.000 -0.000) 0.000 11.415 ( 0.000 0.000 -0.000) 0.000 12.906 ( 0.000 0.000 0.000) 0.000 12.906 ( 0.000 -0.000 -0.000) 0.000 13.901 ( 0.000 -0.000 0.000) 0.000 13.910 ( 0.000 0.000 0.000) 0.000 14.517 ( 0.000 0.000 0.000) 0.000 21.744 ( 0.000 0.000 0.000) 0.000 22.096 ( -0.000 0.000 -0.000) 0.000 22.096 ( 0.000 0.000 0.000) 0.000 22.270 ( 0.000 0.000 -0.000) 0.000 22.490 ( 0.000 0.000 0.000) 0.000 22.490 ( 0.000 -0.000 0.000) 0.000 23.582 ( 0.000 0.000 0.000) 0.000 23.834 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/131) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 0.000 0.000 0.000) 0.000 3.206 ( -0.000 -0.000 0.000) 0.000 3.270 ( -0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.807 ( -0.000 0.000 0.000) 0.000 4.838 ( 0.000 -0.000 -0.000) 0.000 4.840 ( -0.000 0.000 0.000) 0.000 5.226 ( -0.000 0.000 0.000) 0.000 5.413 ( -0.000 0.000 -0.000) 0.000 5.628 ( -0.000 0.000 0.000) 0.000 5.918 ( -0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.574 ( -0.000 0.000 -0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.190 ( -0.000 0.000 0.000) 0.000 8.470 ( -0.000 -0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 9.325 ( -0.000 0.000 0.000) 0.000 9.617 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 11.529 ( -0.000 -0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 12.073 ( -0.000 0.000 0.000) 0.000 13.092 ( 0.000 0.000 0.000) 0.000 13.360 ( 0.000 0.000 0.000) 0.000 13.403 ( -0.000 0.000 -0.000) 0.000 14.202 ( -0.000 0.000 -0.000) 0.000 14.246 ( 0.000 -0.000 0.000) 0.000 21.586 ( -0.000 -0.000 0.000) 0.000 21.595 ( 0.000 0.000 0.000) 0.000 22.406 ( 0.000 0.000 0.000) 0.000 22.479 ( -0.000 0.000 0.000) 0.000 22.955 ( -0.000 0.000 0.000) 0.000 23.753 ( -0.000 0.000 0.000) 0.000 23.808 ( 0.000 0.000 0.000) 0.000 24.979 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/131) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 6.779 -20.263 -4.178) 21.771 2.949 ( -4.681 -12.395 -1.081) 13.293 3.376 ( -1.948 7.499 7.579) 10.839 3.569 ( 2.690 4.811 -3.290) 6.419 3.816 ( -2.721 4.343 4.137) 6.587 4.515 ( -6.791 -21.506 -7.994) 23.927 4.833 ( 5.498 -6.196 1.473) 8.413 5.128 ( -3.416 3.949 1.342) 5.391 5.250 ( -5.170 -3.368 1.880) 6.450 5.703 ( -0.162 -7.460 2.426) 7.846 5.848 ( 5.163 0.286 1.811) 5.479 6.105 ( 6.697 -4.007 2.487) 8.191 6.827 ( 2.136 17.802 2.215) 18.066 6.968 ( -5.766 8.877 4.716) 11.588 7.230 ( 1.282 1.263 0.925) 2.024 8.236 ( 0.915 -12.261 -2.689) 12.585 8.790 ( 2.066 9.427 -6.765) 11.785 9.315 ( 0.396 -2.742 6.364) 6.941 9.514 ( -1.651 -6.123 0.052) 6.342 10.328 ( -0.763 6.223 -0.398) 6.282 11.096 ( -13.784 -7.145 -4.758) 16.238 12.011 ( 0.279 16.849 0.565) 16.860 12.168 ( 12.932 -1.863 -0.617) 13.080 13.092 ( -4.644 -1.039 0.316) 4.770 13.239 ( 4.698 -7.598 0.325) 8.939 13.419 ( 0.105 -1.172 6.094) 6.206 14.204 ( -11.555 10.744 -8.338) 17.846 14.288 ( 2.351 1.909 0.672) 3.103 21.458 ( -3.380 1.027 1.198) 3.730 21.924 ( 14.204 6.600 -1.353) 15.720 22.328 ( -6.808 0.219 -4.776) 8.319 22.445 ( -1.418 -2.068 1.483) 2.913 22.938 ( 1.713 -2.945 1.085) 3.576 23.746 ( -2.231 0.982 -1.323) 2.774 23.818 ( 2.479 -1.223 -0.569) 2.822 24.875 ( -7.546 -2.075 5.062) 9.321 ======================= Grid point 4 (4/131) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 39.869 -0.495 -0.000) 39.872 0.884 ( 22.720 22.608 -0.000) 32.052 1.779 ( 33.147 51.822 0.000) 61.516 3.595 ( -1.630 -2.175 -0.000) 2.718 3.803 ( 7.094 6.992 -0.000) 9.960 3.931 ( -1.259 -0.875 0.000) 1.533 4.770 ( 5.434 4.857 -0.000) 7.289 5.344 ( -3.082 -3.067 0.000) 4.349 5.501 ( -6.608 -4.347 0.000) 7.909 5.730 ( 5.701 3.198 -0.000) 6.536 6.138 ( -0.410 4.682 0.000) 4.700 6.334 ( -2.054 -4.177 -0.000) 4.654 7.038 ( 1.435 -2.750 -0.000) 3.102 7.406 ( 1.103 -0.846 -0.000) 1.390 7.710 ( -2.921 2.785 0.000) 4.036 8.296 ( -12.084 -14.584 -0.000) 18.940 8.639 ( -3.469 1.517 0.000) 3.786 9.215 ( 3.208 -0.974 -0.000) 3.352 9.344 ( 5.093 7.435 0.000) 9.012 10.431 ( -0.820 -0.748 0.000) 1.110 10.912 ( -12.607 -4.183 0.000) 13.283 11.655 ( 14.690 1.043 -0.000) 14.727 12.811 ( -1.859 -7.379 -0.000) 7.609 12.937 ( -1.762 4.425 0.000) 4.763 13.463 ( 2.288 0.146 -0.000) 2.293 13.869 ( -1.435 -1.662 -0.000) 2.196 13.877 ( -3.108 0.156 0.000) 3.111 14.436 ( -3.671 -4.233 -0.000) 5.603 21.722 ( -1.233 0.044 0.000) 1.234 22.040 ( 3.273 -8.223 -0.000) 8.851 22.313 ( -3.815 7.423 0.000) 8.346 22.436 ( -1.960 -2.842 -0.000) 3.453 22.569 ( 3.634 3.181 -0.000) 4.830 23.622 ( 1.790 1.702 -0.000) 2.470 23.813 ( -1.061 -0.923 0.000) 1.406 25.306 ( -3.356 -1.890 0.000) 3.851 ======================= Grid point 5 (5/131) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 34.137 -1.475 -0.000) 34.169 1.790 ( 23.208 22.723 -0.000) 32.480 3.253 ( 21.911 38.738 0.000) 44.505 3.481 ( -3.277 -4.301 -0.000) 5.407 3.900 ( -0.245 0.041 0.000) 0.248 3.962 ( -0.589 -3.376 -0.000) 3.427 5.072 ( 10.981 9.687 -0.000) 14.643 5.211 ( -4.791 -4.099 0.000) 6.305 5.376 ( 0.753 4.721 0.000) 4.781 5.932 ( -17.124 -7.207 0.000) 18.578 5.942 ( 8.631 3.031 -0.000) 9.147 6.156 ( -7.206 -7.289 -0.000) 10.249 7.047 ( 5.476 -13.559 -0.000) 14.623 7.452 ( 7.653 12.138 0.000) 14.349 7.633 ( -17.226 -20.665 -0.000) 26.903 7.891 ( 2.402 11.765 0.000) 12.008 8.531 ( -10.887 2.220 0.000) 11.111 9.282 ( 8.422 -4.780 -0.000) 9.684 9.600 ( 2.059 9.184 0.000) 9.412 10.401 ( -0.283 -0.383 -0.000) 0.477 10.584 ( -9.401 -6.594 0.000) 11.483 11.955 ( 13.578 0.614 -0.000) 13.592 12.566 ( -3.213 -11.530 -0.000) 11.969 12.974 ( -6.416 6.401 0.000) 9.063 13.488 ( 3.273 -4.283 -0.000) 5.390 13.792 ( -1.717 -2.584 -0.000) 3.102 13.833 ( -5.598 5.334 0.000) 7.732 14.232 ( -3.721 -7.880 -0.000) 8.715 21.733 ( -2.888 5.162 0.000) 5.915 21.922 ( 3.087 -9.708 -0.000) 10.187 22.341 ( 0.677 -4.177 -0.000) 4.231 22.391 ( -4.282 8.192 0.000) 9.244 22.710 ( 5.163 1.477 -0.000) 5.371 23.697 ( 2.159 1.484 -0.000) 2.620 23.765 ( -1.835 -0.786 0.000) 1.997 25.133 ( -7.589 -5.124 0.000) 9.157 ======================= Grid point 6 (6/131) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 3.808 -20.685 -7.746) 22.413 2.657 ( 6.751 -16.691 -9.040) 20.147 3.340 ( -6.098 -0.286 5.073) 7.937 3.556 ( -9.437 2.650 8.036) 12.675 3.970 ( 4.484 6.898 -2.532) 8.609 4.180 ( 12.062 -12.141 -15.267) 22.934 4.874 ( 5.510 -1.272 10.204) 11.666 5.051 ( -6.304 -1.654 2.454) 6.964 5.253 ( 0.752 4.220 11.047) 11.850 5.517 ( 5.578 -13.150 -3.156) 14.629 5.892 ( 0.322 -1.215 4.312) 4.492 6.188 ( 6.870 -3.134 1.157) 7.639 6.927 ( -9.409 2.347 5.923) 11.363 7.094 ( -15.696 16.843 4.141) 23.392 7.340 ( 12.220 0.545 4.335) 12.978 8.109 ( 4.952 -7.192 -5.250) 10.189 9.030 ( 3.420 9.454 -6.146) 11.783 9.152 ( -4.020 -7.484 10.683) 13.649 9.470 ( 2.849 -0.764 -7.111) 7.699 10.428 ( -2.275 6.307 2.366) 7.110 10.800 ( -7.486 0.281 -13.669) 15.587 12.065 ( -7.041 -1.476 4.112) 8.286 12.514 ( 6.455 8.664 -2.673) 11.130 12.938 ( -2.470 -2.056 -2.187) 3.887 13.136 ( 4.674 -11.705 5.978) 13.950 13.479 ( 3.664 1.460 8.853) 9.691 14.147 ( -14.523 9.645 -6.210) 18.507 14.397 ( -2.071 8.135 -6.000) 10.318 21.462 ( -0.831 2.569 4.200) 4.993 22.085 ( -4.877 -3.292 0.066) 5.884 22.350 ( -2.482 -2.622 1.638) 3.965 22.413 ( 7.117 7.685 -6.864) 12.523 22.958 ( 5.984 -0.843 -5.192) 7.967 23.707 ( -1.552 -0.786 -0.500) 1.811 23.842 ( 1.349 -0.580 -2.135) 2.591 24.674 ( -8.045 0.055 10.750) 13.427 ======================= Grid point 7 (7/131) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 13.429 -5.175 -18.062) 23.094 2.599 ( 17.942 -13.506 -12.101) 25.510 3.331 ( -1.016 5.922 4.916) 7.763 3.458 ( -4.357 3.897 6.707) 8.897 4.095 ( -2.268 -0.664 -3.858) 4.524 4.347 ( 15.480 -1.576 -13.355) 20.506 4.935 ( 3.815 -3.559 9.285) 10.651 5.008 ( 1.740 6.278 15.755) 17.049 5.299 ( -1.425 1.946 4.420) 5.036 5.439 ( 9.464 -11.199 -1.953) 14.792 5.858 ( 0.466 -2.780 4.514) 5.322 6.184 ( 2.683 -6.219 0.045) 6.773 6.741 ( -9.336 -0.660 3.390) 9.954 7.038 ( -14.921 10.941 4.007) 18.931 7.544 ( 1.108 1.576 1.448) 2.410 8.133 ( 9.557 -3.940 0.371) 10.344 8.947 ( -6.392 -2.601 6.633) 9.572 9.261 ( 4.256 4.236 -0.914) 6.074 9.510 ( 3.452 -1.895 -9.319) 10.117 10.503 ( -6.208 7.402 -2.110) 9.889 10.829 ( 3.313 8.118 -12.102) 14.944 11.782 ( -9.888 -5.684 5.097) 12.492 12.517 ( -5.483 -5.776 -5.887) 9.904 12.991 ( 5.262 -1.671 6.334) 8.402 13.153 ( 7.778 3.082 1.508) 8.501 13.522 ( 1.621 -3.122 9.227) 9.875 14.039 ( -12.844 8.304 -3.482) 15.686 14.484 ( -6.152 7.568 -9.177) 13.392 21.490 ( -1.913 2.558 5.210) 6.111 21.911 ( -1.501 -7.021 1.621) 7.361 22.282 ( -3.016 2.677 -0.559) 4.072 22.548 ( 0.185 0.127 -0.807) 0.838 23.074 ( 3.725 -2.233 -14.898) 15.518 23.671 ( -0.335 -0.100 0.461) 0.579 23.864 ( 1.284 0.147 -2.349) 2.681 24.658 ( -0.431 7.471 14.311) 16.149 ======================= Grid point 8 (8/131) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 25.047 -1.123 -0.000) 25.072 2.671 ( 21.744 20.075 -0.000) 29.594 3.303 ( -4.545 -5.463 -0.000) 7.106 3.642 ( -9.500 -14.377 -0.000) 17.232 3.832 ( 2.072 -1.956 -0.000) 2.849 4.102 ( -2.375 14.020 0.000) 14.220 5.009 ( -5.410 -4.880 0.000) 7.286 5.326 ( -18.785 -7.840 0.000) 20.356 5.580 ( 17.764 9.578 -0.000) 20.181 5.693 ( 7.467 13.651 0.000) 15.560 5.875 ( -7.556 -2.711 0.000) 8.028 6.161 ( 9.919 -0.172 -0.000) 9.920 6.843 ( -1.558 -9.165 -0.000) 9.297 6.904 ( -15.236 -17.832 -0.000) 23.454 7.835 ( 13.471 -2.286 -0.000) 13.664 8.287 ( 2.650 23.000 0.000) 23.152 8.336 ( -14.073 4.051 0.000) 14.644 9.308 ( 8.972 -11.120 -0.000) 14.289 9.727 ( -5.302 6.722 0.000) 8.562 10.264 ( -3.185 -12.484 -0.000) 12.884 10.477 ( 2.142 7.328 0.000) 7.635 12.213 ( 11.785 0.387 -0.000) 11.792 12.254 ( -5.894 -10.679 -0.000) 12.197 12.919 ( -9.694 4.794 0.000) 10.815 13.434 ( 2.458 -5.589 -0.000) 6.105 13.687 ( -4.653 -2.808 0.000) 5.434 13.869 ( -5.981 8.974 0.000) 10.784 14.042 ( 3.025 -8.863 -0.000) 9.365 21.764 ( -8.813 8.223 0.000) 12.053 21.792 ( 2.909 -9.060 -0.000) 9.516 22.357 ( 7.254 -1.618 -0.000) 7.432 22.456 ( -4.308 6.789 0.000) 8.041 22.838 ( 8.672 -1.070 -0.000) 8.737 23.722 ( -2.360 0.824 0.000) 2.500 23.755 ( 2.094 0.108 -0.000) 2.097 24.794 ( -12.436 -9.104 0.000) 15.412 ======================= Grid point 9 (9/131) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 14.244 1.885 -0.000) 14.368 3.016 ( -2.188 -11.190 -0.000) 11.402 3.166 ( -7.871 -7.164 0.000) 10.643 3.495 ( 14.827 14.876 0.000) 21.003 3.550 ( -15.904 -14.556 0.000) 21.559 4.036 ( -4.097 1.328 0.000) 4.307 4.833 ( -3.754 -2.716 0.000) 4.634 5.046 ( -7.118 -3.464 0.000) 7.916 5.761 ( 4.914 1.419 -0.000) 5.115 6.075 ( 4.604 11.260 0.000) 12.165 6.139 ( 8.176 11.909 0.000) 14.446 6.239 ( 3.521 -11.116 -0.000) 11.660 6.461 ( -3.262 -2.962 0.000) 4.406 6.622 ( -6.523 -4.855 0.000) 8.131 7.961 ( 11.526 -7.261 -0.000) 13.622 8.164 ( -13.724 6.615 0.000) 15.235 8.720 ( -0.755 16.565 0.000) 16.583 9.172 ( 4.305 -15.144 -0.000) 15.744 9.719 ( -5.401 5.276 0.000) 7.551 9.963 ( -1.985 -11.572 -0.000) 11.741 10.829 ( 12.341 12.816 0.000) 17.792 11.885 ( -11.936 -9.845 0.000) 15.473 12.450 ( 11.300 0.614 -0.000) 11.316 12.816 ( -8.530 3.109 0.000) 9.079 13.391 ( 1.142 -2.381 -0.000) 2.641 13.505 ( -4.842 -4.203 0.000) 6.412 13.926 ( -6.027 8.631 0.000) 10.527 13.994 ( 6.680 -7.413 -0.000) 9.979 21.693 ( 3.938 -7.478 -0.000) 8.452 21.711 ( -9.785 6.204 0.000) 11.586 22.478 ( 4.119 -0.240 -0.000) 4.126 22.489 ( -3.625 4.734 0.000) 5.962 23.102 ( 17.758 2.874 -0.000) 17.989 23.702 ( -3.655 2.732 0.000) 4.563 23.786 ( 2.206 -1.107 -0.000) 2.469 24.298 ( -16.074 -11.535 0.000) 19.785 ======================= Grid point 10 (10/131) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 19.594 0.729 -14.082) 24.140 2.851 ( 19.162 1.654 -11.512) 22.415 3.347 ( -4.147 2.435 4.362) 6.493 3.525 ( -4.752 1.240 1.185) 5.052 3.918 ( -6.815 -0.719 1.363) 6.987 4.640 ( 10.356 2.683 -4.377) 11.559 4.964 ( 6.507 -12.071 8.284) 16.021 5.138 ( 0.909 6.239 9.887) 11.726 5.363 ( 0.438 6.215 -2.273) 6.632 5.493 ( 7.565 1.410 1.831) 7.910 5.837 ( 6.541 -5.098 2.085) 8.551 6.103 ( 1.564 -5.908 -0.340) 6.121 6.575 ( -7.856 2.724 -0.622) 8.338 6.955 ( -11.421 7.371 2.607) 13.841 7.408 ( -8.279 -5.611 -3.447) 10.578 8.310 ( 12.818 -2.606 4.760) 13.919 8.761 ( -10.030 -0.523 3.458) 10.622 9.340 ( 1.303 -1.181 2.068) 2.715 9.557 ( 4.696 -0.919 -6.546) 8.108 10.387 ( -9.040 -0.771 -4.591) 10.168 11.227 ( 7.365 16.132 -3.870) 18.152 11.597 ( -2.747 -0.021 2.911) 4.002 12.253 ( -4.481 -9.104 -4.593) 11.138 13.057 ( 2.622 0.654 2.638) 3.776 13.353 ( 5.810 0.428 0.706) 5.868 13.432 ( -1.722 -4.366 7.389) 8.753 14.038 ( -4.247 9.646 1.165) 10.604 14.424 ( -7.938 0.612 -9.089) 12.083 21.508 ( -3.146 5.250 2.435) 6.587 21.741 ( 1.564 -10.122 2.221) 10.481 22.341 ( -0.845 5.806 0.085) 5.868 22.513 ( -1.077 -1.534 -0.033) 1.874 23.011 ( -0.235 -4.668 -9.638) 10.712 23.701 ( 0.782 2.166 0.793) 2.435 23.857 ( -0.333 -2.030 -2.118) 2.952 24.866 ( 2.543 7.950 8.612) 11.993 ======================= Grid point 13 (11/131) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -4.185 -7.841 -0.000) 8.889 2.754 ( 4.185 7.841 0.000) 8.889 3.073 ( -5.142 -4.770 0.000) 7.014 3.073 ( 5.142 4.770 -0.000) 7.014 3.946 ( -5.123 -6.793 -0.000) 8.508 3.946 ( 5.123 6.793 0.000) 8.508 4.825 ( -4.529 -2.818 0.000) 5.334 4.825 ( 4.529 2.818 -0.000) 5.334 5.980 ( -4.542 -8.556 -0.000) 9.687 5.980 ( 4.542 8.556 0.000) 9.687 6.319 ( 0.883 -6.029 -0.000) 6.093 6.319 ( -0.883 6.029 0.000) 6.093 6.457 ( 5.776 -3.870 -0.000) 6.953 6.457 ( -5.776 3.870 0.000) 6.953 8.049 ( 12.737 -7.849 -0.000) 14.962 8.049 ( -12.737 7.849 0.000) 14.962 8.953 ( 2.683 -12.944 -0.000) 13.220 8.953 ( -2.683 12.944 0.000) 13.220 9.769 ( 0.887 -6.706 -0.000) 6.764 9.769 ( -0.887 6.706 0.000) 6.764 11.383 ( -15.868 -12.482 0.000) 20.189 11.383 ( 15.868 12.482 -0.000) 20.189 12.672 ( -10.400 0.654 0.000) 10.420 12.672 ( 10.400 -0.654 -0.000) 10.420 13.392 ( -0.699 -1.426 -0.000) 1.588 13.392 ( 0.699 1.426 0.000) 1.588 13.971 ( 5.971 -7.796 -0.000) 9.820 13.971 ( -5.971 7.796 0.000) 9.820 21.663 ( 6.681 -6.009 -0.000) 8.986 21.663 ( -6.681 6.009 0.000) 8.986 22.504 ( 2.545 -2.803 -0.000) 3.786 22.504 ( -2.545 2.803 0.000) 3.786 23.569 ( -16.328 -3.457 0.000) 16.690 23.569 ( 16.328 3.457 -0.000) 16.690 23.846 ( -6.349 -3.492 0.000) 7.246 23.846 ( 6.349 3.492 -0.000) 7.246 ======================= Grid point 23 (12/131) ======================= q-point: (-0.23 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 2.436 -27.252 -10.055) 29.150 1.620 ( 16.472 -29.973 -16.218) 37.851 2.656 ( -11.456 -47.134 -23.037) 53.698 3.648 ( -0.440 -2.597 3.972) 4.766 3.745 ( 2.041 -5.891 6.962) 9.346 3.971 ( -1.090 2.976 -4.424) 5.442 4.824 ( -0.783 -6.014 3.371) 6.939 5.211 ( -0.052 -4.401 8.373) 9.459 5.419 ( -3.083 6.970 0.271) 7.626 5.574 ( 3.647 -2.187 10.294) 11.137 5.913 ( -0.278 -3.117 7.164) 7.818 6.159 ( 0.053 5.820 7.444) 9.449 6.934 ( 4.116 6.300 -1.989) 7.784 7.436 ( -1.430 -1.703 6.864) 7.216 7.768 ( -3.356 -10.284 2.019) 11.005 8.024 ( 0.573 20.157 3.058) 20.395 9.004 ( -3.895 15.200 -21.617) 26.711 9.213 ( 6.209 -1.359 0.338) 6.365 9.344 ( -3.507 -9.687 7.700) 12.862 10.530 ( -0.408 4.812 -10.956) 11.973 11.091 ( -12.065 -0.938 2.485) 12.354 11.589 ( 17.524 -4.893 -3.915) 18.611 12.639 ( 2.019 11.899 1.486) 12.161 12.896 ( -0.566 -16.458 19.367) 25.422 13.033 ( -3.635 -5.585 -0.037) 6.664 13.713 ( -0.395 2.845 9.433) 9.861 14.407 ( 2.780 10.481 -8.542) 13.804 14.524 ( -2.389 15.117 -23.092) 27.703 21.689 ( -2.574 4.732 -0.422) 5.403 21.946 ( 9.195 6.208 0.630) 11.112 22.354 ( -5.468 -0.256 -2.433) 5.990 22.486 ( -2.094 0.288 -0.526) 2.178 22.630 ( 0.893 -4.995 -5.291) 7.331 23.671 ( 0.480 -2.713 -1.451) 3.114 23.803 ( -0.402 1.148 -0.305) 1.254 25.072 ( -0.782 -6.947 18.643) 19.910 ======================= Grid point 24 (13/131) ======================= q-point: ( 0.28 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -4.580 28.573 3.750) 29.180 2.197 ( -15.965 28.108 13.212) 34.921 3.458 ( 8.188 22.128 2.675) 23.746 3.725 ( -0.904 2.256 2.991) 3.853 3.788 ( 3.550 9.608 -0.483) 10.255 3.967 ( 0.166 3.274 0.424) 3.305 4.918 ( 3.136 3.509 -6.308) 7.870 5.232 ( 2.038 -3.201 2.293) 4.434 5.293 ( 1.024 -2.535 0.153) 2.739 5.691 ( -4.495 8.817 -12.493) 15.938 5.923 ( -0.044 -4.997 -3.579) 6.147 6.105 ( 0.465 2.621 -7.649) 8.099 6.796 ( -8.187 -7.269 2.602) 11.254 7.358 ( 1.517 -9.268 -4.906) 10.596 7.589 ( 0.675 -21.525 0.783) 21.550 8.005 ( 4.243 12.884 -0.340) 13.569 8.779 ( 6.767 -9.134 14.659) 18.550 9.228 ( -6.724 -0.229 -0.013) 6.728 9.572 ( 2.533 12.743 -10.903) 16.961 10.406 ( 0.802 -7.507 7.172) 10.413 11.164 ( 10.325 6.453 -2.390) 12.408 11.691 ( -18.476 5.171 3.844) 19.567 12.342 ( -1.326 -16.707 0.532) 16.768 13.115 ( -0.933 6.271 -9.830) 11.697 13.150 ( 5.264 5.643 -0.321) 7.724 13.640 ( 0.967 -4.225 -7.472) 8.638 14.210 ( -1.111 -7.169 13.239) 15.097 14.336 ( 0.413 -6.717 6.714) 9.506 21.618 ( 4.765 -2.641 -0.981) 5.535 21.815 ( -9.030 -6.767 -0.978) 11.326 22.368 ( 4.513 1.055 0.657) 4.681 22.484 ( 1.814 0.032 0.192) 1.824 22.731 ( -2.181 5.127 5.824) 8.060 23.724 ( -1.351 2.406 0.654) 2.836 23.781 ( 1.401 -0.924 0.941) 1.924 25.132 ( 1.149 0.120 -10.824) 10.886 ======================= Grid point 25 (14/131) ======================= q-point: ( 0.28 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -9.722 24.571 8.019) 27.615 2.629 ( 3.853 24.425 7.869) 25.949 3.465 ( -4.045 -7.611 -5.040) 9.985 3.567 ( -0.636 -6.334 -3.764) 7.395 3.896 ( -3.993 -4.843 3.481) 7.177 4.512 ( 4.790 18.433 5.295) 19.768 5.104 ( -3.825 -2.746 6.834) 8.299 5.136 ( 8.442 2.621 -4.628) 9.978 5.400 ( 5.479 2.167 -3.064) 6.641 5.679 ( -6.968 3.119 -12.863) 14.958 5.930 ( 2.417 3.549 -4.501) 6.221 6.092 ( -2.954 -1.568 0.448) 3.374 6.553 ( 0.373 -7.747 0.953) 7.815 6.988 ( -8.559 -16.452 -0.152) 18.546 7.358 ( 6.663 -6.904 1.652) 9.736 8.379 ( 4.698 12.726 -2.223) 13.746 8.768 ( 8.073 -7.916 4.917) 12.329 9.101 ( -4.967 0.061 8.348) 9.714 9.786 ( -1.552 5.877 -13.719) 15.005 10.262 ( -0.101 -6.556 5.651) 8.656 11.153 ( -20.778 7.737 3.080) 22.385 11.703 ( 6.724 2.084 -6.102) 9.316 12.119 ( 5.750 -6.641 6.836) 11.131 13.132 ( 1.274 -2.119 -3.721) 4.468 13.353 ( 0.534 4.770 0.443) 4.820 13.573 ( 2.827 -4.994 -4.987) 7.603 14.066 ( -9.609 0.154 -1.108) 9.674 14.208 ( 0.272 -3.143 9.374) 9.891 21.566 ( -3.425 -5.036 -2.402) 6.547 21.788 ( 11.890 2.197 -1.834) 12.230 22.363 ( -6.288 1.179 -1.921) 6.680 22.515 ( 1.642 -1.006 -0.367) 1.960 22.788 ( 0.379 2.009 9.786) 9.997 23.725 ( -1.334 1.384 -1.370) 2.361 23.812 ( 1.419 0.473 1.959) 2.464 25.039 ( -6.956 -3.770 -6.295) 10.110 ======================= Grid point 26 (15/131) ======================= q-point: (-0.23 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 12.702 -15.669 -19.222) 27.863 1.203 ( 9.894 -26.358 -20.619) 34.896 2.146 ( 38.753 -28.054 -30.184) 56.568 3.547 ( -1.531 1.314 4.585) 5.009 3.724 ( 5.948 -6.432 6.785) 11.081 4.006 ( -0.841 1.366 -6.462) 6.658 4.748 ( 4.871 -4.609 2.120) 7.033 5.132 ( 7.689 -7.963 15.717) 19.224 5.447 ( -4.638 6.570 4.171) 9.059 5.608 ( -0.587 -1.395 5.526) 5.730 5.948 ( 4.673 -3.982 10.905) 12.514 6.232 ( -3.041 2.921 8.247) 9.262 7.050 ( -3.416 -1.824 -0.545) 3.911 7.332 ( 2.946 0.130 4.363) 5.266 7.620 ( 8.465 -5.964 3.932) 11.076 8.241 ( -11.642 11.496 5.498) 17.260 9.134 ( -2.211 0.901 1.860) 3.027 9.253 ( -6.351 7.590 -11.287) 15.011 9.290 ( -3.890 4.690 -13.135) 14.479 10.585 ( -1.615 1.577 -13.685) 13.870 10.913 ( -3.965 12.326 0.256) 12.951 11.688 ( 0.484 -14.532 -2.785) 14.805 12.612 ( 22.793 -20.009 29.070) 42.011 12.819 ( -6.884 2.296 -0.523) 7.276 12.947 ( 4.087 1.118 -0.534) 4.271 13.741 ( -0.942 1.131 10.827) 10.927 14.501 ( -5.473 4.209 -5.632) 8.910 14.769 ( -19.769 20.709 -30.435) 41.785 21.747 ( -4.146 6.282 -1.447) 7.664 22.045 ( -7.542 -3.903 0.051) 8.492 22.379 ( 4.241 3.227 -4.721) 7.119 22.453 ( -0.521 3.191 -2.132) 3.873 22.594 ( 3.616 -4.329 -2.846) 6.318 23.637 ( 1.255 -1.578 -1.465) 2.492 23.815 ( -0.472 0.664 0.162) 0.830 24.920 ( 9.835 -9.164 24.510) 27.954 ======================= Grid point 28 (16/131) ======================= q-point: ( 0.28 -0.03 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -3.853 19.182 8.628) 21.383 2.931 ( -1.529 -7.290 2.343) 7.809 3.266 ( -1.310 -1.951 -3.669) 4.357 3.585 ( 1.767 11.753 -3.107) 12.284 3.686 ( -3.256 -7.238 5.209) 9.494 4.465 ( -13.896 -7.695 1.099) 15.922 4.924 ( -3.411 -3.633 5.843) 7.680 5.194 ( -5.699 -2.728 -5.429) 8.330 5.461 ( 9.667 -11.038 -6.787) 16.166 5.719 ( -1.641 9.914 -1.002) 10.098 6.030 ( 7.285 -3.232 -1.870) 8.186 6.206 ( 5.044 4.659 3.414) 7.669 6.494 ( 1.924 -0.469 0.723) 2.108 6.643 ( -7.372 0.569 2.727) 7.881 7.413 ( 9.146 -5.709 0.756) 10.808 8.552 ( 1.024 -1.311 -6.196) 6.416 8.778 ( 0.957 -0.887 -2.337) 2.676 9.073 ( 0.317 1.221 14.945) 14.998 9.764 ( -1.846 -1.423 -12.503) 12.719 10.184 ( -1.508 -0.117 6.355) 6.532 10.925 ( -12.416 5.410 -0.574) 13.555 11.825 ( 0.827 2.551 -4.341) 5.102 12.267 ( 7.117 4.597 4.988) 9.832 13.113 ( -0.012 -2.395 -3.814) 4.504 13.322 ( -0.395 -1.335 3.889) 4.131 13.560 ( 3.607 -9.608 -1.317) 10.347 13.864 ( -13.313 7.047 -2.418) 15.256 14.227 ( -0.355 3.182 2.569) 4.105 21.445 ( 0.018 -3.957 -0.840) 4.045 22.133 ( 9.079 0.312 -0.358) 9.091 22.248 ( -5.109 8.025 -5.839) 11.163 22.491 ( 1.049 -3.421 -1.541) 3.896 22.837 ( 2.788 1.439 10.643) 11.096 23.729 ( -0.788 0.698 -1.499) 1.832 23.854 ( 0.949 1.669 0.983) 2.157 24.724 ( -14.028 -6.290 -2.585) 15.589 ======================= Grid point 29 (17/131) ======================= q-point: (-0.72 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -1.248 -6.948 -0.210) 7.062 2.861 ( 1.244 10.342 7.352) 12.750 3.197 ( 0.047 -2.664 -3.609) 4.486 3.358 ( -11.317 -5.698 -1.469) 12.755 3.963 ( 3.846 4.771 -3.341) 6.980 4.214 ( -5.983 13.537 1.951) 14.928 4.805 ( -3.157 -3.021 5.823) 7.281 4.962 ( -8.042 -4.638 -1.674) 9.433 5.404 ( 14.788 -15.910 0.549) 21.729 5.895 ( 2.384 3.236 1.416) 4.261 6.075 ( 10.138 -8.330 -4.972) 14.032 6.271 ( 1.136 -1.437 2.974) 3.493 6.568 ( -3.633 5.899 0.843) 6.979 6.610 ( -4.527 3.374 3.706) 6.754 7.497 ( 9.638 -3.777 2.012) 10.545 8.475 ( 1.089 -6.793 -8.065) 10.601 8.749 ( -6.970 3.587 5.725) 9.707 9.100 ( 2.462 -0.258 6.055) 6.541 9.761 ( 0.868 2.487 -11.600) 11.896 10.162 ( -5.396 5.009 5.681) 9.300 10.940 ( 3.446 4.165 -7.025) 8.864 11.744 ( -10.453 -2.442 4.669) 11.706 12.527 ( 4.561 9.377 -1.373) 10.517 13.032 ( -2.813 -2.378 -5.384) 6.523 13.314 ( -1.291 -10.613 1.924) 10.863 13.382 ( 4.057 0.516 7.487) 8.531 13.818 ( -7.624 5.566 -2.533) 9.773 14.292 ( -2.709 6.416 -1.463) 7.117 21.398 ( 1.700 -2.832 1.691) 3.710 22.015 ( -6.905 -0.413 -0.159) 6.920 22.360 ( 0.140 -4.394 1.210) 4.559 22.544 ( 2.245 2.344 -4.615) 5.642 23.105 ( 13.554 10.262 0.726) 17.016 23.723 ( 0.502 -0.359 -0.977) 1.156 23.900 ( -0.327 1.196 -1.144) 1.687 24.290 ( -16.763 -4.150 3.344) 17.589 ======================= Grid point 30 (18/131) ======================= q-point: (-0.23 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 28.730 9.703 -2.491) 30.426 2.437 ( 27.384 2.892 -6.288) 28.245 3.430 ( 21.389 8.162 -8.413) 24.390 3.618 ( 11.576 -6.017 -5.805) 14.280 3.844 ( -5.450 4.464 4.500) 8.359 3.931 ( 1.912 -4.298 2.240) 5.211 4.938 ( 1.210 5.681 6.498) 8.716 5.171 ( -3.898 -3.830 -0.428) 5.482 5.299 ( -0.691 2.189 -0.601) 2.373 5.688 ( 5.378 -4.523 11.402) 13.394 6.001 ( -4.959 4.859 1.163) 7.039 6.079 ( 2.297 -0.841 4.404) 5.037 7.070 ( -2.003 16.795 1.507) 16.981 7.257 ( -6.572 -6.644 4.568) 10.402 7.477 ( -19.651 -10.597 3.258) 22.563 7.964 ( 9.622 0.343 -1.463) 9.739 8.665 ( -9.760 -4.032 -19.600) 22.264 9.364 ( -0.937 7.025 2.903) 7.659 9.509 ( 13.070 -4.215 10.408) 17.232 10.390 ( -6.800 -0.365 -5.814) 8.954 10.878 ( 7.179 -15.306 -1.071) 16.940 12.042 ( 6.046 12.407 -1.378) 13.871 12.390 ( -17.878 3.390 0.385) 18.201 13.007 ( 4.607 -7.319 -0.744) 8.680 13.203 ( 6.678 6.409 10.901) 14.300 13.622 ( -4.575 -0.506 6.741) 8.163 14.141 ( -9.908 -7.431 -17.553) 21.482 14.317 ( -2.826 -1.660 -1.718) 3.701 21.555 ( -4.300 -1.313 2.010) 4.925 22.047 ( -7.189 13.067 -0.462) 14.921 22.222 ( 1.234 -8.670 -3.669) 9.495 22.439 ( 1.635 -2.711 1.035) 3.331 22.801 ( 6.199 3.904 -2.849) 7.861 23.730 ( 1.684 -1.085 -0.329) 2.030 23.771 ( -0.414 0.784 -1.548) 1.785 25.047 ( -1.427 -6.805 9.279) 11.595 ======================= Grid point 31 (19/131) ======================= q-point: (-0.23 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 23.848 -1.906 2.261) 24.030 2.863 ( 16.919 5.693 -2.615) 18.041 3.403 ( -1.309 -7.855 0.287) 7.969 3.584 ( -11.725 -7.864 8.813) 16.643 3.837 ( -3.872 4.723 -1.572) 6.306 4.187 ( 14.881 -7.564 -7.683) 18.376 4.959 ( -6.540 5.102 0.148) 8.296 4.980 ( -5.585 -3.629 -1.975) 6.947 5.424 ( 0.657 7.772 7.761) 11.003 5.739 ( 1.647 4.176 -3.330) 5.590 5.967 ( 8.891 -3.484 4.611) 10.605 6.250 ( 4.578 6.620 -0.298) 8.054 6.801 ( -17.734 -8.939 2.939) 20.075 6.882 ( -11.796 -8.955 0.812) 14.833 7.563 ( 3.105 14.575 12.069) 19.177 8.178 ( 10.361 0.988 -3.018) 10.837 8.482 ( -7.325 2.729 -21.123) 22.523 9.418 ( -5.511 4.340 3.173) 7.699 9.639 ( 12.130 -7.952 9.683) 17.440 10.328 ( -1.977 2.810 -1.461) 3.733 10.731 ( 8.320 -14.249 -2.583) 16.701 12.029 ( -16.865 -0.475 1.833) 16.971 12.368 ( 4.181 7.080 -0.377) 8.230 12.935 ( 2.976 -6.794 -1.956) 7.671 13.414 ( 1.563 5.956 2.869) 6.794 13.552 ( -4.005 2.323 4.211) 6.259 13.799 ( -6.766 -9.208 -7.479) 13.657 14.273 ( 2.981 -3.766 -0.739) 4.859 21.473 ( -4.306 1.657 1.918) 4.996 22.058 ( -2.428 -5.270 -5.192) 7.786 22.172 ( -3.227 8.663 0.440) 9.256 22.465 ( 3.648 -0.325 1.461) 3.943 23.014 ( 8.529 3.519 0.068) 9.226 23.690 ( -1.371 -1.153 -0.670) 1.912 23.826 ( 2.669 0.471 -1.198) 2.963 24.765 ( -6.903 -13.061 3.793) 15.252 ======================= Grid point 32 (20/131) ======================= q-point: (-0.72 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 8.933 4.394 -6.684) 11.991 3.066 ( 4.061 6.299 3.160) 8.133 3.199 ( -1.451 1.987 -3.070) 3.934 3.254 ( 4.572 4.593 -2.226) 6.852 3.961 ( -8.165 0.088 4.066) 9.122 4.346 ( -12.606 10.452 -7.625) 18.064 4.778 ( -0.312 -1.797 6.439) 6.692 4.842 ( 5.641 5.830 4.880) 9.467 5.440 ( 13.927 -11.625 2.223) 18.277 5.814 ( 1.552 -12.386 -1.469) 12.569 6.157 ( 9.425 -4.717 -3.811) 11.207 6.314 ( 3.491 1.314 1.784) 4.135 6.511 ( -5.725 -0.013 2.948) 6.439 6.570 ( -6.402 3.865 0.902) 7.532 7.627 ( 7.095 -1.699 -0.769) 7.336 8.362 ( 2.186 -6.837 -1.795) 7.399 8.627 ( -10.234 1.365 6.379) 12.137 9.196 ( 5.385 1.115 4.569) 7.150 9.837 ( -2.986 5.325 -11.764) 13.254 10.238 ( -2.164 10.976 1.356) 11.269 11.045 ( -2.456 -3.117 -9.526) 10.319 11.484 ( -1.794 -0.495 8.828) 9.022 12.689 ( -3.599 -0.705 -6.420) 7.393 12.909 ( -2.022 1.598 3.322) 4.204 13.263 ( 7.441 -1.296 0.065) 7.554 13.458 ( 3.169 -0.989 6.857) 7.619 13.743 ( -7.082 2.535 -1.585) 7.687 14.360 ( -4.974 7.376 -2.929) 9.366 21.388 ( 2.037 -2.063 2.408) 3.769 21.936 ( -1.456 1.066 1.238) 2.188 22.252 ( -0.012 -5.540 0.661) 5.580 22.563 ( -0.969 -0.160 -1.002) 1.403 23.438 ( -0.671 0.141 -11.311) 11.331 23.679 ( -2.981 -3.657 0.003) 4.718 23.904 ( 0.332 2.364 -1.631) 2.891 24.156 ( 1.202 12.809 10.432) 16.563 ======================= Grid point 33 (21/131) ======================= q-point: ( 0.28 -0.03 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -0.528 10.472 -4.693) 11.488 3.142 ( -7.029 -8.074 -5.832) 12.190 3.338 ( 7.415 5.064 -7.374) 11.619 3.398 ( 0.497 4.582 0.813) 4.680 3.771 ( 0.429 -1.739 6.270) 6.521 4.405 ( -7.682 18.435 0.868) 19.991 4.867 ( 5.176 4.539 5.822) 9.016 4.945 ( -3.184 -7.126 6.143) 9.933 5.405 ( 3.068 -4.957 -5.469) 7.993 5.672 ( 5.120 -6.914 1.934) 8.818 6.191 ( -5.987 -0.108 -5.627) 8.217 6.283 ( 1.488 -8.189 -0.593) 8.344 6.515 ( 8.794 1.967 -1.020) 9.069 6.672 ( 5.950 9.082 1.893) 11.021 7.605 ( -1.138 -8.625 -10.473) 13.615 8.342 ( 6.742 -4.522 16.618) 18.495 8.413 ( -12.682 1.632 2.369) 13.004 9.299 ( 6.048 -3.035 2.364) 7.167 9.847 ( -7.833 6.635 -12.541) 16.207 10.329 ( -2.191 -1.736 0.016) 2.795 10.914 ( -9.809 13.165 -0.055) 16.418 11.683 ( 15.675 -0.044 0.989) 15.707 12.466 ( -4.884 -8.786 -2.900) 10.462 12.985 ( -1.514 6.489 1.702) 6.877 13.363 ( 4.925 -7.177 3.025) 9.215 13.496 ( 3.739 0.038 -0.070) 3.740 13.737 ( -1.701 8.618 1.941) 8.996 14.365 ( -6.023 4.168 -2.356) 7.694 21.405 ( 2.382 -0.235 0.608) 2.469 21.956 ( 5.657 -5.662 3.346) 8.675 22.181 ( -2.224 2.171 -0.251) 3.118 22.521 ( -2.004 -0.846 -0.912) 2.359 23.194 ( -9.293 -5.834 -4.354) 11.805 23.664 ( 1.031 1.227 0.975) 1.875 23.883 ( -2.940 -0.440 -0.184) 2.978 24.613 ( 8.478 15.458 1.297) 17.678 ======================= Grid point 34 (22/131) ======================= q-point: (-0.23 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 1.624 -7.216 1.915) 7.640 3.154 ( -3.604 -8.807 -1.873) 9.699 3.215 ( -4.282 -8.464 6.527) 11.514 3.316 ( 1.391 -1.183 6.721) 6.965 3.799 ( 2.800 0.314 -9.348) 9.763 4.114 ( 9.828 -8.673 2.612) 13.365 4.802 ( -3.328 -1.906 -3.585) 5.250 4.968 ( -5.213 -2.854 -0.843) 6.002 5.612 ( -2.789 12.922 -0.928) 13.252 5.849 ( -2.780 10.724 2.121) 11.280 6.214 ( 8.960 2.857 2.027) 9.620 6.374 ( -7.231 -2.886 0.525) 7.803 6.466 ( 4.685 -1.195 0.240) 4.841 6.542 ( -9.111 -2.396 -2.521) 9.752 7.742 ( -4.455 5.913 6.241) 9.683 8.322 ( 7.886 -5.020 -0.733) 9.376 8.525 ( -2.357 10.326 -10.922) 15.215 9.311 ( -5.731 -3.009 -0.026) 6.473 9.705 ( 8.809 -5.654 7.283) 12.752 10.225 ( -0.450 -12.112 0.415) 12.127 10.863 ( 12.222 7.812 0.282) 14.508 11.671 ( -15.996 -1.809 -1.506) 16.168 12.576 ( 6.927 2.582 4.867) 8.851 12.867 ( 2.169 -5.318 -4.086) 7.048 13.423 ( -7.711 -1.767 -0.780) 7.949 13.487 ( -0.175 -1.362 -1.455) 2.001 13.679 ( -0.290 4.247 -0.138) 4.259 14.257 ( 5.133 -6.534 1.290) 8.408 21.447 ( -3.877 3.713 -0.240) 5.374 21.918 ( 0.647 -6.011 -2.443) 6.520 22.281 ( -3.005 8.357 -0.584) 8.900 22.532 ( 2.311 0.260 0.945) 2.510 23.305 ( 10.972 5.677 5.284) 13.436 23.654 ( -0.734 0.265 -1.941) 2.092 23.873 ( 2.731 -1.476 -0.167) 3.109 24.289 ( -9.845 -16.600 -1.255) 19.340 ======================= Grid point 35 (23/131) ======================= q-point: ( 0.78 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -4.435 2.506 0.452) 5.114 2.894 ( -2.479 -9.910 -4.006) 10.973 3.148 ( 8.788 -0.458 3.066) 9.319 3.180 ( 1.830 -4.533 1.359) 5.074 3.965 ( 3.559 1.210 0.110) 3.760 4.114 ( 4.869 -12.609 3.259) 13.904 4.792 ( -2.383 -0.003 -3.240) 4.022 4.837 ( 3.966 4.031 -2.059) 6.018 5.697 ( -13.001 13.933 -1.745) 19.136 5.972 ( -5.096 -0.375 -0.266) 5.117 6.215 ( -1.909 3.701 -0.785) 4.238 6.285 ( -3.657 1.469 0.691) 4.002 6.475 ( 5.329 -3.339 -0.452) 6.305 6.567 ( 1.584 0.270 -1.180) 1.993 7.687 ( -9.587 4.643 -0.688) 10.675 8.402 ( 9.114 -3.977 5.964) 11.596 8.670 ( -0.711 6.924 -5.389) 8.803 9.148 ( -2.197 -3.714 -2.787) 5.137 9.743 ( 2.973 -3.388 7.193) 8.489 10.032 ( 5.985 -8.939 -1.926) 10.928 11.118 ( -10.760 2.250 6.869) 12.962 11.524 ( 9.254 3.853 -7.173) 12.326 12.597 ( -2.600 -6.815 2.204) 7.620 12.909 ( 9.081 -0.592 2.741) 9.504 13.323 ( -2.645 4.588 -1.259) 5.443 13.437 ( -1.497 -2.249 -5.074) 5.748 13.760 ( -0.847 3.402 0.652) 3.566 14.216 ( 4.794 -7.048 1.931) 8.740 21.454 ( -3.822 4.349 -1.691) 6.032 21.885 ( 5.927 -3.303 0.306) 6.792 22.378 ( -1.690 5.809 -1.095) 6.148 22.555 ( 0.622 -0.955 1.708) 2.053 23.373 ( -11.729 -5.533 3.545) 13.445 23.748 ( -0.487 1.442 2.013) 2.523 23.873 ( 2.243 -0.549 1.473) 2.739 23.971 ( 12.680 -4.191 -6.478) 14.843 ======================= Grid point 36 (24/131) ======================= q-point: ( 0.28 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -26.332 -9.154 -0.867) 27.892 2.895 ( -18.617 -1.355 3.095) 18.921 3.495 ( 3.045 1.023 -2.694) 4.192 3.602 ( 11.596 -2.347 -3.801) 12.427 3.854 ( 4.025 4.322 -0.940) 5.980 4.283 ( -30.295 3.959 8.748) 31.780 4.897 ( 6.129 0.988 -0.762) 6.255 5.072 ( 5.440 4.267 3.177) 7.609 5.314 ( -3.023 -3.041 -2.617) 5.024 5.733 ( 4.292 2.618 0.381) 5.042 5.997 ( -7.527 -3.792 -8.920) 12.272 6.148 ( -3.387 -0.394 -2.139) 4.025 6.878 ( 17.502 -4.154 -2.614) 18.177 7.046 ( 14.784 5.847 -2.093) 16.035 7.286 ( -2.764 -8.761 -3.938) 9.995 8.188 ( -12.351 2.642 1.393) 12.707 8.491 ( 8.168 3.149 17.460) 19.532 9.311 ( 3.980 -5.734 -0.309) 6.987 9.767 ( -11.809 4.286 -12.674) 17.845 10.275 ( 4.068 -1.649 3.222) 5.445 11.055 ( -10.134 16.795 0.124) 19.616 12.014 ( 18.951 -1.946 -0.123) 19.051 12.151 ( -4.795 -14.486 0.824) 15.281 13.091 ( -3.039 8.229 0.288) 8.777 13.254 ( 0.731 -7.303 -1.053) 7.414 13.553 ( 2.310 0.638 -5.927) 6.393 13.982 ( 6.025 8.565 10.808) 15.049 14.312 ( -2.367 -0.140 -1.122) 2.623 21.482 ( 2.872 2.734 -0.818) 4.048 21.896 ( 7.341 -12.114 0.981) 14.198 22.259 ( -2.161 8.362 1.712) 8.804 22.474 ( -1.677 0.524 -1.039) 2.041 22.931 ( -6.834 -4.974 1.129) 8.527 23.722 ( 1.290 1.993 0.790) 2.502 23.804 ( -2.686 -1.552 0.538) 3.149 24.989 ( 4.423 8.963 -4.531) 10.974 ======================= Grid point 38 (25/131) ======================= q-point: (-0.23 -0.03 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -3.173 -14.191 -5.931) 15.704 2.873 ( 3.684 10.656 -4.082) 11.991 3.234 ( 4.069 1.277 1.790) 4.625 3.454 ( 9.381 -1.282 6.935) 11.736 3.770 ( -5.848 -6.675 -6.630) 11.077 4.153 ( 13.736 3.975 1.809) 14.414 4.862 ( 3.350 2.821 -4.003) 5.934 5.053 ( 7.170 4.013 5.063) 9.651 5.701 ( -11.253 4.916 1.768) 12.407 5.751 ( -6.920 -0.106 -1.102) 7.008 6.180 ( -6.996 0.359 0.922) 7.066 6.271 ( -1.900 -4.060 -3.043) 5.418 6.496 ( 4.787 -0.644 0.411) 4.848 6.566 ( -1.368 1.347 -1.145) 2.236 7.600 ( -9.714 5.971 -0.546) 11.415 8.484 ( 8.161 -5.983 6.108) 11.820 8.792 ( -1.948 8.588 1.219) 8.891 9.080 ( 0.360 -3.308 -10.080) 10.615 9.731 ( 1.581 -0.654 9.585) 9.737 10.094 ( 7.991 -1.470 -5.801) 9.983 10.851 ( -5.370 -5.508 -0.119) 7.693 11.795 ( 4.258 3.141 2.980) 6.072 12.384 ( -5.234 -4.165 -3.045) 7.349 13.053 ( 6.343 -0.330 4.200) 7.615 13.351 ( -2.366 -1.823 -3.944) 4.948 13.514 ( 7.088 8.328 -0.106) 10.936 13.754 ( -2.613 -0.436 2.068) 3.360 14.186 ( 3.704 -4.405 -1.243) 5.888 21.473 ( -2.688 4.531 0.701) 5.315 22.008 ( 10.141 -1.423 0.483) 10.251 22.376 ( -6.275 -3.119 2.272) 7.366 22.523 ( -1.603 0.996 2.879) 3.442 22.965 ( -11.000 -3.901 -8.599) 14.497 23.727 ( -0.591 -0.077 1.295) 1.426 23.852 ( 1.211 -2.946 -1.111) 3.374 24.405 ( 17.674 6.941 2.740) 19.185 ======================= Grid point 39 (26/131) ======================= q-point: (-0.23 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -1.190 -19.931 -10.770) 22.686 2.798 ( -11.593 -18.758 -4.903) 22.590 3.350 ( 6.805 5.927 3.169) 9.564 3.498 ( 7.139 2.220 4.189) 8.570 3.845 ( 0.226 8.268 -6.185) 10.328 4.494 ( 7.895 -8.965 -1.050) 11.992 5.007 ( 4.705 3.764 -2.777) 6.635 5.223 ( 2.191 3.097 5.052) 6.318 5.505 ( -1.277 -4.863 9.606) 10.842 5.628 ( -9.324 -1.902 4.063) 10.347 5.969 ( -2.556 -5.461 2.283) 6.447 6.117 ( -3.511 -1.977 -6.411) 7.573 6.606 ( -3.940 8.316 0.901) 9.246 6.789 ( 10.689 14.432 0.504) 17.967 7.518 ( -9.074 4.466 0.218) 10.115 8.425 ( 0.948 -11.297 5.562) 12.628 8.900 ( -5.310 7.121 0.459) 8.894 9.014 ( 3.413 -3.169 -14.734) 15.453 9.753 ( 1.928 -3.117 12.189) 12.728 10.243 ( 2.656 5.865 -6.022) 8.816 10.795 ( 12.665 -7.648 -4.816) 15.559 11.825 ( -5.029 2.490 9.361) 10.914 12.247 ( -6.557 2.945 -9.075) 11.577 13.152 ( 1.583 0.901 5.019) 5.339 13.307 ( 2.525 -3.243 -1.017) 4.234 13.665 ( -5.444 1.818 4.105) 7.056 13.846 ( 11.202 4.710 1.101) 12.201 14.193 ( 2.108 0.025 -7.862) 8.140 21.538 ( -0.327 5.167 3.542) 6.274 22.023 ( -8.790 -7.696 3.569) 12.216 22.213 ( 5.508 2.084 -0.573) 5.916 22.538 ( -0.607 1.055 0.945) 1.541 22.823 ( -2.966 -0.424 -11.114) 11.511 23.709 ( 0.210 -1.089 1.835) 2.144 23.826 ( 0.114 -1.162 -2.440) 2.705 24.837 ( 12.890 5.076 6.291) 15.215 ======================= Grid point 40 (27/131) ======================= q-point: ( 0.28 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -19.252 4.718 18.022) 26.790 1.580 ( -24.990 12.757 14.874) 31.756 2.999 ( -43.866 20.003 16.234) 50.871 3.546 ( -1.359 -6.160 -3.219) 7.082 3.800 ( -0.739 3.206 -6.782) 7.538 3.999 ( -0.064 1.553 5.321) 5.543 4.877 ( -7.211 4.950 -2.746) 9.167 5.224 ( -2.721 0.496 -6.378) 6.952 5.383 ( 2.115 -5.666 -2.724) 6.633 5.567 ( 2.509 2.987 -13.364) 13.922 6.017 ( -1.540 6.494 -9.597) 11.689 6.145 ( 4.999 -1.358 -4.253) 6.702 6.922 ( 8.373 2.768 0.387) 8.827 7.404 ( -1.405 -3.295 -3.306) 4.874 7.819 ( -9.873 -0.438 -3.214) 10.393 7.929 ( 16.973 -6.911 -0.431) 18.331 9.007 ( 7.031 -5.339 23.891) 25.470 9.122 ( 1.670 -0.271 -5.103) 5.376 9.428 ( -8.935 4.585 -7.768) 12.697 10.529 ( 4.261 -0.489 10.963) 11.772 10.911 ( -2.633 -20.147 0.488) 20.325 11.662 ( 1.255 16.442 1.865) 16.595 12.613 ( 12.632 -0.839 0.877) 12.690 12.981 ( -12.735 6.734 -20.019) 24.663 13.063 ( -7.106 -0.752 -0.007) 7.145 13.714 ( 1.894 -0.274 -9.109) 9.308 14.309 ( 12.278 -6.846 10.476) 17.532 14.476 ( 9.587 -6.078 18.869) 22.020 21.692 ( 1.678 -2.216 -2.497) 3.736 21.892 ( 7.111 3.190 0.078) 7.794 22.375 ( 1.640 -2.314 0.234) 2.846 22.499 ( -2.206 -0.804 3.511) 4.224 22.673 ( -3.996 3.957 6.092) 8.291 23.668 ( -1.687 0.337 0.511) 1.794 23.805 ( 0.353 -0.226 0.954) 1.041 25.057 ( -3.819 -2.308 -16.730) 17.315 ======================= Grid point 41 (28/131) ======================= q-point: ( 0.28 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -10.621 27.226 6.836) 30.013 1.828 ( -1.271 33.342 12.189) 35.523 2.777 ( -25.120 34.756 23.425) 48.865 3.550 ( 5.925 1.280 -3.898) 7.207 3.848 ( -3.653 5.372 -7.375) 9.828 3.960 ( -0.798 -3.627 4.523) 5.853 4.865 ( -5.577 5.905 -4.633) 9.351 5.210 ( 0.653 0.319 -5.745) 5.791 5.336 ( 3.778 -3.854 -1.644) 5.642 5.628 ( -1.056 1.153 -12.919) 13.014 6.007 ( -6.503 2.200 -4.200) 8.048 6.144 ( 1.653 -5.673 -7.123) 9.255 7.079 ( -8.436 0.446 0.577) 8.468 7.330 ( 7.011 -0.901 -5.667) 9.060 7.723 ( 1.544 2.474 -3.317) 4.417 7.952 ( 6.620 -14.455 -0.885) 15.923 8.895 ( 5.631 -13.964 23.754) 28.124 9.274 ( 2.481 8.707 -5.522) 10.605 9.354 ( -6.700 2.940 -5.663) 9.252 10.518 ( 0.475 -5.419 10.193) 11.554 10.798 ( 13.157 0.056 0.600) 13.171 11.904 ( -8.821 8.277 2.225) 12.299 12.687 ( -0.978 -11.262 -1.224) 11.371 12.918 ( 1.219 5.903 -5.194) 7.957 13.006 ( -6.170 11.075 -14.601) 19.337 13.702 ( 0.515 -3.021 -8.768) 9.288 14.380 ( 10.933 -12.070 18.642) 24.754 14.415 ( 1.978 -9.157 10.984) 14.436 21.644 ( 1.308 -4.638 -2.034) 5.230 22.110 ( 1.464 1.641 -0.392) 2.234 22.267 ( -4.781 -6.207 5.766) 9.728 22.421 ( 3.899 -0.114 0.011) 3.901 22.688 ( -3.775 5.206 3.350) 7.251 23.681 ( -0.393 2.623 1.070) 2.860 23.794 ( 0.319 -1.320 0.706) 1.530 25.038 ( 2.284 2.783 -15.693) 16.100 ======================= Grid point 42 (29/131) ======================= q-point: (-0.23 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 5.900 -25.035 -12.300) 28.511 2.107 ( -7.390 -27.340 -11.198) 30.455 3.540 ( 3.463 -1.328 4.060) 5.499 3.656 ( 1.811 -1.301 4.653) 5.160 3.944 ( -9.208 -29.447 -8.184) 31.920 3.980 ( -1.314 1.962 -4.793) 5.343 5.005 ( -4.491 -5.647 4.723) 8.623 5.251 ( -0.352 3.348 -5.146) 6.149 5.342 ( -4.352 -0.865 3.515) 5.661 5.582 ( 5.226 -4.681 18.697) 19.970 5.967 ( -2.417 5.200 5.682) 8.073 6.101 ( 0.391 -0.105 1.273) 1.335 6.737 ( -0.997 9.941 -1.097) 10.051 7.315 ( 5.631 12.097 4.903) 14.216 7.550 ( 2.430 14.577 -3.744) 15.245 8.101 ( -4.570 -14.475 1.655) 15.269 8.901 ( -4.553 5.305 -12.544) 14.361 9.101 ( 5.502 0.376 -1.183) 5.640 9.619 ( -2.216 -9.876 10.948) 14.910 10.412 ( 0.295 7.379 -7.581) 10.584 11.003 ( 20.909 -6.527 -1.959) 21.992 11.663 ( -11.707 -1.433 0.516) 11.806 12.340 ( -1.111 13.967 -2.856) 14.299 13.131 ( -2.320 -3.075 10.488) 11.173 13.216 ( -0.551 -8.042 0.335) 8.068 13.660 ( -1.310 3.679 6.856) 7.890 14.121 ( 6.911 5.974 -5.076) 10.451 14.315 ( 2.736 7.150 -13.092) 15.166 21.655 ( 2.246 3.108 4.295) 5.757 21.786 ( -6.651 2.727 0.126) 7.189 22.354 ( 4.754 0.309 0.562) 4.797 22.522 ( -1.614 -0.326 -1.131) 1.997 22.741 ( -2.634 -2.842 -8.875) 9.684 23.699 ( 0.907 -1.388 0.684) 1.793 23.804 ( -0.732 -0.227 -1.967) 2.111 25.084 ( 5.743 0.690 10.791) 12.244 ======================= Grid point 43 (30/131) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 1.962 -19.789 -8.083) 21.466 2.951 ( 4.888 -19.445 -9.223) 22.070 3.379 ( 1.094 4.586 4.075) 6.232 3.523 ( 0.255 8.600 0.776) 8.639 3.884 ( -3.196 5.532 4.417) 7.767 4.649 ( -3.900 -20.879 -13.184) 24.999 4.774 ( -2.926 -4.439 11.316) 12.502 5.187 ( -1.345 -0.591 4.479) 4.713 5.351 ( -4.280 -4.877 -0.566) 6.513 5.671 ( 11.514 -3.711 0.783) 12.123 5.753 ( -3.634 -3.363 4.232) 6.514 6.037 ( -0.113 -2.350 3.481) 4.202 6.686 ( 8.291 8.778 -0.951) 12.112 7.030 ( 0.003 10.184 4.069) 10.967 7.302 ( -5.402 11.058 -2.524) 12.563 8.253 ( -2.444 -13.548 1.974) 13.908 8.762 ( 0.724 10.023 -1.827) 10.213 9.316 ( -0.779 -1.259 3.049) 3.389 9.541 ( -0.933 -6.246 -1.366) 6.461 10.358 ( -1.851 8.365 -2.835) 9.024 11.319 ( -6.980 -9.880 -2.031) 12.266 11.789 ( 17.635 6.508 -1.657) 18.871 12.107 ( -4.713 6.183 -1.461) 7.910 13.090 ( 2.654 -1.821 1.966) 3.771 13.274 ( -5.832 -6.368 0.026) 8.634 13.414 ( 0.470 0.449 6.748) 6.779 14.200 ( 6.438 2.626 1.350) 7.083 14.378 ( -5.587 10.027 -9.330) 14.793 21.562 ( -6.865 -0.014 1.133) 6.958 21.672 ( 10.434 5.279 0.476) 11.703 22.406 ( -0.163 -0.017 -1.746) 1.754 22.478 ( -1.908 0.001 0.495) 1.971 22.937 ( -2.050 -1.796 -3.979) 4.823 23.751 ( 2.545 -0.206 0.045) 2.553 23.809 ( -2.434 0.014 -1.507) 2.862 24.950 ( 0.254 -3.077 6.780) 7.450 ======================= Grid point 44 (31/131) ======================= q-point: ( 0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.040 31.491 0.000) 31.491 0.708 ( -31.519 35.294 0.000) 47.320 1.219 ( 18.407 60.714 0.000) 63.443 3.651 ( -0.625 1.783 0.000) 1.889 3.691 ( 0.460 5.655 0.000) 5.674 3.953 ( 0.229 -0.669 -0.000) 0.707 4.723 ( -0.308 5.494 0.000) 5.502 5.377 ( -0.044 -3.437 -0.000) 3.437 5.576 ( 1.713 -5.468 -0.000) 5.730 5.665 ( -1.737 3.064 0.000) 3.522 6.017 ( 1.847 -1.539 -0.000) 2.404 6.362 ( -0.693 -4.588 -0.000) 4.640 7.044 ( -0.980 -6.260 -0.000) 6.336 7.409 ( -1.640 8.558 0.000) 8.714 7.773 ( 2.797 -0.634 -0.000) 2.868 8.429 ( -1.155 -14.917 -0.000) 14.962 8.653 ( 1.881 0.533 -0.000) 1.956 9.217 ( -2.233 1.903 0.000) 2.934 9.264 ( 1.678 6.345 0.000) 6.563 10.438 ( 0.024 -0.984 -0.000) 0.984 11.138 ( 12.705 -1.856 -0.000) 12.840 11.457 ( -15.339 3.724 0.000) 15.785 12.841 ( -1.893 -6.618 -0.000) 6.883 12.938 ( 2.062 3.185 0.000) 3.794 13.424 ( -0.726 -1.047 -0.000) 1.274 13.885 ( -0.059 -1.602 -0.000) 1.603 13.905 ( 1.264 -0.454 -0.000) 1.343 14.477 ( -0.143 -3.775 -0.000) 3.778 21.727 ( 0.338 -1.685 -0.000) 1.718 22.053 ( -6.604 -3.955 0.000) 7.697 22.290 ( 6.462 1.702 -0.000) 6.683 22.484 ( -0.477 -0.501 -0.000) 0.692 22.513 ( 0.125 2.249 0.000) 2.253 23.603 ( -0.022 2.024 0.000) 2.024 23.824 ( 0.034 -1.013 -0.000) 1.013 25.348 ( 0.757 -0.830 -0.000) 1.123 ======================= Grid point 45 (32/131) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 5.445 22.967 0.000) 23.603 1.401 ( 14.985 28.363 0.000) 32.078 2.809 ( 22.890 50.714 0.000) 55.640 3.579 ( -6.495 0.389 0.000) 6.507 3.909 ( -0.804 -1.920 -0.000) 2.082 3.913 ( 4.879 3.144 -0.000) 5.805 4.905 ( 5.245 8.108 0.000) 9.657 5.278 ( -2.052 -3.484 -0.000) 4.044 5.413 ( -3.355 -3.989 -0.000) 5.213 5.784 ( 6.516 2.519 -0.000) 6.986 6.148 ( -0.562 -1.693 -0.000) 1.784 6.196 ( 1.343 -8.918 -0.000) 9.019 6.913 ( 4.144 -8.795 -0.000) 9.723 7.439 ( -4.923 1.731 0.000) 5.219 7.857 ( 1.543 11.102 0.000) 11.208 7.915 ( -10.796 -22.692 -0.000) 25.129 8.685 ( -3.253 2.350 0.000) 4.013 9.185 ( 0.587 -2.240 -0.000) 2.316 9.525 ( 4.824 10.683 0.000) 11.722 10.402 ( -0.197 -2.408 -0.000) 2.416 10.903 ( -22.094 1.968 0.000) 22.182 11.641 ( 17.784 -0.446 -0.000) 17.789 12.601 ( -1.473 -13.306 -0.000) 13.387 13.059 ( -1.281 7.353 0.000) 7.464 13.415 ( 3.566 -4.417 -0.000) 5.677 13.821 ( -1.303 -3.216 -0.000) 3.470 13.912 ( -1.980 2.929 0.000) 3.536 14.322 ( -4.588 -6.853 -0.000) 8.248 21.733 ( 2.221 1.104 -0.000) 2.480 21.880 ( 0.257 -7.758 -0.000) 7.762 22.389 ( -4.962 -1.704 0.000) 5.246 22.425 ( 1.398 4.075 0.000) 4.308 22.621 ( 3.945 1.904 -0.000) 4.380 23.664 ( 1.085 2.434 0.000) 2.665 23.792 ( -0.861 -1.066 -0.000) 1.370 25.271 ( -5.701 -2.125 0.000) 6.084 ======================= Grid point 46 (33/131) ======================= q-point: (-0.45 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 6.353 -22.559 -10.761) 25.788 2.607 ( 1.339 -21.277 -8.238) 22.855 3.421 ( -0.994 -1.409 4.931) 5.224 3.671 ( -0.528 2.472 8.916) 9.268 3.930 ( -1.130 5.777 -4.272) 7.273 4.001 ( 1.767 -26.796 -19.093) 32.950 4.748 ( 5.245 -2.388 9.252) 10.900 5.160 ( -3.691 -5.409 4.119) 7.736 5.246 ( -0.243 6.570 5.608) 8.641 5.499 ( -2.233 -9.869 1.825) 10.282 5.888 ( 0.639 1.150 6.660) 6.788 6.010 ( 9.917 -4.748 3.965) 11.688 7.053 ( 8.612 4.057 1.078) 9.580 7.121 ( -3.251 5.616 6.822) 9.415 7.398 ( -13.289 14.854 3.348) 20.210 8.023 ( 3.413 -8.810 -3.382) 10.035 8.971 ( 2.152 8.755 -3.340) 9.615 9.213 ( -2.154 -7.001 12.495) 14.484 9.442 ( -0.040 -0.056 -11.454) 11.455 10.483 ( -3.553 8.809 0.141) 9.499 10.987 ( -10.459 -3.539 -10.962) 15.559 12.079 ( 8.034 -4.476 -1.522) 9.322 12.367 ( 5.420 15.548 1.993) 16.586 13.017 ( -0.480 -11.604 1.865) 11.763 13.043 ( -0.526 -6.152 1.680) 6.399 13.436 ( 0.831 1.857 9.774) 9.983 14.365 ( -2.353 6.774 -3.025) 7.783 14.460 ( -8.354 14.059 -10.281) 19.316 21.502 ( -3.308 3.411 2.503) 5.370 22.049 ( 11.124 5.152 0.242) 12.261 22.337 ( -3.566 0.778 -5.583) 6.670 22.421 ( -3.289 0.213 -0.278) 3.307 22.875 ( 2.201 -3.280 -3.485) 5.267 23.748 ( -2.404 -1.034 -1.196) 2.877 23.803 ( 2.370 -0.096 -1.229) 2.671 24.806 ( -4.847 -5.117 11.432) 13.430 ======================= Grid point 47 (34/131) ======================= q-point: (-0.45 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 9.450 -12.832 -17.882) 23.953 2.289 ( 11.928 -19.068 -15.982) 27.591 3.351 ( -1.744 1.906 6.198) 6.715 3.548 ( -2.440 -4.284 5.770) 7.589 3.885 ( 20.964 -11.411 -15.298) 28.350 4.134 ( 3.789 3.760 -7.132) 8.908 4.846 ( 7.650 -2.369 10.657) 13.330 5.000 ( -2.416 -2.292 10.683) 11.190 5.305 ( 2.711 -6.358 -2.159) 7.241 5.355 ( -3.378 4.314 7.749) 9.490 5.869 ( -0.388 -1.545 9.289) 9.424 6.102 ( 6.053 -5.576 3.796) 9.064 6.927 ( -9.317 -1.578 5.145) 10.759 7.265 ( -3.626 2.391 4.536) 6.280 7.515 ( -1.673 14.204 4.560) 15.011 7.983 ( 5.059 -5.666 -2.877) 8.123 9.030 ( -2.315 -4.155 6.861) 8.349 9.186 ( 3.186 4.909 3.301) 6.719 9.478 ( -0.832 2.330 -15.563) 15.758 10.587 ( -2.958 9.933 2.649) 10.698 10.842 ( -4.259 3.947 -18.441) 19.334 11.955 ( -6.231 -9.283 0.464) 11.190 12.631 ( -4.739 2.239 -1.728) 5.519 12.835 ( 9.651 -9.756 8.604) 16.198 13.017 ( 5.423 1.742 0.202) 5.700 13.485 ( 1.876 -0.837 10.997) 11.188 14.319 ( -14.143 7.783 -5.848) 17.170 14.608 ( -6.694 12.298 -9.412) 16.871 21.531 ( -2.491 4.552 4.036) 6.574 21.992 ( -6.105 -5.987 0.889) 8.597 22.343 ( -3.005 1.792 -0.196) 3.504 22.521 ( 2.894 2.967 -3.060) 5.152 22.951 ( 8.022 -0.498 -12.531) 14.886 23.688 ( -1.289 -0.728 -0.551) 1.580 23.833 ( 1.721 -0.387 -1.202) 2.135 24.667 ( -0.335 -0.746 15.936) 15.957 ======================= Grid point 48 (35/131) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 15.639 13.645 -0.000) 20.755 2.269 ( 18.246 25.025 0.000) 30.970 3.423 ( -7.623 -1.772 0.000) 7.827 3.798 ( 1.887 3.564 0.000) 4.032 3.809 ( -6.857 -11.151 -0.000) 13.091 4.039 ( 7.293 25.363 0.000) 26.391 5.104 ( -4.162 -6.403 -0.000) 7.637 5.246 ( 13.315 5.744 -0.000) 14.501 5.537 ( 7.851 10.049 0.000) 12.752 5.769 ( -20.910 -7.637 0.000) 22.261 5.972 ( 8.691 0.438 -0.000) 8.702 6.009 ( -5.419 -5.818 -0.000) 7.950 6.804 ( 4.492 -10.643 -0.000) 11.552 7.197 ( -13.949 -22.426 -0.000) 26.410 7.570 ( 12.005 0.576 -0.000) 12.018 8.222 ( 4.135 19.186 0.000) 19.627 8.597 ( -11.201 3.995 0.000) 11.892 9.158 ( 5.697 -7.719 -0.000) 9.594 9.782 ( -0.248 8.777 0.000) 8.780 10.313 ( -1.012 -7.843 -0.000) 7.908 10.582 ( -13.610 5.388 0.000) 14.638 11.964 ( 13.684 1.292 -0.000) 13.745 12.301 ( -0.315 -14.156 -0.000) 14.159 13.123 ( -8.794 7.784 0.000) 11.744 13.373 ( 3.561 -6.258 -0.000) 7.200 13.739 ( -0.532 -2.420 -0.000) 2.478 13.961 ( -3.025 6.711 0.000) 7.361 14.056 ( -4.612 -9.605 -0.000) 10.654 21.740 ( 2.009 -8.636 -0.000) 8.866 21.872 ( 0.412 8.777 0.000) 8.786 22.263 ( -0.630 -3.606 -0.000) 3.661 22.513 ( -1.090 4.402 0.000) 4.535 22.711 ( 4.636 -1.340 -0.000) 4.826 23.724 ( 1.091 1.180 0.000) 1.607 23.760 ( -1.458 0.480 0.000) 1.535 25.030 ( -11.156 -5.462 0.000) 12.422 ======================= Grid point 49 (36/131) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 13.696 10.448 -0.000) 17.226 2.981 ( 8.712 4.282 -0.000) 9.707 3.290 ( -0.104 9.372 0.000) 9.373 3.371 ( -9.791 -10.731 -0.000) 14.527 3.739 ( -2.945 -7.129 -0.000) 7.713 4.250 ( -15.035 0.393 0.000) 15.040 4.909 ( -3.617 -5.134 -0.000) 6.280 5.187 ( -7.550 -4.018 0.000) 8.552 5.641 ( 5.896 -0.528 -0.000) 5.920 5.920 ( 11.153 4.602 -0.000) 12.065 6.029 ( 2.711 13.527 0.000) 13.796 6.115 ( 6.238 -1.291 -0.000) 6.370 6.602 ( -8.978 -11.288 -0.000) 14.424 6.679 ( 0.806 -7.669 -0.000) 7.711 7.739 ( 11.093 -6.545 -0.000) 12.880 8.443 ( -13.952 6.384 0.000) 15.344 8.693 ( 3.747 16.896 0.000) 17.307 9.068 ( 5.425 -12.848 -0.000) 13.946 9.843 ( -5.861 4.923 0.000) 7.654 10.046 ( -5.877 -8.701 -0.000) 10.500 10.656 ( 3.915 9.948 0.000) 10.690 12.030 ( -3.197 -11.164 -0.000) 11.612 12.239 ( 10.260 2.939 -0.000) 10.673 13.029 ( -12.105 5.546 0.000) 13.315 13.342 ( 3.584 -3.599 -0.000) 5.079 13.630 ( -7.817 -3.358 0.000) 8.508 13.867 ( 5.870 -8.112 -0.000) 10.013 14.033 ( -4.349 7.529 0.000) 8.695 21.624 ( 2.968 -7.924 -0.000) 8.462 21.926 ( -11.630 7.049 0.000) 13.600 22.352 ( 9.258 1.537 -0.000) 9.384 22.552 ( -2.447 3.225 0.000) 4.048 22.805 ( 11.335 -1.479 -0.000) 11.431 23.753 ( 1.118 -0.351 -0.000) 1.172 23.760 ( -2.181 3.057 0.000) 3.756 24.617 ( -15.888 -8.892 0.000) 18.207 ======================= Grid point 50 (37/131) ======================= q-point: (-0.45 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 18.801 -1.149 -19.237) 26.924 2.421 ( 22.991 -2.075 -16.259) 28.236 3.410 ( -1.401 1.235 7.080) 7.322 3.545 ( 1.875 5.254 5.642) 7.935 4.045 ( -2.578 -3.567 -3.795) 5.811 4.261 ( 24.529 -7.077 -16.690) 30.501 4.830 ( 3.579 -6.240 10.753) 12.938 5.132 ( 4.647 3.758 18.206) 19.162 5.307 ( 4.074 -1.678 -0.572) 4.443 5.367 ( 0.667 5.819 -2.044) 6.203 5.804 ( -0.669 -2.887 7.892) 8.430 6.050 ( 3.133 -6.536 3.412) 8.011 6.751 ( -8.753 2.262 0.473) 9.053 7.195 ( -10.201 4.496 5.891) 12.609 7.595 ( -10.559 2.652 -1.342) 10.969 8.050 ( 12.911 -4.286 3.134) 13.961 8.922 ( -6.006 0.074 4.326) 7.403 9.290 ( 3.767 -0.965 7.463) 8.415 9.481 ( 1.280 -1.109 -15.439) 15.532 10.587 ( -10.268 0.839 -5.267) 11.570 11.076 ( 6.355 14.192 -6.730) 16.944 11.666 ( -2.941 -4.080 -0.821) 5.096 12.401 ( -10.143 -4.934 -1.776) 11.418 12.946 ( 9.118 -1.350 5.626) 10.799 13.209 ( 7.690 0.370 0.461) 7.713 13.462 ( -0.743 -2.433 10.611) 10.911 14.197 ( -11.455 7.409 -2.819) 13.930 14.606 ( -10.234 3.937 -10.979) 15.517 21.575 ( -3.437 6.145 2.721) 7.548 21.758 ( -3.469 -7.234 2.000) 8.268 22.364 ( -1.430 4.375 -1.196) 4.756 22.529 ( -0.603 -1.815 0.125) 1.917 22.990 ( 2.495 -5.795 -12.696) 14.177 23.692 ( 0.199 2.033 -0.051) 2.043 23.852 ( 0.913 -1.510 -2.335) 2.927 24.789 ( 5.344 5.345 14.945) 16.748 ======================= Grid point 52 (38/131) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 8.542 10.394 0.000) 13.453 2.778 ( -0.729 -10.536 -0.000) 10.562 3.118 ( -6.861 1.617 0.000) 7.049 3.305 ( -15.606 -9.460 0.000) 18.249 3.813 ( 8.000 16.594 0.000) 18.422 4.026 ( -3.924 -2.047 0.000) 4.426 4.782 ( -0.070 -2.485 -0.000) 2.486 4.951 ( -7.742 -5.958 0.000) 9.770 5.841 ( 7.868 6.651 -0.000) 10.302 5.956 ( 7.521 -14.255 -0.000) 16.118 6.273 ( 3.789 5.329 0.000) 6.538 6.281 ( 2.342 0.449 -0.000) 2.385 6.430 ( -2.441 0.086 0.000) 2.443 6.556 ( -2.745 -0.923 0.000) 2.896 7.810 ( 11.400 -7.519 -0.000) 13.656 8.312 ( -13.699 7.911 0.000) 15.820 8.886 ( 3.699 -13.602 -0.000) 14.096 8.977 ( 0.468 9.351 0.000) 9.363 9.816 ( -5.487 -2.715 0.000) 6.121 9.832 ( -4.656 6.477 0.000) 7.977 11.065 ( 15.083 10.297 -0.000) 18.263 11.660 ( -11.671 -12.341 -0.000) 16.985 12.492 ( 7.928 4.251 -0.000) 8.996 12.900 ( -12.175 4.487 0.000) 12.976 13.363 ( 2.495 -0.684 -0.000) 2.587 13.411 ( -2.093 -5.237 -0.000) 5.640 13.860 ( 5.132 -5.882 -0.000) 7.806 14.086 ( -5.364 7.719 0.000) 9.399 21.552 ( 4.572 -6.644 -0.000) 8.065 21.818 ( -8.923 4.390 0.000) 9.945 22.454 ( 2.563 -2.657 -0.000) 3.692 22.553 ( -2.374 1.977 0.000) 3.089 23.205 ( 19.290 8.057 -0.000) 20.906 23.770 ( 2.276 -0.184 -0.000) 2.283 23.776 ( -5.129 4.527 0.000) 6.841 24.085 ( -17.001 -10.134 0.000) 19.793 ======================= Grid point 53 (39/131) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -4.167 1.045 0.000) 4.296 2.948 ( 4.915 10.098 0.000) 11.230 3.090 ( -1.312 6.770 0.000) 6.896 3.256 ( 10.042 12.717 0.000) 16.204 3.784 ( -12.933 -9.335 0.000) 15.950 4.050 ( -4.094 4.027 0.000) 5.743 4.779 ( 1.069 -1.751 -0.000) 2.051 4.889 ( 8.523 3.642 -0.000) 9.268 5.809 ( 1.150 -9.249 -0.000) 9.320 6.102 ( 3.727 -6.011 -0.000) 7.073 6.199 ( 2.013 4.700 0.000) 5.113 6.308 ( -7.217 -4.898 0.000) 8.723 6.456 ( 8.196 2.778 -0.000) 8.654 6.509 ( -4.299 0.354 0.000) 4.314 7.910 ( 11.962 -5.651 -0.000) 13.229 8.201 ( -12.791 7.157 0.000) 14.657 8.682 ( 2.633 -14.753 -0.000) 14.986 9.191 ( 2.889 10.363 0.000) 10.758 9.700 ( -4.468 0.137 0.000) 4.470 9.960 ( -1.149 12.399 0.000) 12.452 11.109 ( -15.357 -14.300 0.000) 20.984 11.576 ( 18.134 6.755 -0.000) 19.352 12.689 ( -12.877 0.157 0.000) 12.878 12.695 ( 4.286 3.442 -0.000) 5.497 13.382 ( 2.100 0.734 -0.000) 2.225 13.427 ( 3.460 1.922 -0.000) 3.958 13.817 ( 4.438 -7.803 -0.000) 8.977 14.125 ( -6.365 7.698 0.000) 9.989 21.545 ( 6.988 -5.781 -0.000) 9.069 21.779 ( -4.845 5.719 0.000) 7.496 22.419 ( 3.301 -5.920 -0.000) 6.778 22.538 ( -2.298 0.846 0.000) 2.449 23.478 ( -19.786 -5.298 0.000) 20.483 23.608 ( 6.404 0.979 -0.000) 6.478 23.836 ( -2.761 1.426 0.000) 3.108 23.998 ( 13.631 11.529 -0.000) 17.853 ======================= Grid point 54 (40/131) ======================= q-point: ( 0.55 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -5.989 3.623 6.491) 9.546 3.067 ( -0.196 -8.943 6.075) 10.813 3.276 ( 1.483 -0.718 1.103) 1.983 3.461 ( -3.667 3.516 -1.869) 5.413 3.812 ( 3.713 -0.628 -0.303) 3.778 4.732 ( 0.788 -8.679 3.912) 9.552 4.969 ( 4.522 9.484 -9.234) 13.988 5.125 ( 3.638 -7.807 -5.226) 10.074 5.323 ( 3.992 -7.318 1.200) 8.422 5.645 ( -8.195 2.189 -3.101) 9.032 5.966 ( 3.132 4.200 6.439) 8.301 6.112 ( -2.971 7.891 0.309) 8.437 6.535 ( -6.885 -2.817 1.191) 7.534 6.842 ( -1.406 -6.348 0.891) 6.563 7.275 ( 4.897 7.792 2.720) 9.596 8.464 ( 6.079 -0.353 -1.009) 6.172 8.615 ( -4.404 2.514 -8.139) 9.590 9.345 ( 0.658 1.619 0.430) 1.799 9.603 ( 1.234 -1.338 5.137) 5.450 10.273 ( 1.518 0.874 1.698) 2.439 11.242 ( 6.046 -18.086 0.088) 19.070 11.693 ( -13.066 3.218 -2.407) 13.670 12.204 ( 1.465 10.048 3.188) 10.642 13.084 ( -0.955 -1.198 0.088) 1.535 13.348 ( 4.042 0.510 -3.485) 5.361 13.448 ( -0.297 3.211 1.330) 3.488 14.041 ( -4.707 -11.345 -5.393) 13.415 14.307 ( 3.636 1.576 5.329) 6.641 21.462 ( 1.366 -4.097 -0.757) 4.384 21.808 ( -4.903 12.662 -2.151) 13.747 22.330 ( 0.343 -6.856 -2.149) 7.193 22.485 ( 1.789 0.457 0.747) 1.992 22.988 ( 1.977 2.806 5.576) 6.548 23.722 ( -1.263 -1.975 -1.296) 2.679 23.842 ( 1.098 2.181 0.872) 2.593 24.893 ( -0.237 -8.502 -1.697) 8.673 ======================= Grid point 56 (41/131) ======================= q-point: ( 0.55 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -17.339 -1.422 16.244) 23.802 2.938 ( -14.201 8.822 7.306) 18.245 3.268 ( 4.249 -5.602 -3.141) 7.701 3.434 ( -0.983 -7.734 -2.426) 8.165 3.953 ( 9.922 2.991 2.782) 10.730 4.507 ( -0.672 -11.987 0.099) 12.006 5.002 ( 0.303 -5.604 -8.852) 10.482 5.063 ( -4.416 -5.214 -3.606) 7.726 5.334 ( -4.813 7.664 -5.037) 10.358 5.572 ( -3.135 8.536 -0.922) 9.140 5.955 ( -9.732 6.568 1.689) 11.862 6.230 ( -1.740 5.863 3.316) 6.956 6.568 ( 7.380 1.490 -2.479) 7.926 6.765 ( 10.975 -10.794 -1.527) 15.469 7.526 ( 2.671 6.039 1.409) 6.752 8.335 ( -10.240 -0.196 -3.584) 10.851 8.782 ( 9.698 1.603 -6.893) 12.006 9.336 ( -2.852 -2.214 0.721) 3.682 9.579 ( -2.515 1.324 7.454) 7.977 10.367 ( 6.360 -3.692 4.551) 8.648 10.921 ( -3.695 -11.121 6.533) 13.417 11.637 ( 2.548 2.605 -7.537) 8.371 12.429 ( 3.408 7.817 7.199) 11.160 13.048 ( -0.817 -1.218 -4.174) 4.425 13.303 ( -6.622 -2.993 -1.243) 7.372 13.541 ( -0.362 5.578 -6.659) 8.694 13.839 ( 6.958 -9.680 0.385) 11.928 14.370 ( 5.032 -4.421 7.422) 9.998 21.451 ( 1.876 -0.822 -3.879) 4.386 21.938 ( -4.110 8.120 -3.696) 9.822 22.225 ( 2.650 -4.039 0.463) 4.852 22.536 ( 1.289 0.739 0.486) 1.563 23.097 ( 1.025 3.822 13.028) 13.616 23.675 ( -0.648 -0.332 -1.258) 1.453 23.880 ( -0.212 0.124 2.372) 2.385 24.654 ( -0.075 -12.894 -9.749) 16.165 ======================= Grid point 57 (42/131) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -19.073 7.935 0.000) 20.658 3.094 ( -18.460 -11.298 0.000) 21.643 3.239 ( 1.206 5.886 0.000) 6.008 3.465 ( 6.825 13.026 0.000) 14.706 3.842 ( 10.129 13.002 0.000) 16.482 3.969 ( 0.288 -4.589 -0.000) 4.598 4.890 ( 6.498 3.121 -0.000) 7.209 5.072 ( 7.097 -1.745 -0.000) 7.308 5.725 ( 6.725 -5.219 -0.000) 8.512 5.817 ( -4.806 -13.653 -0.000) 14.474 5.949 ( -17.643 -2.235 0.000) 17.784 6.345 ( -8.161 -1.517 0.000) 8.301 6.613 ( 13.740 12.472 -0.000) 18.557 6.728 ( 9.755 5.874 -0.000) 11.387 8.069 ( 12.548 -2.561 -0.000) 12.807 8.083 ( -11.887 4.634 0.000) 12.759 8.332 ( -1.949 -22.145 -0.000) 22.230 9.459 ( -0.918 11.765 0.000) 11.800 9.625 ( -0.553 -2.880 -0.000) 2.932 10.229 ( 0.450 13.088 0.000) 13.095 10.606 ( -10.176 -7.557 0.000) 12.675 12.027 ( 16.666 4.087 -0.000) 17.160 12.438 ( -11.001 -1.426 0.000) 11.093 12.805 ( 1.819 2.470 0.000) 3.068 13.462 ( 0.038 4.454 0.000) 4.454 13.579 ( 5.830 3.300 -0.000) 6.699 13.744 ( 5.919 -9.463 -0.000) 11.162 14.141 ( -6.252 7.169 0.000) 9.512 21.587 ( 8.433 -5.883 -0.000) 10.282 21.847 ( -2.495 8.065 0.000) 8.442 22.359 ( 4.967 -8.419 -0.000) 9.775 22.479 ( -4.620 0.052 0.000) 4.620 23.062 ( -13.869 -1.803 0.000) 13.986 23.672 ( 2.508 -0.370 -0.000) 2.535 23.806 ( -2.972 0.758 0.000) 3.067 24.543 ( 12.956 13.224 0.000) 18.513 ======================= Grid point 58 (43/131) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -32.697 10.396 0.000) 34.310 2.286 ( -26.375 -17.985 0.000) 31.923 3.441 ( 1.341 8.000 0.000) 8.112 3.673 ( -19.924 -21.673 -0.000) 29.439 3.886 ( 6.703 9.431 0.000) 11.570 3.890 ( 0.475 -1.974 -0.000) 2.030 5.098 ( 6.437 4.012 -0.000) 7.585 5.207 ( 5.093 -13.350 -0.000) 14.288 5.442 ( -5.284 -10.940 -0.000) 12.149 5.643 ( 3.473 11.368 0.000) 11.886 6.007 ( 6.388 8.003 0.000) 10.240 6.109 ( -7.956 -5.163 0.000) 9.484 7.048 ( 5.201 11.327 0.000) 12.464 7.256 ( 20.160 16.616 -0.000) 26.125 7.661 ( -10.372 -23.866 -0.000) 26.022 7.978 ( -7.208 -3.152 0.000) 7.867 8.299 ( 11.923 0.774 -0.000) 11.948 9.490 ( -11.640 5.791 0.000) 13.001 9.589 ( 2.804 -5.777 -0.000) 6.422 10.351 ( 3.719 -3.115 -0.000) 4.851 10.554 ( -4.880 14.597 0.000) 15.391 12.187 ( -10.135 -3.449 0.000) 10.706 12.404 ( 14.096 3.255 -0.000) 14.467 12.884 ( 1.146 2.317 0.000) 2.585 13.528 ( -0.104 0.518 0.000) 0.529 13.712 ( 5.670 -3.606 -0.000) 6.719 13.739 ( 4.019 2.187 -0.000) 4.576 14.201 ( -0.964 6.864 0.000) 6.931 21.630 ( 6.699 -4.978 -0.000) 8.347 21.980 ( -2.465 9.925 0.000) 10.227 22.279 ( 6.300 -10.902 -0.000) 12.591 22.401 ( -4.379 2.596 0.000) 5.091 22.833 ( -7.524 -1.737 0.000) 7.722 23.724 ( 2.209 0.851 -0.000) 2.367 23.748 ( -2.937 -0.658 0.000) 3.009 24.979 ( 7.983 9.576 0.000) 12.467 ======================= Grid point 59 (44/131) ======================= q-point: ( 0.55 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -4.433 13.154 9.307) 16.713 2.878 ( -13.614 13.135 6.765) 20.091 3.224 ( 5.061 -4.431 -4.078) 7.866 3.365 ( 8.767 -5.267 -5.384) 11.558 4.053 ( -2.300 -4.743 1.049) 5.375 4.312 ( 0.826 -5.517 10.502) 11.892 4.926 ( 0.312 -2.161 -8.586) 8.860 4.957 ( 1.761 -0.422 -4.343) 4.706 5.318 ( -6.930 4.749 -10.525) 13.467 5.703 ( -10.722 14.334 3.302) 18.203 5.921 ( -3.676 3.158 -0.639) 4.888 6.273 ( -2.053 2.717 1.303) 3.646 6.747 ( 8.520 -0.916 -4.871) 9.857 6.799 ( 13.386 -12.091 -2.589) 18.223 7.541 ( -7.657 1.162 -5.293) 9.381 8.209 ( -5.040 3.992 4.264) 7.715 8.992 ( 7.674 -0.830 -8.571) 11.534 9.157 ( -4.708 -3.168 5.465) 7.878 9.545 ( -4.237 1.346 5.089) 6.757 10.349 ( 6.316 -6.899 -0.205) 9.356 10.748 ( -2.909 -0.933 11.644) 12.038 11.867 ( 11.478 2.614 -7.826) 14.136 12.577 ( -0.035 -1.162 6.383) 6.488 12.936 ( -1.717 -4.028 0.803) 4.452 13.209 ( -3.229 7.258 -5.055) 9.416 13.567 ( -4.429 1.022 -8.684) 9.802 13.877 ( 11.982 -7.892 4.096) 14.921 14.339 ( 3.656 -6.496 6.515) 9.900 21.460 ( -0.306 -0.747 -5.478) 5.537 21.993 ( 3.389 1.141 0.683) 3.641 22.299 ( 2.136 4.372 -1.383) 5.058 22.518 ( -2.845 -3.003 2.654) 4.915 23.089 ( -6.234 0.078 10.373) 12.102 23.689 ( 0.276 1.220 0.069) 1.253 23.856 ( -0.244 -0.314 2.395) 2.427 24.510 ( 7.907 -7.088 -11.053) 15.328 ======================= Grid point 60 (45/131) ======================= q-point: ( 0.55 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 1.298 19.876 0.192) 19.919 2.893 ( -4.134 5.729 -0.221) 7.068 3.288 ( 6.655 -6.076 -8.608) 12.462 3.525 ( 8.129 0.603 3.394) 8.830 3.826 ( -4.495 -5.975 -1.828) 7.698 4.372 ( 8.901 5.673 6.009) 12.146 4.933 ( -3.017 5.580 -1.225) 6.461 5.041 ( 5.925 -1.743 3.221) 6.965 5.241 ( -6.776 2.963 -8.309) 11.124 5.773 ( -7.352 9.185 1.448) 11.853 5.900 ( -1.262 1.163 -1.335) 2.174 6.249 ( -6.333 3.321 -0.954) 7.215 6.735 ( 8.364 -17.366 -3.005) 19.508 6.826 ( 7.567 -7.413 -3.995) 11.321 7.381 ( -10.763 3.346 -5.022) 12.339 8.274 ( -2.207 9.511 5.656) 11.284 8.833 ( -1.938 -10.155 7.711) 12.898 9.297 ( 3.095 6.048 -10.409) 12.430 9.503 ( -1.414 2.950 3.914) 5.101 10.328 ( 0.087 -3.787 -2.278) 4.420 10.833 ( 10.800 3.500 7.090) 13.385 11.977 ( 3.523 -10.609 -2.909) 11.551 12.382 ( -7.779 -2.823 0.920) 8.327 12.990 ( 4.436 2.938 2.922) 6.070 13.358 ( -4.017 9.624 -2.103) 10.639 13.438 ( -3.558 -1.919 -6.108) 7.325 13.949 ( 13.053 -9.774 5.848) 17.323 14.297 ( 1.310 -2.223 1.270) 2.876 21.426 ( -0.049 -1.012 -2.082) 2.315 22.133 ( 3.028 1.895 -0.471) 3.602 22.238 ( -7.146 -9.242 8.234) 14.292 22.425 ( 0.386 4.159 -1.918) 4.596 22.993 ( -3.946 2.590 -2.302) 5.251 23.710 ( 1.233 -0.463 1.112) 1.724 23.857 ( -1.249 0.907 1.465) 2.128 24.668 ( 12.890 -0.432 -4.378) 13.621 ======================= Grid point 61 (46/131) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -28.681 -15.022 0.000) 32.377 1.666 ( -40.938 7.002 0.000) 41.533 2.492 ( -38.840 -33.005 0.000) 50.970 3.591 ( -0.759 6.456 0.000) 6.500 3.905 ( 1.707 0.744 -0.000) 1.862 3.936 ( -5.630 -5.237 0.000) 7.689 4.914 ( -7.901 -5.646 0.000) 9.711 5.267 ( 4.417 2.228 -0.000) 4.947 5.365 ( 6.422 2.497 -0.000) 6.890 5.851 ( -6.353 -5.894 0.000) 8.666 6.009 ( 9.490 -0.036 -0.000) 9.490 6.250 ( 5.756 1.894 -0.000) 6.060 7.073 ( -1.583 -13.068 -0.000) 13.163 7.408 ( 2.097 12.261 0.000) 12.439 7.763 ( -7.618 -2.354 0.000) 7.974 7.963 ( 20.797 11.156 -0.000) 23.600 8.535 ( 6.725 3.263 -0.000) 7.474 9.342 ( -8.235 0.282 0.000) 8.240 9.439 ( -4.889 -5.707 -0.000) 7.515 10.397 ( 2.855 0.103 -0.000) 2.857 10.793 ( 0.370 14.265 0.000) 14.270 11.878 ( -8.807 -9.319 -0.000) 12.823 12.692 ( 11.163 -0.012 -0.000) 11.163 12.931 ( -1.991 3.292 0.000) 3.847 13.475 ( 1.414 -5.390 -0.000) 5.572 13.816 ( 2.556 3.711 0.000) 4.506 13.832 ( 2.415 1.251 -0.000) 2.720 14.353 ( 4.060 4.075 0.000) 5.752 21.670 ( 3.919 -1.156 -0.000) 4.086 22.109 ( -2.908 5.628 0.000) 6.335 22.200 ( 6.523 -7.277 -0.000) 9.772 22.424 ( -0.658 4.051 0.000) 4.104 22.653 ( -4.905 -4.162 0.000) 6.433 23.669 ( -2.904 -1.168 0.000) 3.130 23.784 ( 1.783 0.992 -0.000) 2.041 25.239 ( 3.523 5.539 0.000) 6.565 ======================= Grid point 65 (47/131) ======================= q-point: ( 0.32 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -6.431 25.493 -0.365) 26.294 2.720 ( -12.132 24.372 10.679) 29.244 3.499 ( -0.071 -5.902 -5.885) 8.335 3.576 ( -0.642 -9.943 -3.248) 10.480 3.927 ( 1.789 -4.327 -0.105) 4.683 4.385 ( 6.381 26.140 9.921) 28.678 4.976 ( 6.487 2.471 -6.135) 9.265 5.127 ( 1.202 -4.487 5.692) 7.347 5.322 ( 3.004 3.089 1.593) 4.594 5.778 ( -1.128 -6.889 -3.645) 7.875 5.890 ( -1.945 9.650 -7.527) 12.392 6.170 ( -1.023 1.361 -8.978) 9.138 6.656 ( -11.805 -7.130 1.171) 13.841 7.092 ( -1.386 -15.852 -1.312) 15.967 7.263 ( 2.938 -8.904 1.546) 9.503 8.273 ( 5.348 13.738 -0.359) 14.747 8.602 ( 7.771 -9.315 11.411) 16.655 9.202 ( -5.237 -2.261 3.102) 6.493 9.806 ( 0.007 9.411 -13.817) 16.717 10.261 ( -0.043 -5.843 4.656) 7.471 11.337 ( 8.624 10.686 -2.083) 13.889 11.762 ( -17.612 -0.366 0.563) 17.625 12.043 ( 1.631 -10.363 3.453) 11.044 13.139 ( -2.212 -2.438 -2.310) 4.022 13.266 ( 6.915 5.073 0.525) 8.592 13.557 ( -0.166 -4.379 -5.825) 7.289 14.115 ( 4.321 -3.063 10.343) 11.620 14.261 ( -4.833 -0.057 -0.806) 4.900 21.585 ( 7.591 -0.572 -0.922) 7.668 21.687 ( -8.273 -5.909 -0.780) 10.196 22.394 ( 3.908 1.589 -0.619) 4.263 22.484 ( 0.739 -0.126 0.045) 0.751 22.830 ( -4.484 4.804 4.947) 8.225 23.751 ( -0.332 0.042 0.048) 0.338 23.782 ( 0.606 1.443 0.831) 1.772 25.096 ( 1.392 -3.570 -5.623) 6.804 ======================= Grid point 66 (48/131) ======================= q-point: (-0.18 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -1.971 -17.286 -22.887) 28.749 1.039 ( 11.262 -27.396 -21.935) 36.859 1.756 ( -5.752 -40.753 -39.972) 57.373 3.596 ( 0.238 -2.312 5.285) 5.774 3.623 ( -0.100 -5.138 6.036) 7.927 4.021 ( -0.114 1.672 -6.345) 6.563 4.706 ( -0.177 -5.008 1.681) 5.286 4.996 ( 0.224 -18.700 17.753) 25.786 5.537 ( -1.959 4.724 3.060) 5.959 5.580 ( 1.962 0.973 3.964) 4.529 5.888 ( -0.258 0.921 8.909) 8.960 6.260 ( 0.048 3.815 9.146) 9.910 7.046 ( 1.539 5.483 -0.899) 5.765 7.337 ( -0.669 -6.104 5.084) 7.972 7.528 ( -0.986 -15.056 5.302) 15.993 8.360 ( -0.011 12.709 6.738) 14.384 9.159 ( 1.931 -1.573 4.666) 5.290 9.194 ( -1.750 -5.057 5.359) 7.573 9.523 ( -0.342 38.298 -34.653) 51.650 10.599 ( 0.035 2.488 -14.242) 14.458 11.109 ( -9.405 2.026 2.360) 9.906 11.504 ( 12.675 -3.511 -3.972) 13.739 12.326 ( -2.393 -40.858 28.110) 49.651 12.851 ( 1.705 6.280 -0.703) 6.545 12.946 ( -1.858 -3.087 -0.633) 3.658 13.752 ( -0.045 1.184 11.536) 11.596 14.548 ( 0.271 4.550 -5.697) 7.296 15.038 ( -0.138 36.364 -28.124) 45.971 21.833 ( -1.991 11.372 -5.012) 12.586 22.048 ( 7.014 3.878 0.441) 8.027 22.358 ( -4.676 0.511 -5.604) 7.317 22.495 ( -1.388 0.482 -0.799) 1.673 22.540 ( 0.968 -3.836 -3.025) 4.980 23.623 ( 0.112 -1.914 -1.808) 2.635 23.820 ( -0.047 0.379 0.717) 0.812 24.776 ( -0.240 -26.137 27.859) 38.201 ======================= Grid point 68 (49/131) ======================= q-point: ( 0.32 -0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -8.136 17.715 4.020) 19.904 2.964 ( -3.828 4.246 2.965) 6.440 3.315 ( -2.798 -6.070 -4.015) 7.797 3.486 ( 4.405 3.741 -0.677) 5.819 3.785 ( -2.694 -6.873 2.998) 7.968 4.612 ( -1.900 -4.924 4.879) 7.188 4.999 ( -2.749 -3.890 7.185) 8.620 5.201 ( 4.010 -3.209 -5.148) 7.272 5.387 ( -0.173 -3.627 -3.955) 5.369 5.755 ( 0.592 3.685 -6.355) 7.370 5.971 ( -3.793 -4.848 -5.351) 8.156 6.077 ( 6.865 1.456 3.011) 7.637 6.503 ( -2.633 5.636 1.388) 6.374 6.790 ( -6.640 -2.078 3.528) 7.801 7.257 ( 5.678 -3.194 -0.369) 6.525 8.490 ( 4.404 -6.180 -1.358) 7.709 8.693 ( 7.367 5.196 0.357) 9.022 9.091 ( -2.043 -1.329 11.783) 12.033 9.813 ( -3.183 -2.651 -13.533) 14.152 10.204 ( -1.297 0.818 4.509) 4.763 11.260 ( -19.257 2.440 -1.651) 19.481 11.773 ( 4.459 6.673 -4.424) 9.164 12.099 ( 9.189 3.131 5.912) 11.366 13.085 ( 1.687 -1.830 -0.051) 2.490 13.365 ( -2.833 -3.570 1.008) 4.668 13.459 ( 5.486 -6.862 -1.601) 8.930 14.140 ( -12.822 7.529 -3.283) 15.228 14.197 ( 3.330 1.900 4.025) 5.559 21.478 ( -3.533 -3.510 -0.656) 5.023 21.854 ( 14.654 4.202 -1.728) 15.342 22.398 ( -5.727 2.190 -3.222) 6.927 22.483 ( 0.136 -2.109 -1.591) 2.646 22.826 ( -1.795 1.949 8.623) 9.021 23.754 ( -1.481 1.417 -1.491) 2.534 23.821 ( 2.091 0.369 1.051) 2.370 24.938 ( -7.171 -6.337 -2.019) 9.781 ======================= Grid point 69 (50/131) ======================= q-point: (-0.68 -0.08 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -4.537 -13.040 -0.088) 13.807 2.845 ( -0.654 8.617 3.739) 9.416 3.205 ( -1.529 -2.172 -2.542) 3.677 3.546 ( -6.644 -7.498 4.271) 10.890 3.854 ( 6.039 11.682 -6.240) 14.556 4.344 ( -6.329 -2.206 7.455) 10.024 4.874 ( -3.495 -1.579 6.208) 7.297 5.110 ( -2.328 -5.488 -4.633) 7.550 5.191 ( 2.379 -13.475 -3.763) 14.192 5.837 ( 7.718 -2.943 -2.401) 8.602 5.892 ( 3.272 -6.712 -2.071) 7.749 6.185 ( 7.372 -4.100 5.031) 9.822 6.676 ( -7.419 15.828 2.135) 17.610 6.729 ( -6.711 5.588 4.196) 9.688 7.313 ( 8.391 -3.982 1.677) 9.438 8.413 ( 4.706 -9.291 -6.319) 12.182 8.851 ( -2.144 5.091 2.302) 5.984 9.055 ( 1.784 -2.495 9.822) 10.289 9.738 ( 0.620 -0.264 -13.356) 13.373 10.218 ( -1.303 3.231 7.469) 8.241 11.026 ( -10.803 5.352 -9.174) 15.150 11.899 ( -4.988 3.899 4.012) 7.495 12.403 ( 8.437 8.306 -0.842) 11.870 13.062 ( -1.217 -2.830 -3.690) 4.807 13.289 ( 4.615 -2.452 6.197) 8.106 13.328 ( 0.483 -12.243 1.547) 12.349 14.052 ( -14.635 10.674 -3.467) 18.443 14.318 ( 0.217 6.217 -0.439) 6.236 21.389 ( -0.853 -1.540 1.208) 2.135 22.113 ( -0.221 -1.418 0.855) 1.671 22.373 ( -1.540 -1.375 0.556) 2.138 22.461 ( 4.249 4.824 -9.056) 11.106 22.903 ( 5.820 5.941 5.749) 10.111 23.734 ( -1.436 -0.227 -0.885) 1.702 23.883 ( 2.029 0.901 -0.819) 2.366 24.592 ( -13.162 -6.914 2.302) 15.044 ======================= Grid point 71 (51/131) ======================= q-point: (-0.18 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 28.776 2.086 -0.358) 28.854 2.448 ( 24.361 7.079 -9.576) 27.116 3.418 ( -0.701 -7.381 2.164) 7.724 3.723 ( 4.343 -2.409 3.167) 5.890 3.858 ( 6.717 11.088 -5.745) 14.179 3.939 ( -1.680 3.371 -3.659) 5.251 5.087 ( -4.617 -4.435 1.092) 6.495 5.108 ( -4.499 9.158 8.956) 13.576 5.402 ( 2.747 8.582 1.925) 9.214 5.566 ( 6.573 -5.902 6.826) 11.164 5.972 ( -4.719 -4.065 2.679) 6.780 6.157 ( 3.978 4.689 -3.069) 6.872 7.023 ( -4.108 -10.716 2.546) 11.756 7.196 ( -18.405 -16.363 4.660) 25.064 7.487 ( 3.778 17.028 9.351) 19.791 8.013 ( 6.259 4.723 -3.224) 8.478 8.642 ( -9.034 2.047 -22.674) 24.493 9.396 ( 11.211 -7.224 8.834) 15.998 9.503 ( -2.024 6.801 5.685) 9.092 10.405 ( -5.750 1.599 -3.665) 7.003 10.599 ( 4.663 -12.192 -4.543) 13.821 12.144 ( 5.907 -1.123 3.156) 6.791 12.447 ( -11.070 1.049 -3.101) 11.544 12.898 ( -0.309 -2.461 -1.275) 2.789 13.319 ( 6.933 3.706 10.614) 13.208 13.645 ( -4.189 3.448 5.730) 7.891 13.961 ( -9.163 -9.752 -11.217) 17.461 14.259 ( -1.785 -4.128 -5.177) 6.858 21.565 ( -4.561 1.988 4.685) 6.834 22.044 ( 2.295 -7.890 -3.849) 9.073 22.301 ( -7.680 10.647 -2.590) 13.381 22.385 ( 3.874 -2.389 1.318) 4.738 22.866 ( 6.388 2.608 -2.965) 7.510 23.706 ( 0.148 -0.961 0.520) 1.102 23.789 ( 0.706 0.730 -2.511) 2.709 24.888 ( -5.623 -8.789 7.785) 13.018 ======================= Grid point 72 (52/131) ======================= q-point: (-0.68 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 5.644 -2.088 -7.082) 9.293 2.977 ( 6.194 -1.258 -0.770) 6.367 3.168 ( 0.522 1.042 -1.149) 1.636 3.291 ( -5.584 -0.492 2.013) 5.956 4.038 ( -0.210 4.717 1.372) 4.917 4.509 ( 1.308 11.473 -5.214) 12.670 4.744 ( -2.948 -2.970 6.046) 7.353 4.888 ( -6.445 -2.793 2.755) 7.545 5.149 ( 12.749 -7.515 3.699) 15.255 5.760 ( 4.234 -13.284 -1.147) 13.989 5.943 ( 11.261 -6.347 -3.255) 13.331 6.238 ( 4.729 -3.303 4.083) 7.067 6.644 ( -7.255 0.867 3.772) 8.223 6.747 ( -11.707 11.201 2.035) 16.330 7.466 ( 9.110 0.731 1.884) 9.332 8.310 ( 3.089 -9.026 -4.059) 10.368 8.815 ( -7.757 1.948 5.581) 9.753 9.100 ( 4.509 0.385 5.700) 7.278 9.823 ( 3.058 3.426 -14.554) 15.262 10.288 ( -1.743 7.735 5.414) 9.601 11.033 ( -1.381 5.440 -13.161) 14.308 11.695 ( -14.392 -2.342 7.897) 16.583 12.694 ( 3.314 5.111 -4.064) 7.323 12.948 ( -1.783 -6.238 0.078) 6.489 13.139 ( 5.039 -4.899 0.712) 7.064 13.376 ( 4.809 -1.378 8.196) 9.602 13.952 ( -13.713 7.560 -2.600) 15.874 14.443 ( -3.202 8.767 -2.937) 9.785 21.368 ( -0.025 -0.069 2.848) 2.849 21.985 ( -3.619 -3.311 0.829) 4.975 22.274 ( -1.975 -2.588 0.840) 3.362 22.572 ( 0.113 0.389 -1.973) 2.014 23.329 ( 10.800 10.559 -10.277) 18.269 23.706 ( 0.013 -1.831 -1.641) 2.459 23.893 ( 0.083 -0.913 -0.648) 1.123 24.259 ( -9.461 0.961 10.838) 14.418 ======================= Grid point 73 (53/131) ======================= q-point: (-0.68 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 13.481 6.533 -14.095) 20.569 3.078 ( 9.406 -3.260 -3.915) 10.697 3.244 ( 1.346 2.973 -1.490) 3.587 3.383 ( 4.477 7.057 1.980) 8.589 3.931 ( -13.633 -3.390 4.288) 14.688 4.527 ( -5.076 7.699 -2.058) 9.448 4.775 ( 4.194 1.684 9.400) 10.429 4.967 ( 3.434 2.396 4.721) 6.310 5.289 ( 7.932 -0.345 0.506) 7.956 5.586 ( 3.306 -9.297 -1.995) 10.067 6.027 ( 12.852 -8.260 -4.116) 15.822 6.245 ( 6.387 -6.416 1.906) 9.252 6.517 ( -6.720 1.307 1.720) 7.058 6.731 ( -9.432 9.841 1.396) 13.702 7.601 ( 1.869 -1.509 -5.475) 5.979 8.217 ( 5.459 -6.694 7.726) 11.589 8.658 ( -11.133 1.364 3.363) 11.709 9.190 ( 4.953 -1.712 6.347) 8.231 9.919 ( 0.314 2.155 -15.371) 15.524 10.404 ( -4.302 4.117 1.708) 6.195 11.080 ( -5.417 8.353 -7.328) 12.361 11.503 ( -0.027 2.359 4.542) 5.118 12.551 ( -3.638 -11.195 -3.613) 12.313 12.980 ( 2.250 3.759 1.666) 4.687 13.253 ( 6.132 -0.390 3.210) 6.932 13.406 ( 4.386 -3.233 4.564) 7.108 13.854 ( -9.578 7.832 -0.763) 12.395 14.497 ( -6.949 6.073 -3.920) 10.027 21.382 ( -0.017 1.753 2.207) 2.818 21.872 ( 2.392 -7.448 2.150) 8.113 22.233 ( -2.855 3.827 -0.222) 4.780 22.548 ( -0.938 -1.300 -0.464) 1.669 23.360 ( -6.764 -7.330 -9.940) 14.082 23.654 ( -0.084 0.855 0.697) 1.106 23.931 ( -1.333 -0.038 -2.287) 2.647 24.438 ( 8.522 14.619 9.006) 19.169 ======================= Grid point 74 (54/131) ======================= q-point: (-0.18 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 17.943 -6.197 -1.680) 19.058 3.088 ( 14.473 10.552 0.395) 17.915 3.234 ( -0.483 -6.957 0.997) 7.045 3.356 ( -8.750 -12.951 7.154) 17.189 3.947 ( -12.803 -0.468 -3.024) 13.164 3.981 ( 3.132 -7.093 -5.372) 9.433 4.893 ( -5.402 -3.595 -0.177) 6.491 5.042 ( -3.340 0.733 2.637) 4.318 5.615 ( 1.088 9.653 6.571) 11.728 5.893 ( 0.510 9.796 -3.291) 10.347 5.950 ( 13.996 4.224 -0.119) 14.620 6.339 ( 6.986 1.640 0.376) 7.186 6.592 ( -12.725 -10.731 1.132) 16.684 6.733 ( -8.152 -6.292 0.375) 10.305 7.787 ( 0.724 8.085 12.318) 14.752 8.177 ( 4.544 -1.569 -3.716) 6.076 8.623 ( -6.182 10.989 -17.035) 21.193 9.359 ( 3.521 -11.153 7.844) 14.082 9.584 ( 0.687 3.543 3.073) 4.740 10.246 ( -1.864 -12.039 -0.991) 12.222 10.650 ( 8.430 7.234 -3.989) 11.803 11.974 ( -11.661 -5.383 4.313) 13.548 12.454 ( 4.331 2.344 -1.339) 5.103 12.839 ( -0.213 -2.804 -2.874) 4.021 13.425 ( 3.503 -2.211 2.520) 4.848 13.614 ( -8.981 -4.364 -1.122) 10.048 13.714 ( -2.109 6.515 1.519) 7.014 14.175 ( 2.612 -5.813 -2.766) 6.947 21.533 ( -4.474 3.935 3.780) 7.056 21.910 ( -0.113 -7.242 -4.423) 8.487 22.362 ( -4.541 7.786 -0.487) 9.027 22.465 ( 4.387 0.530 1.069) 4.547 23.079 ( 10.734 3.305 -1.292) 11.305 23.682 ( -1.559 0.520 -0.788) 1.823 23.820 ( 2.202 -0.978 -1.344) 2.759 24.497 ( -10.895 -13.443 3.930) 17.744 ======================= Grid point 75 (55/131) ======================= q-point: (-0.18 -0.08 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 2.751 0.639 -1.687) 3.290 2.960 ( -3.462 -9.611 -0.797) 10.247 3.046 ( 0.611 -6.362 2.948) 7.038 3.187 ( -5.391 -10.705 5.005) 12.989 3.843 ( 7.894 4.867 -4.328) 10.234 4.031 ( 2.678 -2.725 1.787) 4.219 4.793 ( -0.388 0.933 -1.224) 1.587 4.897 ( -6.143 -3.649 -0.425) 7.158 5.840 ( -0.147 9.889 -2.523) 10.207 6.058 ( -2.819 7.806 3.339) 8.946 6.245 ( -3.554 -5.164 -3.629) 7.243 6.307 ( 5.705 5.732 -0.067) 8.088 6.442 ( -1.948 -2.715 2.151) 3.974 6.524 ( 0.050 -1.438 -1.569) 2.129 7.867 ( -7.759 7.153 3.110) 11.002 8.193 ( 9.665 -7.767 0.400) 12.406 8.740 ( -5.355 10.962 -4.375) 12.961 9.168 ( 0.905 -10.234 1.865) 10.442 9.673 ( 2.565 2.085 1.948) 3.836 9.965 ( 0.800 -12.351 -0.181) 12.378 11.105 ( 11.046 14.507 0.406) 18.238 11.587 ( -13.387 -7.158 -1.012) 15.214 12.602 ( 3.987 1.266 4.047) 5.820 12.762 ( 2.392 -5.631 -2.557) 6.630 13.390 ( -2.780 -0.137 -0.799) 2.895 13.453 ( -0.982 -1.873 -1.597) 2.650 13.812 ( -3.576 7.649 0.192) 8.446 14.116 ( 4.795 -7.523 0.714) 8.950 21.542 ( -4.685 5.666 0.164) 7.353 21.791 ( 3.119 -6.505 -0.927) 7.273 22.424 ( -2.719 5.527 -0.485) 6.179 22.529 ( 1.970 -0.686 0.734) 2.211 23.434 ( 10.146 7.710 3.075) 13.109 23.667 ( -0.121 0.295 -3.714) 3.727 23.831 ( 2.438 -2.379 0.130) 3.409 23.984 ( -10.593 -13.289 0.938) 17.021 ======================= Grid point 76 (56/131) ======================= q-point: ( 0.32 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -7.711 -8.360 -7.877) 13.834 3.162 ( -7.943 5.659 -1.358) 9.847 3.371 ( 8.539 -1.102 -5.880) 10.426 3.435 ( 0.761 -0.117 -0.716) 1.051 3.756 ( 3.812 -0.017 4.686) 6.041 4.724 ( 7.624 -2.236 6.762) 10.433 4.783 ( -16.093 9.208 2.837) 18.757 4.970 ( 5.071 5.241 6.611) 9.843 5.395 ( -3.830 0.500 -4.041) 5.590 5.600 ( 7.370 0.840 1.685) 7.607 6.108 ( 5.289 -7.842 0.303) 9.464 6.189 ( -2.431 -1.663 -10.587) 10.989 6.552 ( 10.032 1.627 -0.537) 10.177 6.829 ( 4.540 5.697 1.783) 7.499 7.403 ( -7.265 -10.922 -9.112) 15.972 8.311 ( 8.013 2.016 17.304) 19.176 8.455 ( -12.055 2.553 0.611) 12.338 9.223 ( 4.550 -4.187 4.172) 7.459 9.917 ( -2.508 0.217 -14.829) 15.041 10.273 ( -4.440 -2.333 1.855) 5.348 11.254 ( -9.138 18.610 -0.691) 20.744 11.681 ( 13.210 -0.285 -1.194) 13.267 12.235 ( -3.575 -13.975 0.148) 14.426 13.095 ( 2.255 2.669 -1.088) 3.659 13.244 ( -0.257 -1.839 5.211) 5.532 13.486 ( 5.386 -1.200 -1.519) 5.723 13.928 ( -1.054 9.565 4.202) 10.500 14.407 ( -7.103 -0.305 -3.411) 7.886 21.448 ( 0.385 4.789 0.423) 4.823 21.770 ( 5.219 -10.378 1.169) 11.676 22.304 ( -2.322 7.582 0.424) 7.941 22.500 ( -0.946 -1.171 -0.530) 1.596 23.065 ( -6.600 -7.244 -1.743) 9.954 23.700 ( 0.884 2.276 0.707) 2.542 23.858 ( -2.627 -1.965 -0.548) 3.326 24.872 ( 7.419 10.163 0.264) 12.585 ======================= Grid point 78 (57/131) ======================= q-point: (-0.18 -0.08 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -7.575 -7.722 -2.815) 11.177 2.821 ( 1.031 7.252 -3.633) 8.177 3.095 ( 8.175 -2.163 1.649) 8.615 3.225 ( 13.490 6.953 6.117) 16.363 3.868 ( -4.530 -11.127 -4.072) 12.685 4.007 ( 2.744 2.135 1.720) 3.879 4.808 ( 1.218 1.196 -1.821) 2.496 4.927 ( 5.676 4.683 1.817) 7.580 5.861 ( -8.493 -6.756 -1.670) 10.980 5.972 ( -9.357 12.608 -0.869) 15.725 6.287 ( -1.188 -2.700 -1.709) 3.409 6.297 ( -3.524 -0.704 -1.000) 3.730 6.409 ( 2.867 -1.255 1.950) 3.687 6.559 ( 2.913 0.662 -0.179) 2.992 7.800 ( -10.721 6.062 0.513) 12.327 8.271 ( 12.259 -7.540 3.212) 14.747 8.857 ( -4.364 11.221 1.289) 12.109 9.044 ( 3.421 -7.155 -4.078) 8.918 9.713 ( -0.441 -0.490 4.632) 4.679 9.913 ( 9.014 -1.946 -3.044) 9.710 11.073 ( -15.078 -7.129 -0.698) 16.693 11.647 ( 10.649 8.309 1.095) 13.551 12.497 ( -6.628 -2.683 -0.605) 7.176 12.869 ( 11.180 -2.828 2.374) 11.774 13.389 ( -1.436 -0.663 -1.604) 2.253 13.431 ( 1.367 4.208 -1.653) 4.723 13.845 ( -5.588 4.306 1.194) 7.155 14.089 ( 5.879 -5.377 -0.249) 7.971 21.548 ( -4.820 4.668 0.348) 6.718 21.818 ( 8.825 -3.093 0.042) 9.351 22.455 ( -2.698 1.655 0.084) 3.166 22.530 ( 0.873 -1.361 1.536) 2.230 23.255 ( -17.121 -5.770 -4.018) 18.508 23.751 ( -1.666 -0.287 1.002) 1.965 23.805 ( 3.754 -3.785 -1.715) 5.600 24.049 ( 17.381 8.448 2.963) 19.552 ======================= Grid point 79 (58/131) ======================= q-point: (-0.18 -0.08 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -11.121 -10.608 -7.188) 16.966 3.016 ( -7.078 -3.480 -3.024) 8.447 3.248 ( 0.750 -4.005 4.009) 5.716 3.317 ( 10.064 4.545 3.070) 11.462 3.847 ( 1.206 7.844 -8.166) 11.387 4.229 ( 16.054 1.390 1.928) 16.228 4.922 ( 4.326 3.426 -0.855) 5.584 5.110 ( 5.978 2.257 6.376) 9.027 5.594 ( -7.051 -3.657 3.423) 8.649 5.879 ( -12.904 -2.054 3.347) 13.488 6.041 ( -4.731 -11.198 -1.082) 12.204 6.191 ( -3.893 -0.888 -5.723) 6.979 6.590 ( 9.055 10.310 0.893) 13.751 6.666 ( -0.990 7.117 1.505) 7.342 7.702 ( -9.293 3.515 2.987) 10.375 8.330 ( 7.930 -8.583 4.256) 12.436 8.947 ( 2.803 -8.683 -13.851) 16.586 9.006 ( -4.395 10.741 3.245) 12.050 9.709 ( 2.367 -2.457 8.549) 9.204 10.134 ( 7.519 6.024 -5.115) 10.908 10.709 ( -3.399 -8.501 -4.643) 10.265 11.891 ( -0.975 6.798 9.097) 11.398 12.365 ( -5.400 1.621 -7.904) 9.709 13.010 ( 10.446 -3.910 1.559) 11.262 13.328 ( -3.166 -0.093 1.302) 3.425 13.644 ( 7.758 5.621 -1.098) 9.643 13.781 ( -4.864 1.342 5.706) 7.617 14.128 ( 4.024 -0.742 -6.368) 7.569 21.565 ( -2.004 4.184 4.441) 6.422 21.953 ( 8.960 -3.508 -1.496) 9.738 22.322 ( -9.218 -1.031 2.275) 9.551 22.533 ( 1.229 -0.912 0.633) 1.656 22.925 ( -8.156 -0.943 -9.322) 12.422 23.716 ( -0.672 -0.991 1.514) 1.930 23.808 ( 1.443 -1.183 -2.505) 3.123 24.552 ( 15.350 7.845 5.693) 18.154 ======================= Grid point 81 (59/131) ======================= q-point: ( 0.32 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -5.831 25.439 8.847) 27.557 1.959 ( -16.123 23.493 13.060) 31.344 3.397 ( -30.741 19.339 11.453) 38.082 3.454 ( 2.546 -2.470 -2.154) 4.150 3.837 ( 2.337 0.602 -5.274) 5.800 4.004 ( -1.571 -1.812 4.253) 4.883 5.023 ( -8.144 8.656 -4.734) 12.794 5.194 ( -0.621 -3.981 -3.583) 5.392 5.318 ( -2.580 1.074 -3.581) 4.543 5.591 ( 4.703 -2.021 -15.471) 16.295 6.062 ( 3.421 -2.728 -7.242) 8.461 6.115 ( -0.755 -0.153 2.953) 3.051 7.014 ( 11.344 4.463 -2.756) 12.498 7.363 ( -1.726 -0.164 -4.770) 5.076 7.614 ( 7.946 -15.536 -3.520) 17.801 7.923 ( -6.890 3.170 2.514) 7.990 8.835 ( -0.037 -10.125 22.307) 24.498 9.205 ( 4.509 7.504 -6.248) 10.755 9.501 ( -7.735 2.231 -7.654) 11.108 10.517 ( 1.296 -1.542 10.421) 10.613 10.601 ( 5.388 -9.367 0.868) 10.841 11.956 ( 1.495 12.364 0.107) 12.455 12.587 ( 9.751 -2.798 1.803) 10.304 12.970 ( -6.229 -5.648 -0.982) 8.466 13.160 ( -6.587 8.673 -15.627) 19.047 13.699 ( -0.252 -1.436 -7.798) 7.933 14.147 ( 11.335 -9.243 12.601) 19.305 14.342 ( 5.042 -6.247 11.193) 13.775 21.641 ( -0.574 -3.042 -5.721) 6.505 21.979 ( 6.638 4.308 2.434) 8.279 22.340 ( 3.771 0.001 -0.001) 3.771 22.437 ( -7.115 -5.410 3.833) 9.726 22.758 ( -3.131 4.716 4.923) 7.502 23.686 ( -0.186 1.321 -0.424) 1.400 23.794 ( -0.353 -0.756 2.015) 2.180 24.988 ( 2.789 -4.432 -12.026) 13.117 ======================= Grid point 82 (60/131) ======================= q-point: (-0.18 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -12.177 -13.804 -11.920) 21.929 2.366 ( -17.046 -22.756 -8.284) 29.615 3.406 ( 7.378 1.373 1.826) 7.724 3.624 ( 3.012 6.762 8.156) 11.015 3.977 ( 0.991 4.281 -7.086) 8.338 4.108 ( -5.782 -26.315 -6.952) 27.825 5.061 ( 0.333 2.067 3.129) 3.765 5.311 ( -8.106 -3.366 -3.739) 9.540 5.385 ( 6.100 -3.099 14.697) 16.212 5.524 ( -3.221 -3.289 11.205) 12.114 5.964 ( 2.344 4.261 4.040) 6.322 6.116 ( -2.568 0.814 -6.075) 6.646 6.792 ( -3.425 10.418 1.271) 11.040 7.133 ( 12.293 18.354 4.416) 22.528 7.573 ( -5.001 0.808 0.590) 5.100 8.161 ( -1.180 -14.481 2.583) 14.757 8.885 ( 5.856 -4.236 -20.721) 21.946 9.092 ( -4.775 6.844 5.470) 9.978 9.649 ( -0.398 -6.836 10.213) 12.296 10.390 ( 2.307 8.220 -6.084) 10.483 10.647 ( 12.475 -6.412 -5.343) 15.010 11.896 ( -10.283 3.909 4.957) 12.067 12.380 ( -2.552 9.779 -5.894) 11.699 13.104 ( 7.394 -6.004 2.359) 9.812 13.242 ( -4.321 -2.528 7.579) 9.083 13.697 ( -2.212 1.048 5.745) 6.245 13.963 ( 8.601 7.112 -2.814) 11.510 14.240 ( 4.324 4.510 -11.934) 13.470 21.627 ( 0.662 2.936 6.934) 7.559 21.919 ( -4.541 -1.568 -1.371) 4.996 22.269 ( 1.511 3.304 -0.501) 3.667 22.528 ( 1.281 -2.257 -1.006) 2.784 22.806 ( -3.802 -1.575 -8.700) 9.625 23.692 ( -0.233 -0.560 1.473) 1.592 23.807 ( 0.418 -0.817 -2.754) 2.903 24.924 ( 9.859 3.752 9.188) 13.989 ======================= Grid point 85 (61/131) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.157 31.686 0.000) 31.687 1.386 ( -29.530 33.023 0.000) 44.300 2.380 ( 17.655 56.043 0.000) 58.758 3.688 ( -0.404 1.406 0.000) 1.463 3.832 ( -0.810 7.775 0.000) 7.817 3.920 ( 0.163 -2.828 -0.000) 2.832 4.859 ( -0.150 7.470 0.000) 7.472 5.296 ( 0.296 -4.356 -0.000) 4.366 5.430 ( 2.617 -8.678 -0.000) 9.064 5.744 ( -3.206 4.843 0.000) 5.809 6.001 ( 3.725 -0.029 -0.000) 3.725 6.250 ( -1.643 -5.655 -0.000) 5.889 6.908 ( -3.249 -7.355 -0.000) 8.041 7.531 ( -1.529 0.325 0.000) 1.563 7.800 ( 4.556 6.065 0.000) 7.585 8.046 ( -2.066 -22.795 -0.000) 22.889 8.645 ( 5.955 -1.817 -0.000) 6.226 9.251 ( -6.008 1.081 0.000) 6.105 9.440 ( 3.242 11.474 0.000) 11.923 10.403 ( 0.225 -2.791 -0.000) 2.800 11.123 ( 14.715 1.085 -0.000) 14.755 11.543 ( -20.196 4.798 0.000) 20.758 12.644 ( -2.927 -13.190 -0.000) 13.511 13.025 ( 4.199 5.459 0.000) 6.887 13.384 ( -1.603 -3.201 -0.000) 3.580 13.840 ( -0.406 -3.009 -0.000) 3.036 13.900 ( 3.143 0.205 -0.000) 3.149 14.383 ( -1.065 -5.219 -0.000) 5.327 21.682 ( 2.105 -2.666 -0.000) 3.397 21.953 ( -8.213 -5.905 0.000) 10.116 22.327 ( 8.056 1.983 -0.000) 8.296 22.476 ( -0.880 -0.211 0.000) 0.905 22.575 ( -1.344 3.862 0.000) 4.089 23.655 ( -0.174 3.020 0.000) 3.025 23.798 ( 0.267 -1.483 -0.000) 1.507 25.320 ( 1.331 -2.050 -0.000) 2.445 ======================= Grid point 86 (62/131) ======================= q-point: (-0.40 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.545 -21.653 -14.394) 26.007 2.512 ( 7.758 -24.184 -14.393) 29.193 3.412 ( 0.168 -1.157 5.109) 5.241 3.632 ( 3.123 0.269 6.600) 7.307 3.981 ( -2.870 3.489 -1.450) 4.745 4.094 ( -8.459 -30.383 -20.341) 37.529 4.725 ( -3.043 -0.441 10.236) 10.688 5.171 ( 1.427 -7.487 11.949) 14.173 5.279 ( -2.099 3.307 0.034) 3.917 5.512 ( 4.105 -6.523 0.031) 7.708 5.791 ( 4.410 0.878 8.240) 9.387 5.951 ( -2.905 -4.449 6.047) 8.050 6.849 ( 7.983 7.120 -1.368) 10.784 7.214 ( -2.391 6.613 7.451) 10.245 7.587 ( -4.863 16.238 0.214) 16.952 7.991 ( -0.727 -12.437 1.162) 12.512 8.939 ( 1.336 7.662 1.367) 7.896 9.253 ( -2.132 -5.367 10.870) 12.309 9.458 ( -1.177 0.235 -15.062) 15.110 10.556 ( -3.284 10.997 -3.280) 11.936 11.171 ( -5.950 -5.102 -6.070) 9.913 11.787 ( 16.253 -4.023 -4.325) 17.293 12.339 ( -1.302 14.176 1.572) 14.323 12.954 ( 2.178 -11.784 4.172) 12.689 13.153 ( -5.329 -5.906 -0.163) 7.957 13.435 ( -0.515 1.347 10.840) 10.935 14.320 ( 4.787 9.333 -2.464) 10.775 14.609 ( -4.091 13.199 -11.430) 17.934 21.591 ( -5.287 3.087 1.387) 6.278 21.794 ( 11.698 6.881 0.713) 13.591 22.407 ( -1.005 0.173 -2.586) 2.780 22.483 ( -2.812 0.501 0.083) 2.857 22.885 ( -3.532 -3.421 -7.469) 8.942 23.742 ( 2.729 -0.866 -0.810) 2.976 23.808 ( -2.584 -0.051 -1.599) 3.039 24.851 ( 0.525 -7.242 13.394) 15.235 ======================= Grid point 87 (63/131) ======================= q-point: (-0.40 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 7.427 -16.878 -19.306) 26.697 2.144 ( 4.613 -24.480 -15.812) 29.505 3.344 ( 8.631 -11.730 -10.766) 18.111 3.473 ( 0.764 -16.967 -11.293) 20.396 3.636 ( 4.281 -5.131 10.357) 12.326 4.091 ( 0.396 7.295 -6.705) 9.916 4.715 ( 3.717 -1.897 8.043) 9.061 5.021 ( 1.467 -8.431 9.825) 13.029 5.333 ( -4.765 -1.155 -1.505) 5.129 5.410 ( -1.970 4.669 7.825) 9.323 5.848 ( 3.801 -5.537 8.589) 10.903 5.957 ( 6.378 -0.173 10.404) 12.205 7.066 ( -0.655 -1.521 2.797) 3.250 7.196 ( 1.943 2.376 5.739) 6.508 7.629 ( -6.032 3.432 4.863) 8.474 7.937 ( 0.133 2.894 0.228) 2.906 9.063 ( -1.280 -2.806 6.181) 6.908 9.129 ( 2.457 1.195 7.751) 8.218 9.541 ( -4.664 11.224 -20.857) 24.140 10.666 ( -5.413 9.794 1.603) 11.305 10.958 ( -7.115 0.453 -17.689) 19.071 11.966 ( 7.279 -7.189 -3.045) 10.675 12.560 ( 8.146 -4.739 8.536) 12.716 12.759 ( 0.158 -4.262 2.161) 4.781 12.973 ( -1.720 -2.175 -1.107) 2.985 13.455 ( 1.003 -0.186 12.765) 12.806 14.517 ( -4.623 7.703 -5.900) 10.748 14.776 ( -9.932 17.742 -9.773) 22.560 21.597 ( -4.272 6.415 2.007) 7.964 22.091 ( -0.229 -1.113 1.119) 1.595 22.377 ( -0.048 3.317 -1.972) 3.859 22.461 ( 0.221 3.427 -4.586) 5.729 22.812 ( 4.530 -3.003 -8.230) 9.863 23.715 ( -1.139 -1.884 -1.985) 2.964 23.803 ( 1.025 -0.186 0.154) 1.053 24.665 ( 0.610 -9.311 16.659) 19.094 ======================= Grid point 88 (64/131) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -10.658 28.397 0.000) 30.331 1.976 ( 10.709 29.269 0.000) 31.166 3.588 ( -8.141 -0.443 0.000) 8.153 3.699 ( 11.131 27.221 0.000) 29.409 3.885 ( 5.034 10.370 0.000) 11.528 3.903 ( -2.808 -3.943 -0.000) 4.840 5.061 ( 5.702 6.979 0.000) 9.012 5.171 ( -2.513 -7.600 -0.000) 8.005 5.395 ( 6.440 2.344 -0.000) 6.853 5.844 ( 3.482 3.963 0.000) 5.276 6.013 ( -0.399 -8.917 -0.000) 8.926 6.117 ( -8.142 -1.114 0.000) 8.218 6.723 ( 2.408 -9.870 -0.000) 10.160 7.421 ( 2.323 -3.265 -0.000) 4.007 7.437 ( -9.794 -24.740 -0.000) 26.608 8.121 ( 5.871 14.777 0.000) 15.901 8.708 ( 1.497 -0.464 -0.000) 1.567 9.124 ( -3.222 -3.805 -0.000) 4.986 9.755 ( 2.335 12.054 0.000) 12.278 10.322 ( -0.163 -5.873 -0.000) 5.875 10.976 ( -24.160 5.418 0.000) 24.760 11.673 ( 14.958 4.021 -0.000) 15.489 12.305 ( -0.576 -15.878 -0.000) 15.889 13.214 ( -0.080 7.901 0.000) 7.901 13.307 ( 2.590 -6.147 -0.000) 6.670 13.744 ( -0.652 -4.608 -0.000) 4.654 13.981 ( 1.092 3.930 0.000) 4.079 14.185 ( -7.075 -6.386 0.000) 9.531 21.731 ( -1.704 -7.273 -0.000) 7.470 21.764 ( 7.751 1.973 -0.000) 7.998 22.375 ( -7.829 0.303 0.000) 7.834 22.488 ( 3.737 2.566 -0.000) 4.533 22.644 ( 1.996 0.506 -0.000) 2.059 23.712 ( 0.155 2.265 0.000) 2.271 23.777 ( -0.195 -0.376 -0.000) 0.424 25.212 ( -6.505 -3.901 0.000) 7.585 ======================= Grid point 89 (65/131) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 2.086 21.024 0.000) 21.127 2.741 ( 12.642 20.748 0.000) 24.296 3.381 ( -7.014 -4.060 0.000) 8.104 3.593 ( -11.481 -7.190 0.000) 13.547 3.733 ( 2.324 -6.137 -0.000) 6.563 4.479 ( -5.844 11.874 0.000) 13.235 4.970 ( -2.480 -6.818 -0.000) 7.255 5.261 ( 2.569 -1.090 -0.000) 2.790 5.674 ( 12.573 0.684 -0.000) 12.592 5.675 ( -11.991 -2.076 0.000) 12.170 6.005 ( 0.473 5.800 0.000) 5.819 6.009 ( 4.486 4.835 0.000) 6.596 6.614 ( 4.555 -8.850 -0.000) 9.953 6.792 ( -9.993 -16.995 -0.000) 19.715 7.522 ( 10.681 -4.740 -0.000) 11.685 8.576 ( 7.715 15.636 0.000) 17.436 8.673 ( -7.317 3.201 0.000) 7.987 8.983 ( 1.945 -9.559 -0.000) 9.755 9.930 ( -2.962 5.776 0.000) 6.491 10.146 ( -3.171 -8.151 -0.000) 8.746 10.734 ( -12.674 9.276 0.000) 15.706 12.033 ( 10.903 6.013 -0.000) 12.451 12.043 ( 1.088 -11.106 -0.000) 11.159 13.247 ( -8.821 3.716 0.000) 9.572 13.260 ( 4.434 -4.962 -0.000) 6.655 13.710 ( 3.858 -1.080 -0.000) 4.006 13.871 ( -10.216 -7.559 0.000) 12.709 14.086 ( -0.818 5.865 0.000) 5.922 21.582 ( 1.020 -7.312 -0.000) 7.383 22.069 ( 9.076 10.240 0.000) 13.683 22.206 ( -6.974 -1.498 0.000) 7.133 22.576 ( 0.331 2.183 0.000) 2.208 22.663 ( 3.683 -3.187 -0.000) 4.870 23.742 ( -0.010 0.623 0.000) 0.623 23.787 ( -0.471 2.159 0.000) 2.210 24.909 ( -13.132 -6.906 0.000) 14.838 ======================= Grid point 90 (66/131) ======================= q-point: (-0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 13.953 -4.387 -24.140) 28.226 1.984 ( 19.965 -8.352 -20.569) 29.857 3.366 ( 10.161 -6.595 -4.338) 12.867 3.446 ( 8.329 1.652 3.096) 9.038 3.701 ( 17.526 -7.483 -6.513) 20.139 4.155 ( -2.036 -1.353 -8.443) 8.790 4.778 ( 4.065 -3.633 5.785) 7.949 4.962 ( 7.885 -1.948 14.739) 16.829 5.297 ( -1.390 5.388 2.708) 6.189 5.424 ( -5.004 2.452 3.511) 6.587 5.795 ( 2.284 -6.049 9.945) 11.863 5.994 ( 2.233 -4.516 8.965) 10.284 6.906 ( -7.021 0.367 2.281) 7.391 7.293 ( 0.371 0.298 6.444) 6.462 7.733 ( 5.623 5.457 4.111) 8.849 7.900 ( -6.092 -1.331 1.584) 6.434 8.997 ( -1.872 0.721 5.333) 5.697 9.202 ( 4.648 -2.343 9.366) 10.715 9.563 ( -10.143 4.737 -22.089) 24.764 10.766 ( -7.378 4.972 -3.025) 9.397 10.992 ( 2.065 12.399 -13.230) 18.249 11.718 ( -2.684 -12.637 -3.002) 13.263 12.589 ( -1.392 -5.769 5.195) 7.887 12.714 ( 8.028 -0.933 3.287) 8.725 13.066 ( 6.513 1.187 -0.052) 6.621 13.459 ( 0.836 -1.277 13.192) 13.280 14.453 ( -12.850 5.627 -5.654) 15.125 14.833 ( -13.174 8.991 -10.288) 18.980 21.652 ( -4.743 7.533 1.046) 8.963 21.870 ( -7.465 -5.265 1.777) 9.306 22.399 ( -2.158 3.076 -1.676) 4.114 22.536 ( 0.026 -1.019 -0.504) 1.137 22.905 ( 6.268 -4.595 -13.878) 15.906 23.690 ( 0.076 0.997 -1.421) 1.737 23.823 ( 1.787 -0.721 -0.523) 1.997 24.650 ( 8.807 -0.697 18.843) 20.812 ======================= Grid point 92 (67/131) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 5.488 16.002 0.000) 16.917 2.828 ( -4.013 -12.677 -0.000) 13.297 3.262 ( -6.365 -1.586 0.000) 6.560 3.562 ( -7.267 -10.210 -0.000) 12.532 3.664 ( 5.672 23.139 0.000) 23.824 4.169 ( -12.176 -6.430 0.000) 13.770 4.810 ( -2.175 -4.744 -0.000) 5.219 5.114 ( -8.425 -4.953 0.000) 9.773 5.717 ( 3.679 8.419 0.000) 9.188 5.744 ( 11.733 -16.085 -0.000) 19.909 6.200 ( 4.269 3.678 -0.000) 5.635 6.227 ( 3.446 3.981 0.000) 5.265 6.498 ( -4.301 0.798 0.000) 4.375 6.550 ( 2.988 -4.221 -0.000) 5.172 7.597 ( 10.250 -7.286 -0.000) 12.576 8.573 ( -11.866 6.351 0.000) 13.458 8.816 ( 3.234 -12.301 -0.000) 12.719 8.932 ( 4.114 7.259 0.000) 8.344 9.925 ( -4.300 3.587 0.000) 5.600 9.948 ( -6.290 -0.901 0.000) 6.355 10.850 ( 4.711 9.390 0.000) 10.505 11.832 ( -5.612 -8.709 -0.000) 10.360 12.348 ( 7.016 8.120 0.000) 10.731 13.115 ( -8.696 2.716 0.000) 9.110 13.290 ( 4.840 -1.840 -0.000) 5.178 13.511 ( -7.779 -9.432 -0.000) 12.226 13.779 ( 2.061 0.205 -0.000) 2.071 14.171 ( -2.989 6.679 0.000) 7.317 21.482 ( 2.537 -6.313 -0.000) 6.803 22.011 ( -10.207 1.620 0.000) 10.335 22.395 ( 3.846 0.771 -0.000) 3.922 22.593 ( -1.507 1.152 0.000) 1.896 22.838 ( 16.798 6.828 -0.000) 18.132 23.744 ( 0.500 -0.478 -0.000) 0.692 23.836 ( -1.477 4.308 0.000) 4.554 24.438 ( -17.637 -9.283 0.000) 19.931 ======================= Grid point 93 (68/131) ======================= q-point: ( 0.10 0.90 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 3.723 -0.896 -0.000) 3.829 2.845 ( 4.961 11.633 0.000) 12.647 3.194 ( -1.657 5.131 0.000) 5.392 3.197 ( -8.497 -1.162 0.000) 8.576 3.970 ( -5.689 -3.266 0.000) 6.560 4.146 ( -3.787 16.896 0.000) 17.315 4.741 ( 5.074 -1.218 -0.000) 5.218 4.821 ( -5.739 -6.797 -0.000) 8.896 5.674 ( 12.106 -13.952 -0.000) 18.472 5.972 ( 6.625 2.714 -0.000) 7.160 6.205 ( -0.433 -3.325 -0.000) 3.353 6.294 ( 4.318 -1.509 -0.000) 4.574 6.465 ( -5.158 1.929 0.000) 5.507 6.553 ( -0.125 -0.883 -0.000) 0.892 7.685 ( 10.894 -4.575 -0.000) 11.815 8.459 ( -12.788 6.447 0.000) 14.321 8.630 ( 2.395 -12.516 -0.000) 12.743 9.100 ( 5.038 3.651 -0.000) 6.222 9.853 ( -9.058 5.626 0.000) 10.663 9.988 ( -1.240 9.493 0.000) 9.573 11.225 ( 15.730 6.095 -0.000) 16.870 11.416 ( -15.161 -11.913 0.000) 19.281 12.623 ( 3.496 8.584 0.000) 9.269 12.946 ( -12.377 -1.297 0.000) 12.445 13.320 ( 3.411 -3.089 -0.000) 4.601 13.357 ( 3.910 -0.097 -0.000) 3.911 13.771 ( -0.197 -2.891 -0.000) 2.898 14.237 ( -4.816 7.698 0.000) 9.080 21.435 ( 4.142 -5.045 -0.000) 6.527 21.887 ( -6.053 2.726 0.000) 6.638 22.366 ( 1.939 -6.006 -0.000) 6.312 22.576 ( -1.654 0.476 0.000) 1.721 23.413 ( 13.848 11.675 -0.000) 18.113 23.798 ( 6.044 3.964 -0.000) 7.228 23.862 ( -13.952 0.962 0.000) 13.986 23.898 ( -8.086 -6.147 0.000) 10.157 ======================= Grid point 96 (69/131) ======================= q-point: ( 0.60 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -13.402 -5.621 11.488) 18.525 3.009 ( 8.040 3.075 4.886) 9.898 3.234 ( 0.380 -2.799 1.365) 3.137 3.482 ( -4.657 -3.905 -5.294) 8.060 3.798 ( 3.905 1.723 3.380) 5.445 4.452 ( 4.009 -18.556 -2.437) 19.140 5.008 ( -0.841 -3.727 -3.107) 4.924 5.057 ( 4.194 -5.642 -4.222) 8.200 5.336 ( 5.174 13.489 -1.749) 14.553 5.700 ( -9.581 3.199 -0.828) 10.135 6.061 ( 6.116 5.287 4.689) 9.346 6.260 ( -3.870 6.096 1.620) 7.400 6.505 ( -2.783 0.059 0.191) 2.790 6.687 ( -3.996 -8.354 0.783) 9.293 7.456 ( 3.996 9.568 3.713) 11.014 8.448 ( 4.233 -1.907 -3.299) 5.696 8.663 ( -3.536 2.456 -9.269) 10.220 9.361 ( 0.601 -0.999 3.363) 3.560 9.575 ( 2.994 -0.910 3.875) 4.980 10.292 ( 0.732 -0.016 3.423) 3.500 10.915 ( 3.679 -12.498 -0.227) 13.030 11.733 ( -11.128 0.993 -3.510) 11.711 12.380 ( 1.538 6.811 4.786) 8.465 13.038 ( 1.610 -3.230 -2.998) 4.692 13.388 ( -2.272 2.689 1.500) 3.827 13.517 ( 4.313 3.439 -2.201) 5.939 13.798 ( -3.828 -11.764 -3.263) 12.794 14.298 ( 2.051 -2.350 3.495) 4.685 21.424 ( 0.712 0.068 -0.986) 1.218 22.060 ( -7.816 10.358 -5.680) 14.165 22.177 ( 2.164 -6.111 -0.256) 6.488 22.496 ( 2.845 0.659 1.111) 3.124 23.052 ( 3.065 3.761 8.448) 9.742 23.693 ( -1.066 -0.779 -1.587) 2.065 23.874 ( 0.680 0.846 0.692) 1.288 24.659 ( -0.402 -14.626 -2.851) 14.906 ======================= Grid point 98 (70/131) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -4.820 9.288 0.000) 10.464 3.124 ( 5.320 7.997 0.000) 9.605 3.290 ( 2.282 10.448 0.000) 10.694 3.503 ( 16.827 9.435 -0.000) 19.292 3.597 ( -18.207 -8.344 0.000) 20.028 4.145 ( -13.598 7.609 0.000) 15.582 4.762 ( 5.893 0.323 -0.000) 5.902 4.951 ( 7.165 1.351 -0.000) 7.291 5.605 ( 6.298 -10.487 -0.000) 12.232 5.873 ( -0.557 -12.789 -0.000) 12.802 6.242 ( -10.546 -0.971 0.000) 10.590 6.383 ( 9.084 7.002 -0.000) 11.469 6.470 ( -4.476 -1.270 0.000) 4.653 6.502 ( 10.669 1.937 -0.000) 10.843 7.843 ( 10.515 -0.906 -0.000) 10.554 8.313 ( -10.146 0.754 0.000) 10.174 8.369 ( -3.210 -13.644 -0.000) 14.016 9.313 ( 9.924 1.420 -0.000) 10.025 9.797 ( -11.435 9.333 0.000) 14.760 10.225 ( 0.467 12.366 0.000) 12.375 10.866 ( -15.822 -8.148 0.000) 17.797 11.656 ( 19.217 1.861 -0.000) 19.307 12.648 ( -10.159 -4.682 0.000) 11.186 12.806 ( -0.755 7.301 0.000) 7.340 13.411 ( 5.297 0.464 -0.000) 5.317 13.465 ( 5.641 1.907 -0.000) 5.955 13.681 ( -0.438 -4.342 -0.000) 4.364 14.272 ( -6.643 7.012 0.000) 9.659 21.445 ( 5.781 -4.024 -0.000) 7.044 21.888 ( -1.733 5.040 0.000) 5.329 22.276 ( 3.074 -7.865 -0.000) 8.444 22.543 ( -2.191 -0.216 0.000) 2.202 23.368 ( -16.547 -5.836 0.000) 17.546 23.626 ( 2.070 1.056 -0.000) 2.324 23.870 ( -3.472 1.517 0.000) 3.788 24.277 ( 14.178 15.985 0.000) 21.367 ======================= Grid point 99 (71/131) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -20.155 10.902 0.000) 22.914 2.812 ( -26.189 -14.102 0.000) 29.745 3.403 ( 3.038 8.371 0.000) 8.905 3.724 ( 8.877 11.583 0.000) 14.593 3.784 ( 6.782 -10.129 -0.000) 12.190 4.101 ( -18.234 8.613 0.000) 20.166 4.951 ( 11.940 -8.520 -0.000) 14.668 4.959 ( 7.636 3.778 -0.000) 8.519 5.556 ( -5.561 -12.355 -0.000) 13.548 5.651 ( 5.017 0.707 -0.000) 5.067 6.032 ( -10.755 7.551 0.000) 13.141 6.247 ( -5.580 -7.270 -0.000) 9.165 6.851 ( 14.208 6.184 -0.000) 15.495 6.873 ( 17.479 12.515 -0.000) 21.498 7.832 ( -7.740 -25.893 -0.000) 27.025 8.074 ( 10.654 3.328 -0.000) 11.162 8.171 ( -11.275 2.465 0.000) 11.541 9.459 ( 8.261 -6.198 -0.000) 10.328 9.759 ( -13.411 10.538 0.000) 17.056 10.305 ( 0.703 -3.979 -0.000) 4.041 10.704 ( -9.455 15.874 0.000) 18.476 12.051 ( 19.885 -0.974 -0.000) 19.909 12.364 ( -7.916 -6.763 0.000) 10.411 12.912 ( -2.893 7.769 0.000) 8.290 13.458 ( 6.608 -8.434 -0.000) 10.714 13.634 ( 6.375 2.052 -0.000) 6.697 13.663 ( -0.746 4.959 0.000) 5.015 14.265 ( -5.195 5.079 0.000) 7.265 21.497 ( 6.170 -2.779 -0.000) 6.767 21.996 ( 1.770 4.940 0.000) 5.248 22.179 ( 2.566 -7.348 -0.000) 7.783 22.482 ( -3.403 0.238 0.000) 3.412 23.012 ( -10.571 -3.567 0.000) 11.157 23.682 ( 1.878 1.206 -0.000) 2.232 23.812 ( -3.498 -0.231 0.000) 3.506 24.810 ( 9.361 13.295 0.000) 16.260 ======================= Grid point 100 (72/131) ======================= q-point: ( 0.60 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -10.486 4.459 10.280) 15.347 3.105 ( 0.427 1.462 4.502) 4.753 3.149 ( -5.032 -1.191 -3.922) 6.490 3.257 ( 1.300 -9.251 -2.268) 9.613 4.010 ( 6.546 2.026 3.152) 7.543 4.199 ( 7.529 -16.711 2.173) 18.457 4.921 ( -0.850 -5.596 -1.652) 5.896 4.944 ( 0.923 -2.371 -8.039) 8.432 5.511 ( -11.201 9.778 -3.874) 15.365 5.812 ( 0.348 13.623 -1.798) 13.746 6.083 ( -10.868 6.087 2.751) 12.757 6.300 ( -1.433 0.755 3.165) 3.555 6.571 ( 8.609 -7.422 -0.976) 11.408 6.607 ( 5.872 1.165 -3.393) 6.882 7.639 ( -2.207 5.355 -2.036) 6.140 8.308 ( -4.919 -2.301 1.723) 5.697 8.819 ( 8.570 1.908 -9.511) 12.944 9.247 ( -3.705 -6.157 4.889) 8.691 9.606 ( -1.140 1.309 3.886) 4.256 10.224 ( 4.778 -9.683 2.628) 11.113 10.849 ( -4.522 2.983 7.876) 9.559 11.684 ( 4.806 1.860 -9.355) 10.680 12.536 ( 3.499 2.640 7.469) 8.661 12.968 ( -0.806 -6.506 -2.224) 6.923 13.290 ( -5.371 2.151 -1.900) 6.090 13.613 ( 1.897 -1.497 -6.207) 6.661 13.705 ( 3.593 -0.595 1.083) 3.800 14.265 ( 3.385 -5.839 5.569) 8.750 21.463 ( 0.119 1.768 -4.302) 4.652 21.962 ( -0.063 -4.404 -0.698) 4.460 22.276 ( -0.071 7.535 -1.596) 7.702 22.539 ( 0.352 -0.573 0.961) 1.173 23.169 ( -1.486 3.975 12.285) 12.997 23.690 ( -0.144 1.659 -0.875) 1.881 23.862 ( -0.541 -1.714 2.254) 2.883 24.381 ( 4.715 -14.067 -9.456) 17.593 ======================= Grid point 101 (73/131) ======================= q-point: ( 0.60 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 2.929 12.873 1.259) 13.261 3.043 ( -5.571 -0.134 -6.793) 8.787 3.150 ( 4.934 -0.251 -1.377) 5.129 3.310 ( 11.589 0.513 1.969) 11.766 3.940 ( -5.146 -5.375 -0.591) 7.464 4.160 ( 11.426 -7.827 6.635) 15.357 4.894 ( 4.999 -0.515 -0.704) 5.075 4.968 ( 1.821 0.578 -3.270) 3.787 5.473 ( -14.126 10.009 -5.636) 18.207 5.924 ( -3.120 -3.202 -0.816) 4.545 5.978 ( -11.097 11.925 3.390) 16.639 6.321 ( -0.838 3.134 -1.519) 3.582 6.579 ( 6.954 -9.357 -0.199) 11.659 6.693 ( 5.595 -5.037 -3.196) 8.179 7.583 ( -9.249 2.817 -6.262) 11.519 8.297 ( 0.463 4.800 7.180) 8.649 8.856 ( -0.153 -9.444 0.475) 9.457 9.208 ( 4.779 5.180 -4.213) 8.212 9.562 ( -3.764 0.628 3.778) 5.370 10.244 ( 9.218 -3.969 -1.693) 10.178 10.775 ( -5.822 3.365 7.097) 9.777 11.861 ( 8.102 -4.108 -5.564) 10.652 12.490 ( -3.681 -4.590 1.798) 6.153 12.922 ( 3.029 1.682 4.490) 5.672 13.367 ( 1.042 7.899 -2.665) 8.401 13.542 ( -3.244 -4.088 -6.397) 8.256 13.748 ( 5.003 -4.307 3.395) 7.423 14.243 ( 3.958 -3.035 2.953) 5.797 21.453 ( -2.394 -0.044 -3.219) 4.012 21.992 ( 7.469 -0.585 2.373) 7.859 22.380 ( -2.725 0.036 0.201) 2.732 22.457 ( -4.183 -0.060 1.706) 4.518 23.105 ( -7.536 1.888 0.786) 7.808 23.702 ( -0.412 -0.078 0.937) 1.027 23.861 ( 0.844 0.752 2.135) 2.416 24.390 ( 14.574 -4.763 -5.276) 16.214 ======================= Grid point 102 (74/131) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -29.993 -11.214 0.000) 32.021 2.364 ( -29.680 -2.701 0.000) 29.803 3.275 ( -37.310 -10.671 0.000) 38.806 3.597 ( 0.844 7.142 0.000) 7.192 3.868 ( 0.529 -0.973 -0.000) 1.107 3.992 ( 0.777 1.035 0.000) 1.294 5.010 ( 0.223 -5.508 -0.000) 5.513 5.166 ( 6.097 2.790 -0.000) 6.705 5.289 ( 0.249 -4.008 -0.000) 4.016 5.843 ( 6.448 7.923 0.000) 10.215 5.977 ( -6.348 -7.390 -0.000) 9.742 6.154 ( 2.524 6.349 0.000) 6.833 7.104 ( -0.166 -20.995 -0.000) 20.996 7.309 ( 6.090 6.163 0.000) 8.665 7.512 ( 23.854 8.107 -0.000) 25.194 7.967 ( -12.033 0.551 0.000) 12.045 8.382 ( 8.479 7.741 -0.000) 11.481 9.405 ( 1.594 -8.094 -0.000) 8.249 9.636 ( -14.037 4.461 0.000) 14.729 10.318 ( 4.764 -0.424 -0.000) 4.783 10.871 ( -7.469 17.159 0.000) 18.714 12.026 ( -6.491 -13.970 -0.000) 15.404 12.393 ( 18.126 -2.891 -0.000) 18.355 12.998 ( -4.372 7.788 0.000) 8.931 13.403 ( 5.673 -8.253 -0.000) 10.014 13.767 ( 4.323 0.620 -0.000) 4.367 13.790 ( 0.000 7.151 0.000) 7.151 14.298 ( 0.993 2.590 0.000) 2.774 21.579 ( 4.923 -0.009 -0.000) 4.923 22.038 ( 7.726 -12.144 -0.000) 14.393 22.184 ( -2.882 9.869 0.000) 10.281 22.452 ( -1.842 2.381 0.000) 3.011 22.767 ( -6.669 -4.841 0.000) 8.241 23.732 ( -3.301 -0.881 0.000) 3.417 23.747 ( 1.881 1.317 -0.000) 2.296 25.159 ( 4.770 7.993 0.000) 9.308 ======================= Grid point 108 (75/131) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.000 0.000 -31.448) 31.448 0.698 ( 0.000 0.000 -31.448) 31.448 1.268 ( 0.000 0.000 -56.797) 56.797 3.569 ( -0.000 -0.000 5.639) 5.639 3.569 ( -0.000 -0.000 5.639) 5.639 4.038 ( 0.000 0.000 -7.156) 7.156 4.653 ( -0.000 -0.000 1.314) 1.314 4.653 ( -0.000 -0.000 1.314) 1.314 5.587 ( -0.000 -0.000 3.596) 3.596 5.587 ( -0.000 -0.000 3.596) 3.596 5.912 ( -0.000 -0.000 8.838) 8.838 6.299 ( -0.000 -0.000 10.058) 10.058 7.165 ( 0.000 0.000 -3.013) 3.013 7.265 ( -0.000 -0.000 2.845) 2.845 7.265 ( -0.000 -0.000 2.845) 2.845 8.493 ( -0.000 -0.000 8.207) 8.207 9.141 ( -0.000 -0.000 4.372) 4.372 9.141 ( -0.000 -0.000 4.372) 4.372 10.298 ( 0.000 0.000 -1.625) 1.625 10.672 ( 0.000 0.000 -16.867) 16.867 11.151 ( -0.000 -0.000 1.274) 1.274 11.465 ( 0.000 0.000 -4.198) 4.198 11.465 ( 0.000 0.000 -4.198) 4.198 12.915 ( 0.000 0.000 -0.794) 0.794 12.915 ( 0.000 0.000 -0.794) 0.794 13.763 ( -0.000 -0.000 12.347) 12.347 14.594 ( 0.000 0.000 -6.059) 6.059 15.621 ( -0.000 -0.000 3.545) 3.545 22.088 ( -0.000 -0.000 0.644) 0.644 22.088 ( -0.000 -0.000 0.644) 0.644 22.357 ( 0.000 0.000 -7.756) 7.756 22.501 ( 0.000 0.000 -0.884) 0.884 22.501 ( 0.000 0.000 -0.884) 0.884 23.603 ( 0.000 0.000 -1.891) 1.891 23.807 ( -0.000 -0.000 2.529) 2.529 24.248 ( -0.000 -0.000 3.469) 3.469 ======================= Grid point 109 (76/131) ======================= q-point: ( 0.38 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -6.207 10.928 -5.538) 13.734 3.115 ( -9.029 12.083 6.217) 16.315 3.348 ( -0.828 -7.520 -5.425) 9.310 3.441 ( 0.902 1.317 -2.014) 2.570 3.778 ( 2.091 -9.295 2.609) 9.878 4.629 ( -1.794 -0.857 8.190) 8.428 4.999 ( 4.014 -0.774 -2.477) 4.780 5.079 ( 7.608 -2.160 6.419) 10.185 5.387 ( -0.206 2.396 0.921) 2.575 5.687 ( 5.538 -1.818 -2.550) 6.362 6.005 ( -1.205 -3.608 0.560) 3.845 6.109 ( -6.716 -5.253 -12.921) 15.481 6.557 ( -1.615 0.380 1.164) 2.027 6.874 ( -1.255 -3.817 2.841) 4.921 7.235 ( -4.308 4.788 -3.611) 7.384 8.394 ( 5.145 -10.513 7.719) 14.021 8.540 ( 6.590 11.659 1.699) 13.499 9.146 ( -3.435 -3.202 7.030) 8.454 9.880 ( -3.178 -1.716 -14.081) 14.536 10.237 ( -1.754 3.330 2.707) 4.636 11.548 ( 1.513 5.173 -1.470) 5.587 11.647 ( 1.545 -1.878 -5.346) 5.873 12.008 ( -4.179 2.809 5.692) 7.599 13.078 ( -1.287 -2.468 0.993) 2.955 13.317 ( 6.105 -0.460 1.925) 6.418 13.447 ( -2.583 -6.879 -2.046) 7.627 14.094 ( 6.954 1.300 4.763) 8.528 14.339 ( -6.810 7.608 -3.708) 10.864 21.587 ( -6.415 -3.459 -0.128) 7.289 21.601 ( 9.358 1.614 -0.383) 9.504 22.429 ( 3.731 1.823 -1.724) 4.496 22.477 ( -0.863 -0.603 0.157) 1.065 22.918 ( -6.990 4.081 2.706) 8.535 23.748 ( 2.319 -0.079 0.314) 2.341 23.815 ( -1.917 1.625 -0.463) 2.556 24.994 ( 1.759 -6.749 -1.004) 7.046 ======================= Grid point 110 (77/131) ======================= q-point: (-0.62 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.115 -12.655 -7.041) 14.482 2.944 ( -7.939 -2.911 0.834) 8.497 3.264 ( -4.238 3.188 0.935) 5.385 3.615 ( -0.426 -8.570 7.409) 11.337 3.743 ( 4.487 15.133 -4.358) 16.374 4.446 ( -4.137 -9.470 8.194) 13.189 4.943 ( -2.968 -3.644 8.248) 9.493 5.032 ( 4.902 -10.962 -11.348) 16.522 5.282 ( -5.045 -5.708 -1.926) 7.858 5.702 ( 3.537 -8.207 -1.626) 9.084 5.865 ( 2.429 -4.848 -2.176) 5.843 6.023 ( 6.813 -5.947 4.766) 10.223 6.778 ( 0.187 17.810 2.047) 17.928 6.858 ( -5.825 6.216 4.692) 9.726 7.235 ( -2.955 1.107 -0.790) 3.253 8.297 ( 6.786 -10.610 -2.509) 12.842 8.826 ( 3.814 6.017 1.044) 7.200 9.046 ( -0.815 -3.152 11.295) 11.755 9.757 ( -2.543 -1.451 -14.137) 14.437 10.258 ( -3.072 4.132 6.633) 8.397 11.286 ( -13.549 1.492 -11.578) 17.884 11.956 ( -1.542 9.785 5.024) 11.107 12.179 ( 14.022 4.457 -0.468) 14.721 13.073 ( 0.602 0.285 1.276) 1.439 13.234 ( 0.412 -9.916 0.250) 9.928 13.308 ( 1.002 -7.000 3.444) 7.865 14.269 ( 2.133 5.953 -0.004) 6.324 14.349 ( -11.618 12.239 -3.849) 17.308 21.435 ( -3.793 -0.747 0.824) 3.953 21.948 ( 14.104 5.087 -0.671) 15.008 22.415 ( -2.298 -2.009 1.044) 3.226 22.467 ( -2.707 2.127 -7.331) 8.099 22.870 ( -2.252 2.690 4.896) 6.023 23.776 ( -2.569 0.610 -1.178) 2.892 23.826 ( 3.357 0.165 -0.187) 3.366 24.789 ( -6.253 -8.823 2.612) 11.125 ======================= Grid point 113 (78/131) ======================= q-point: (-0.62 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 1.285 -9.607 -7.839) 12.466 2.840 ( 6.181 -7.333 -7.713) 12.307 3.219 ( -4.709 0.650 4.253) 6.379 3.407 ( -4.997 -5.174 6.562) 9.736 4.020 ( 0.992 6.770 -2.547) 7.301 4.358 ( 8.854 0.757 2.552) 9.246 4.811 ( 0.469 -6.488 -6.058) 8.889 4.959 ( 1.389 -5.590 4.956) 7.599 5.081 ( -7.024 0.979 2.800) 7.625 5.621 ( 8.667 -13.399 -5.260) 16.802 5.788 ( 3.961 -6.840 5.104) 9.409 6.104 ( 8.978 -4.456 5.621) 11.492 6.798 ( -8.220 1.680 4.903) 9.718 7.019 ( -14.984 15.843 2.541) 21.954 7.271 ( 10.318 0.693 2.283) 10.590 8.229 ( 5.282 -9.209 -5.100) 11.777 8.921 ( -3.065 0.973 6.342) 7.111 9.014 ( 4.106 -0.497 5.423) 6.820 9.772 ( 1.136 3.816 -15.526) 16.028 10.310 ( -1.475 6.291 7.989) 10.275 11.146 ( -8.915 6.679 -16.072) 19.555 11.948 ( -10.095 0.653 6.662) 12.113 12.559 ( 10.271 6.700 -1.430) 12.347 12.979 ( -1.550 -9.777 -0.826) 9.934 13.060 ( 3.047 -7.900 0.298) 8.472 13.283 ( 4.057 -0.490 8.284) 9.238 14.258 ( -16.014 9.827 -3.996) 19.209 14.485 ( -1.330 10.801 -1.914) 11.050 21.390 ( -2.195 1.734 2.294) 3.618 22.069 ( -3.826 -3.634 0.913) 5.355 22.320 ( -2.303 -1.287 1.044) 2.837 22.552 ( 2.075 2.530 -4.858) 5.857 23.079 ( 12.080 11.085 -5.211) 17.204 23.721 ( -1.845 -0.949 -0.662) 2.178 23.877 ( 1.860 -1.675 -0.980) 2.688 24.456 ( -9.205 -6.732 8.087) 13.981 ======================= Grid point 114 (79/131) ======================= q-point: (-0.62 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 12.374 2.487 -16.200) 20.536 2.858 ( 11.882 -7.876 -10.193) 17.525 3.220 ( 2.075 3.102 4.237) 5.646 3.319 ( 0.176 2.478 6.128) 6.612 4.130 ( -4.521 3.200 1.024) 5.633 4.601 ( 6.263 0.053 -5.222) 8.154 4.687 ( -1.563 -3.261 8.097) 8.868 4.819 ( 6.385 -3.230 0.757) 7.196 5.185 ( 2.433 8.420 5.726) 10.469 5.500 ( 6.158 -11.456 -2.879) 13.321 5.796 ( 9.641 -7.877 1.096) 12.498 6.128 ( 5.553 -7.423 4.107) 10.140 6.656 ( -7.129 1.084 3.757) 8.131 6.964 ( -12.841 9.214 2.521) 16.005 7.526 ( 5.488 5.182 0.202) 7.551 8.129 ( 3.777 -9.155 0.164) 9.905 8.830 ( -6.127 0.159 3.556) 7.086 9.101 ( 4.133 -0.702 7.503) 8.595 9.880 ( 2.187 1.936 -16.556) 16.812 10.459 ( -1.134 8.544 5.537) 10.244 11.156 ( -4.643 7.262 -16.082) 18.246 11.664 ( -12.855 -0.383 6.211) 14.282 12.613 ( -2.761 -11.456 -2.316) 12.010 12.887 ( 7.445 0.020 2.539) 7.866 13.128 ( 6.115 2.283 1.039) 6.610 13.328 ( 3.715 -3.378 7.408) 8.949 14.105 ( -15.444 7.738 -2.341) 17.432 14.627 ( -5.898 9.220 -3.924) 11.627 21.404 ( -2.164 4.018 2.542) 5.224 21.871 ( -2.422 -7.599 1.571) 8.129 22.291 ( -2.951 3.841 -0.276) 4.852 22.562 ( -0.513 -1.310 -0.464) 1.481 23.424 ( 1.540 -3.093 -15.907) 16.278 23.668 ( -1.309 -0.214 -0.075) 1.329 23.908 ( 3.728 1.899 -1.755) 4.537 24.322 ( 2.194 5.514 15.594) 16.685 ======================= Grid point 115 (80/131) ======================= q-point: (-0.13 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 21.766 1.131 -5.600) 22.503 2.735 ( 19.319 17.776 -5.399) 26.803 3.287 ( -4.409 -5.271 1.593) 7.054 3.521 ( -7.237 -12.234 7.834) 16.230 3.955 ( -0.556 -2.240 -7.457) 7.805 4.141 ( -3.779 10.723 -4.053) 12.070 4.999 ( -4.885 -4.288 1.094) 6.591 5.172 ( -10.736 -2.981 11.156) 15.767 5.537 ( 9.902 2.905 6.984) 12.461 5.650 ( 9.891 15.263 -0.249) 18.189 5.923 ( -1.246 0.638 -1.568) 2.102 6.204 ( 6.066 0.017 -3.644) 7.076 6.823 ( -1.697 -9.243 1.907) 9.589 6.865 ( -13.598 -16.080 3.117) 21.288 7.704 ( 6.786 4.456 8.935) 12.073 8.155 ( -0.964 8.891 0.302) 8.948 8.752 ( -6.798 8.848 -21.866) 24.548 9.222 ( 7.754 -10.168 7.326) 14.737 9.627 ( -2.516 5.511 7.249) 9.447 10.310 ( -4.621 -10.492 -3.046) 11.862 10.548 ( 1.347 6.464 -6.313) 9.135 12.045 ( 3.818 -7.680 8.335) 11.960 12.419 ( 0.894 -3.047 -7.879) 8.495 12.923 ( -8.470 4.003 -0.347) 9.375 13.340 ( 4.939 -0.655 6.324) 8.051 13.730 ( 0.506 2.104 3.170) 3.838 13.792 ( -8.659 -5.509 -0.707) 10.287 14.170 ( -2.093 -4.246 -8.210) 9.477 21.604 ( -2.267 0.772 7.456) 7.831 21.930 ( -1.694 -2.578 -5.213) 6.057 22.334 ( 6.230 -1.764 1.640) 6.679 22.471 ( -4.060 5.586 -1.397) 7.046 22.905 ( 6.685 1.364 -5.968) 9.065 23.699 ( 0.035 0.363 0.964) 1.031 23.798 ( -0.011 0.264 -2.686) 2.699 24.715 ( -10.983 -8.551 6.926) 15.547 ======================= Grid point 116 (81/131) ======================= q-point: (-0.13 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 13.081 2.428 -3.663) 13.799 3.017 ( -2.939 -10.221 0.014) 10.635 3.132 ( -7.923 -6.750 2.536) 10.713 3.312 ( -0.435 2.620 8.126) 8.549 3.761 ( -3.437 -3.907 -10.502) 11.721 4.025 ( -3.088 0.899 0.975) 3.361 4.838 ( -3.756 -2.001 -0.210) 4.261 5.009 ( -4.981 -3.329 3.117) 6.753 5.746 ( 7.573 4.938 0.883) 9.084 6.060 ( 3.750 7.019 2.016) 8.209 6.158 ( 7.498 11.806 -1.636) 14.081 6.280 ( 3.950 -6.707 -3.233) 8.429 6.440 ( -4.813 -3.801 1.340) 6.277 6.624 ( -5.150 -4.833 0.146) 7.064 7.877 ( 7.415 0.044 6.651) 9.961 8.162 ( -7.172 2.040 -1.587) 7.624 8.857 ( -5.814 11.289 -8.451) 15.253 9.105 ( 4.874 -13.241 4.551) 14.825 9.668 ( -1.484 4.011 3.427) 5.480 10.003 ( -4.714 -10.206 -2.568) 11.532 10.867 ( 11.212 12.334 -3.413) 17.014 11.826 ( -8.289 -8.982 4.993) 13.203 12.477 ( 6.413 0.314 -2.229) 6.797 12.824 ( -7.125 1.154 -0.740) 7.256 13.387 ( 2.268 -1.029 0.552) 2.551 13.518 ( -5.044 -4.429 -0.935) 6.777 13.852 ( 1.041 4.949 4.394) 6.699 14.066 ( -0.874 -3.986 -4.229) 5.876 21.596 ( 0.188 1.016 4.511) 4.628 21.801 ( -5.019 -2.721 -3.854) 6.888 22.452 ( 3.028 1.636 1.806) 3.887 22.497 ( -1.266 2.289 -0.458) 2.655 23.154 ( 14.369 4.412 -4.326) 15.641 23.713 ( -1.814 2.487 -0.660) 3.148 23.794 ( 0.782 -1.397 -0.909) 1.841 24.248 ( -14.973 -11.494 4.316) 19.363 ======================= Grid point 117 (82/131) ======================= q-point: (-0.62 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 13.908 -4.009 -15.522) 21.224 3.085 ( 13.617 3.066 -8.133) 16.155 3.293 ( 0.662 2.926 0.409) 3.028 3.490 ( 2.135 3.025 2.651) 4.554 3.842 ( -14.208 -5.081 4.732) 15.814 4.600 ( 3.090 -1.538 6.243) 7.133 4.847 ( 7.883 5.061 9.840) 13.586 4.924 ( 2.798 -1.318 -0.916) 3.226 5.432 ( 0.382 6.078 -2.323) 6.518 5.468 ( 6.378 1.231 0.985) 6.570 5.855 ( 14.304 -8.112 -2.358) 16.612 6.113 ( 7.831 -6.439 -0.525) 10.152 6.571 ( -7.033 4.288 0.783) 8.274 6.892 ( -8.835 5.541 2.610) 10.751 7.543 ( -6.509 -4.992 -9.324) 12.419 8.130 ( 9.478 -1.430 11.973) 15.337 8.687 ( -10.142 1.957 2.369) 10.598 9.139 ( 3.910 -3.100 7.635) 9.121 9.909 ( 1.762 -2.887 -16.650) 16.990 10.405 ( -7.616 -2.706 3.735) 8.904 11.347 ( 0.541 15.429 -6.651) 16.810 11.577 ( -3.512 5.732 -0.771) 6.767 12.297 ( -3.157 -13.536 0.615) 13.913 13.031 ( 4.481 1.483 -0.611) 4.760 13.239 ( 1.132 -0.714 7.963) 8.075 13.354 ( 7.090 -2.161 0.643) 7.440 14.022 ( -8.270 8.477 0.328) 11.847 14.579 ( -9.738 1.551 -4.717) 10.931 21.468 ( -2.323 7.129 1.188) 7.591 21.699 ( 1.645 -8.940 1.400) 9.197 22.350 ( -2.290 6.752 -0.591) 7.154 22.513 ( -0.480 -2.169 0.013) 2.221 23.184 ( -5.119 -9.969 -5.625) 12.538 23.690 ( 0.109 2.506 0.314) 2.528 23.903 ( -1.770 -2.513 -1.940) 3.635 24.695 ( 10.515 10.466 6.233) 16.092 ======================= Grid point 119 (83/131) ======================= q-point: (-0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -3.979 -6.947 -3.360) 8.682 2.792 ( 3.979 6.947 -3.360) 8.682 3.018 ( -3.900 -4.116 4.615) 7.310 3.018 ( 3.900 4.116 4.615) 7.310 3.952 ( -3.601 -5.256 -0.460) 6.388 3.952 ( 3.601 5.256 -0.460) 6.388 4.832 ( -3.386 -2.780 -0.515) 4.411 4.832 ( 3.386 2.780 -0.515) 4.411 6.014 ( -5.021 -7.801 -2.592) 9.633 6.014 ( 5.021 7.801 -2.592) 9.633 6.309 ( 0.554 -6.392 0.820) 6.468 6.309 ( -0.554 6.392 0.820) 6.468 6.458 ( -1.894 -3.707 -0.076) 4.163 6.458 ( 1.894 3.707 -0.076) 4.163 8.027 ( 1.493 -6.259 1.596) 6.630 8.027 ( -1.493 6.259 1.596) 6.630 8.954 ( 5.042 -10.835 -0.102) 11.951 8.954 ( -5.042 10.835 -0.102) 11.951 9.768 ( -0.950 -6.908 0.083) 6.973 9.768 ( 0.950 6.908 0.083) 6.973 11.385 ( -13.511 -12.407 -0.184) 18.344 11.385 ( 13.511 12.407 -0.184) 18.344 12.657 ( -6.906 -2.808 1.043) 7.527 12.657 ( 6.906 2.808 1.043) 7.527 13.414 ( -0.327 -1.937 -1.526) 2.487 13.414 ( 0.327 1.937 -1.526) 2.487 13.965 ( 2.578 -7.135 0.477) 7.601 13.965 ( -2.578 7.135 0.477) 7.601 21.663 ( 1.032 -5.424 0.015) 5.521 21.663 ( -1.032 5.424 0.015) 5.521 22.500 ( 1.616 -2.348 0.290) 2.865 22.500 ( -1.616 2.348 0.290) 2.865 23.600 ( -13.626 -6.295 -2.457) 15.209 23.600 ( 13.626 6.295 -2.457) 15.209 23.819 ( -4.824 -2.776 2.186) 5.980 23.819 ( 4.824 2.776 2.186) 5.980 ======================= Grid point 129 (84/131) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -1.828 -16.925 -22.072) 27.874 2.020 ( 7.625 -24.826 -19.352) 32.388 3.237 ( -2.049 -22.312 -21.489) 31.045 3.534 ( 3.141 -9.874 5.992) 11.969 3.571 ( -4.116 -10.557 2.650) 11.637 4.112 ( -2.173 6.342 -7.900) 10.361 4.713 ( -2.628 -1.925 6.009) 6.835 4.964 ( 2.652 -11.628 12.223) 17.078 5.401 ( 1.603 6.537 5.321) 8.580 5.445 ( -1.525 -0.082 -1.268) 1.985 5.723 ( 3.002 -5.859 9.240) 11.345 5.931 ( -1.823 1.398 13.085) 13.285 6.963 ( 5.467 4.572 0.098) 7.127 7.262 ( -3.580 -1.386 8.478) 9.307 7.720 ( -3.641 -10.997 2.224) 11.796 7.931 ( 1.575 13.140 4.746) 14.059 9.040 ( 2.942 2.127 5.546) 6.629 9.140 ( -3.070 -5.094 8.836) 10.651 9.607 ( -0.854 15.614 -21.940) 26.942 10.770 ( -3.589 10.219 -4.378) 11.682 11.111 ( -5.655 -1.264 -10.044) 11.596 11.693 ( 13.885 -4.898 -4.863) 15.506 12.502 ( -1.844 -9.109 7.762) 12.109 12.731 ( 1.811 -0.264 0.635) 1.937 13.041 ( -3.359 -5.060 -0.429) 6.089 13.446 ( -0.049 -0.463 14.004) 14.012 14.533 ( 2.094 10.643 -5.562) 12.190 14.911 ( -1.846 17.856 -9.877) 20.489 21.691 ( -4.522 7.373 0.293) 8.654 21.931 ( 11.596 6.554 0.579) 13.332 22.421 ( -1.924 1.484 -2.995) 3.857 22.498 ( -2.414 0.939 -0.733) 2.692 22.803 ( -3.696 -4.881 -10.055) 11.772 23.716 ( 1.096 -1.712 -2.357) 3.113 23.804 ( -0.961 -0.508 0.173) 1.101 24.649 ( 0.634 -13.462 18.256) 22.691 ======================= Grid point 130 (85/131) ======================= q-point: ( 0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.399 31.336 0.000) 31.339 2.006 ( -26.342 29.462 0.000) 39.522 3.389 ( 16.242 42.713 0.000) 45.697 3.683 ( 0.122 -2.504 -0.000) 2.507 3.853 ( -0.243 -1.485 -0.000) 1.505 3.954 ( -3.184 3.272 0.000) 4.566 4.986 ( 2.108 4.747 0.000) 5.194 5.197 ( 0.034 -6.972 -0.000) 6.972 5.290 ( 3.638 -3.008 -0.000) 4.721 5.853 ( -4.178 6.063 0.000) 7.363 5.955 ( 4.129 -6.046 -0.000) 7.322 6.221 ( -0.885 3.898 0.000) 3.998 6.764 ( -9.041 -6.734 0.000) 11.273 7.414 ( 1.511 -9.813 -0.000) 9.929 7.564 ( -2.462 -25.138 -0.000) 25.258 8.011 ( 4.355 13.208 0.000) 13.907 8.574 ( 10.053 -5.393 -0.000) 11.408 9.246 ( -7.709 -1.760 0.000) 7.907 9.705 ( 2.756 14.648 0.000) 14.905 10.320 ( 0.308 -5.575 -0.000) 5.583 11.198 ( 12.222 6.457 -0.000) 13.823 11.644 ( -20.340 5.424 0.000) 21.051 12.334 ( -2.463 -17.373 -0.000) 17.547 13.145 ( 6.231 6.339 0.000) 8.889 13.295 ( -2.094 -5.692 -0.000) 6.065 13.763 ( -0.913 -4.883 -0.000) 4.968 13.918 ( 5.183 1.636 -0.000) 5.435 14.293 ( -3.174 -3.309 -0.000) 4.585 21.630 ( 5.059 -2.392 -0.000) 5.596 21.827 ( -8.157 -6.673 0.000) 10.539 22.368 ( 8.122 2.118 -0.000) 8.394 22.477 ( -1.038 0.196 0.000) 1.056 22.662 ( -4.441 4.882 0.000) 6.600 23.716 ( -0.570 3.054 0.000) 3.106 23.770 ( 0.849 -1.274 -0.000) 1.531 25.263 ( 1.672 -3.870 -0.000) 4.216 ======================= Grid point 131 (86/131) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -14.985 26.635 0.000) 30.561 2.537 ( 7.212 26.679 0.000) 27.636 3.513 ( -5.549 -7.729 -0.000) 9.515 3.677 ( 2.950 -7.520 -0.000) 8.078 3.803 ( -9.117 -5.040 0.000) 10.418 4.450 ( 7.913 21.650 0.000) 23.050 5.011 ( -1.904 -7.756 -0.000) 7.986 5.177 ( 4.905 5.694 0.000) 7.515 5.450 ( 9.727 1.752 -0.000) 9.884 5.871 ( -0.082 -4.382 -0.000) 4.383 5.948 ( 1.265 5.964 0.000) 6.097 6.104 ( -15.079 -0.587 0.000) 15.091 6.544 ( 1.875 -7.578 -0.000) 7.807 6.979 ( -8.345 -19.992 -0.000) 21.663 7.336 ( 7.450 -4.569 -0.000) 8.740 8.412 ( 8.115 14.112 0.000) 16.279 8.654 ( 7.955 -5.104 -0.000) 9.452 9.043 ( -6.602 -4.131 0.000) 7.788 9.972 ( -1.489 9.007 0.000) 9.129 10.179 ( -0.830 -7.997 -0.000) 8.040 11.112 ( -22.985 8.119 0.000) 24.377 11.802 ( 11.994 8.812 -0.000) 14.883 12.013 ( 1.511 -12.525 -0.000) 12.615 13.184 ( 2.730 -5.965 -0.000) 6.560 13.344 ( -0.131 4.223 0.000) 4.225 13.635 ( 1.909 -6.556 -0.000) 6.828 14.062 ( 3.196 4.207 0.000) 5.283 14.102 ( -11.214 -0.919 0.000) 11.252 21.595 ( -2.704 -6.359 -0.000) 6.910 21.810 ( 12.917 2.750 -0.000) 13.206 22.398 ( -7.987 1.786 0.000) 8.184 22.532 ( 4.209 1.931 -0.000) 4.631 22.647 ( -2.502 0.118 0.000) 2.504 23.751 ( -0.869 1.682 0.000) 1.893 23.780 ( 1.055 0.703 -0.000) 1.268 25.113 ( -6.842 -6.246 0.000) 9.264 ======================= Grid point 132 (87/131) ======================= q-point: (-0.35 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 10.443 -4.754 -27.118) 29.446 1.698 ( 8.505 -18.600 -23.611) 31.237 2.941 ( 21.234 -18.839 -38.779) 48.058 3.391 ( 0.016 0.173 9.363) 9.364 3.524 ( 5.666 -5.665 10.737) 13.397 4.194 ( -1.745 2.915 -9.782) 10.356 4.668 ( 4.676 -2.007 5.151) 7.241 4.838 ( 6.325 -9.344 10.079) 15.129 5.364 ( -5.382 4.820 2.696) 7.711 5.511 ( -2.744 3.575 5.238) 6.910 5.716 ( 4.934 -6.683 9.199) 12.394 5.963 ( 0.913 0.164 16.190) 16.217 7.032 ( -5.324 -0.976 2.630) 6.018 7.223 ( 4.899 0.397 5.822) 7.619 7.553 ( 8.224 -6.845 1.717) 10.837 8.081 ( -7.715 7.409 8.462) 13.638 9.021 ( -1.260 -0.207 4.955) 5.117 9.117 ( 3.839 -2.396 7.002) 8.337 9.849 ( -16.363 16.711 -20.633) 31.188 10.878 ( -4.790 10.703 3.146) 12.140 10.999 ( -2.768 4.501 -22.564) 23.175 11.764 ( -0.552 -13.991 -3.797) 14.508 12.243 ( 22.309 -16.645 7.757) 28.895 12.826 ( -6.656 3.221 0.521) 7.413 12.964 ( 3.294 0.909 -0.880) 3.529 13.437 ( 1.161 -1.224 15.872) 15.961 14.644 ( -5.950 4.829 -7.228) 10.534 15.124 ( -14.508 15.492 -5.433) 21.909 21.768 ( -6.701 10.930 -0.484) 12.830 22.030 ( -7.376 -4.229 1.066) 8.569 22.444 ( -2.093 2.911 -1.745) 3.988 22.521 ( 1.569 1.641 -2.281) 3.218 22.756 ( 7.463 -3.020 -12.252) 14.660 23.686 ( 0.363 -0.892 -2.851) 3.009 23.791 ( 1.287 -1.012 2.351) 2.865 24.454 ( 9.942 -10.640 17.646) 22.878 ======================= Grid point 134 (88/131) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -3.802 20.645 0.000) 20.992 2.905 ( -2.859 -6.922 -0.000) 7.489 3.331 ( -1.332 1.324 0.000) 1.878 3.588 ( 2.637 -8.246 -0.000) 8.657 3.642 ( -3.074 12.545 0.000) 12.916 4.445 ( -12.113 -11.181 0.000) 16.485 4.848 ( -1.547 -5.146 -0.000) 5.373 5.257 ( -4.785 -2.144 0.000) 5.244 5.547 ( 7.738 -12.011 -0.000) 14.288 5.736 ( -6.549 8.132 0.000) 10.441 6.099 ( 5.587 1.356 -0.000) 5.750 6.125 ( 7.121 1.719 -0.000) 7.326 6.485 ( 2.103 -1.215 -0.000) 2.429 6.603 ( -6.285 -0.955 0.000) 6.357 7.406 ( 8.871 -6.323 -0.000) 10.894 8.674 ( 4.265 -5.501 -0.000) 6.961 8.816 ( 7.414 8.402 0.000) 11.206 8.833 ( -6.923 -2.917 0.000) 7.513 10.003 ( -3.882 1.824 0.000) 4.289 10.020 ( -1.230 -4.063 -0.000) 4.245 10.933 ( -12.758 10.609 0.000) 16.593 11.885 ( -0.001 -4.769 -0.000) 4.769 12.199 ( 8.423 10.398 0.000) 13.382 13.181 ( 5.715 -2.877 -0.000) 6.398 13.252 ( -5.861 -2.699 0.000) 6.452 13.574 ( 3.035 -11.672 -0.000) 12.060 13.893 ( -13.521 8.104 0.000) 15.764 14.197 ( 0.506 5.588 0.000) 5.611 21.455 ( 0.035 -5.367 -0.000) 5.367 22.132 ( 5.268 -1.464 -0.000) 5.468 22.322 ( -2.274 8.849 0.000) 9.137 22.605 ( 0.508 0.926 0.000) 1.056 22.616 ( 4.059 0.552 -0.000) 4.096 23.748 ( -0.925 0.053 0.000) 0.926 23.840 ( 0.980 3.029 0.000) 3.183 24.755 ( -13.853 -8.691 0.000) 16.354 ======================= Grid point 135 (89/131) ======================= q-point: (-0.85 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -0.897 -6.504 -0.000) 6.566 2.770 ( 1.971 13.799 0.000) 13.939 3.251 ( -3.352 -0.268 0.000) 3.362 3.368 ( -6.773 -8.630 -0.000) 10.970 4.054 ( -4.818 -4.380 0.000) 6.511 4.134 ( 5.083 23.612 0.000) 24.153 4.727 ( -2.832 -3.411 -0.000) 4.433 4.987 ( -9.999 -7.417 0.000) 12.449 5.409 ( 12.220 -16.518 -0.000) 20.547 5.876 ( 2.970 3.477 0.000) 4.572 6.164 ( 5.794 -7.343 -0.000) 9.354 6.208 ( 5.328 -1.658 -0.000) 5.580 6.555 ( -1.827 4.392 0.000) 4.757 6.563 ( -5.064 3.486 0.000) 6.148 7.477 ( 10.101 -4.147 -0.000) 10.919 8.577 ( 2.593 -10.821 -0.000) 11.127 8.692 ( -9.512 4.303 0.000) 10.440 9.009 ( 4.358 1.580 -0.000) 4.636 9.989 ( -3.359 3.929 0.000) 5.169 10.005 ( -0.660 5.141 0.000) 5.183 11.030 ( 2.156 9.200 0.000) 9.449 11.684 ( -11.301 -6.443 0.000) 13.009 12.543 ( 4.908 10.833 0.000) 11.893 13.123 ( -4.231 -2.724 0.000) 5.032 13.265 ( 5.448 -0.843 -0.000) 5.513 13.292 ( -1.297 -11.039 -0.000) 11.115 13.848 ( -8.306 5.762 0.000) 10.109 14.308 ( -2.177 7.426 0.000) 7.739 21.380 ( 1.497 -3.863 -0.000) 4.143 22.015 ( -6.545 -0.779 0.000) 6.592 22.345 ( 0.119 -4.774 -0.000) 4.776 22.604 ( -1.093 0.007 0.000) 1.093 23.092 ( 17.375 17.371 -0.000) 24.569 23.736 ( 0.942 -0.166 -0.000) 0.956 23.911 ( -0.336 2.521 0.000) 2.543 24.253 ( -17.945 -9.104 0.000) 20.123 ======================= Grid point 139 (90/131) ======================= q-point: ( 0.15 0.85 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 7.392 9.426 0.000) 11.979 3.024 ( 4.212 6.175 0.000) 7.475 3.249 ( 1.365 5.193 0.000) 5.370 3.282 ( 5.366 3.000 -0.000) 6.148 3.909 ( -11.197 -2.640 0.000) 11.504 4.445 ( -15.463 11.456 0.000) 19.244 4.700 ( -1.173 -4.820 -0.000) 4.961 4.767 ( 11.036 5.209 -0.000) 12.204 5.416 ( 13.431 -11.593 -0.000) 17.742 5.839 ( 3.481 -11.760 -0.000) 12.264 6.232 ( 7.884 -0.778 -0.000) 7.923 6.255 ( 5.236 -2.354 -0.000) 5.741 6.482 ( -5.779 0.202 0.000) 5.783 6.553 ( -5.421 3.972 0.000) 6.720 7.644 ( 9.862 0.424 -0.000) 9.871 8.366 ( -0.273 -13.578 -0.000) 13.581 8.571 ( -11.517 3.964 0.000) 12.180 9.138 ( 7.295 0.375 -0.000) 7.304 9.997 ( -7.618 7.972 0.000) 11.026 10.198 ( 2.318 10.763 0.000) 11.010 11.213 ( -18.601 -7.627 0.000) 20.104 11.329 ( 12.217 5.096 -0.000) 13.238 12.806 ( 1.232 9.213 0.000) 9.295 12.828 ( -7.619 -9.868 -0.000) 12.467 13.282 ( 6.802 -2.231 -0.000) 7.159 13.357 ( 5.326 0.125 -0.000) 5.328 13.762 ( -7.657 2.481 0.000) 8.049 14.392 ( -5.307 7.905 0.000) 9.521 21.361 ( 2.704 -2.215 -0.000) 3.495 21.921 ( -1.861 0.039 0.000) 1.861 22.245 ( 0.110 -4.826 -0.000) 4.827 22.575 ( -1.196 -0.566 0.000) 1.323 23.586 ( 2.512 4.919 0.000) 5.523 23.692 ( -15.164 -10.116 0.000) 18.228 23.945 ( -4.606 2.508 0.000) 5.244 23.983 ( 15.077 14.926 -0.000) 21.216 ======================= Grid point 141 (91/131) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -6.043 11.307 0.000) 12.820 3.203 ( -2.604 -3.081 -0.000) 4.034 3.387 ( -8.630 2.069 0.000) 8.874 3.557 ( 14.837 -3.188 -0.000) 15.176 3.579 ( 2.090 6.073 0.000) 6.423 4.402 ( -11.517 17.364 0.000) 20.837 4.799 ( 8.314 3.370 -0.000) 8.971 4.865 ( -1.970 -10.806 -0.000) 10.984 5.487 ( 9.725 0.251 -0.000) 9.729 5.635 ( -1.805 -10.871 -0.000) 11.019 6.265 ( -8.829 2.723 0.000) 9.239 6.283 ( 4.046 -9.233 -0.000) 10.080 6.538 ( 14.670 1.681 -0.000) 14.766 6.637 ( 3.843 10.382 0.000) 11.071 7.878 ( 9.309 4.526 -0.000) 10.351 7.979 ( -6.735 -20.057 -0.000) 21.158 8.401 ( -11.864 2.809 0.000) 12.192 9.278 ( 9.206 -3.880 -0.000) 9.990 10.003 ( -10.370 9.793 0.000) 14.264 10.317 ( -1.415 -3.745 -0.000) 4.003 10.915 ( -11.905 13.476 0.000) 17.982 11.676 ( 16.642 0.858 -0.000) 16.664 12.499 ( -5.706 -10.513 -0.000) 11.962 12.966 ( -1.955 8.586 0.000) 8.806 13.319 ( 6.726 -8.612 -0.000) 10.927 13.497 ( 7.170 1.151 -0.000) 7.262 13.717 ( -4.775 6.806 0.000) 8.314 14.392 ( -7.293 4.848 0.000) 8.758 21.399 ( 3.622 -0.334 -0.000) 3.638 21.919 ( 4.668 -4.483 -0.000) 6.472 22.184 ( -2.040 1.490 0.000) 2.526 22.531 ( -1.668 -0.976 0.000) 1.933 23.242 ( -12.303 -7.114 0.000) 14.211 23.653 ( 1.007 1.640 0.000) 1.924 23.885 ( -3.883 -0.173 0.000) 3.887 24.599 ( 12.196 15.867 0.000) 20.013 ======================= Grid point 142 (92/131) ======================= q-point: ( 0.65 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -7.254 -2.228 6.415) 9.937 3.007 ( 3.355 -4.270 8.083) 9.738 3.215 ( 2.208 -0.439 0.160) 2.257 3.301 ( -2.862 -12.164 -5.826) 13.788 3.894 ( 2.067 6.027 2.614) 6.887 4.091 ( 1.951 -15.194 -2.440) 15.512 4.908 ( 1.558 -6.433 -4.568) 8.042 4.958 ( -1.505 -2.822 1.009) 3.354 5.651 ( 3.996 15.186 -2.397) 15.885 5.793 ( -5.633 7.269 2.542) 9.541 6.177 ( 5.628 6.401 0.885) 8.569 6.340 ( -3.670 2.028 2.763) 5.022 6.476 ( 1.168 -5.273 -1.129) 5.517 6.578 ( -4.429 -1.045 -0.443) 4.572 7.636 ( 1.997 8.690 3.100) 9.440 8.368 ( 0.617 -6.322 -3.798) 7.401 8.725 ( -1.308 4.054 -5.942) 7.311 9.280 ( 1.026 -6.909 5.479) 8.877 9.587 ( 2.035 2.060 -0.531) 2.944 10.190 ( -1.100 -10.505 2.939) 10.964 10.856 ( 3.454 6.756 0.319) 7.594 11.723 ( -7.353 -2.442 -3.098) 8.345 12.470 ( 2.219 2.872 4.546) 5.817 12.959 ( 1.525 -5.231 -4.226) 6.896 13.419 ( -7.183 -0.184 1.685) 7.381 13.509 ( 6.440 -4.227 -0.563) 7.724 13.703 ( -1.064 3.642 -2.103) 4.338 14.221 ( 0.767 -5.232 1.792) 5.584 21.457 ( 0.386 3.126 -0.648) 3.215 21.977 ( -0.931 -8.659 -2.401) 9.034 22.312 ( -3.562 9.130 -2.437) 10.099 22.510 ( 2.576 0.604 0.801) 2.765 23.154 ( 2.389 7.245 8.087) 11.118 23.694 ( -0.395 0.889 -1.614) 1.885 23.871 ( -0.052 -1.111 0.460) 1.204 24.336 ( -0.324 -17.506 -3.000) 17.764 ======================= Grid point 144 (93/131) ======================= q-point: ( 0.65 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -3.991 8.614 3.458) 10.104 2.986 ( 5.050 -6.353 -3.387) 8.794 3.102 ( 6.018 -5.323 0.615) 8.058 3.183 ( 1.319 -3.031 -2.901) 4.398 3.950 ( 3.801 -5.977 4.222) 8.246 4.017 ( 2.011 -1.786 2.529) 3.691 4.832 ( 0.984 -2.345 -0.863) 2.686 4.922 ( 2.484 -0.980 -4.493) 5.227 5.729 ( -10.961 11.844 -0.894) 16.163 6.002 ( -3.991 2.567 -2.522) 5.373 6.202 ( -10.334 6.707 1.969) 12.476 6.300 ( 1.924 1.695 -1.655) 3.052 6.453 ( 5.803 -5.479 2.256) 8.294 6.603 ( 3.863 -2.047 -1.697) 4.690 7.741 ( -6.515 5.010 -4.569) 9.404 8.251 ( 3.532 -3.224 6.241) 7.862 8.839 ( 1.458 -0.275 -8.202) 8.335 9.140 ( 1.942 -3.437 4.578) 6.045 9.630 ( -2.648 1.112 1.465) 3.224 10.044 ( 8.738 -7.468 0.848) 11.526 10.973 ( -11.141 7.956 5.964) 14.933 11.687 ( 8.122 -2.261 -7.217) 11.098 12.537 ( -0.918 -1.513 2.992) 3.476 12.853 ( 3.575 -3.993 2.005) 5.722 13.361 ( -1.118 4.183 -1.735) 4.664 13.521 ( 3.035 -5.001 -1.627) 6.072 13.770 ( -3.903 4.015 -2.274) 6.044 14.154 ( 4.468 -4.916 3.591) 7.552 21.509 ( -2.845 2.501 -3.308) 5.029 21.864 ( 5.082 -4.522 1.787) 7.033 22.411 ( -1.440 4.869 -1.762) 5.375 22.517 ( -1.215 -1.336 1.446) 2.313 23.268 ( -7.798 5.857 5.500) 11.197 23.723 ( -1.383 1.001 0.482) 1.774 23.830 ( 1.751 -0.692 2.161) 2.867 24.122 ( 11.572 -11.453 -6.762) 17.630 ======================= Grid point 145 (94/131) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -28.918 -9.046 0.000) 30.300 2.853 ( -20.097 -4.923 0.000) 20.691 3.537 ( 5.254 4.758 -0.000) 7.088 3.610 ( 3.490 -4.417 -0.000) 5.629 3.896 ( 8.480 5.438 -0.000) 10.074 4.179 ( -30.577 0.903 0.000) 30.591 4.889 ( 10.260 3.920 -0.000) 10.983 5.034 ( 7.091 3.316 -0.000) 7.828 5.349 ( -5.406 -7.666 -0.000) 9.381 5.722 ( 6.897 4.997 -0.000) 8.517 6.091 ( -4.605 -7.630 -0.000) 8.912 6.196 ( -6.231 8.300 0.000) 10.378 6.920 ( 17.085 -2.887 -0.000) 17.327 7.065 ( 20.005 5.984 -0.000) 20.881 7.353 ( -9.561 -18.351 -0.000) 20.693 8.206 ( 9.229 9.840 0.000) 13.491 8.213 ( -12.429 2.161 0.000) 12.616 9.323 ( 6.176 -7.167 -0.000) 9.461 9.923 ( -13.908 5.624 0.000) 15.002 10.230 ( 3.547 -2.743 -0.000) 4.484 11.057 ( -10.536 18.249 0.000) 21.072 12.017 ( 18.689 -1.790 -0.000) 18.774 12.140 ( -5.062 -16.338 -0.000) 17.104 13.086 ( -4.029 9.270 0.000) 10.108 13.271 ( 6.989 -8.126 -0.000) 10.718 13.656 ( 6.918 0.101 -0.000) 6.919 13.812 ( -2.173 8.331 0.000) 8.610 14.326 ( -3.830 0.586 0.000) 3.874 21.491 ( 3.647 2.392 -0.000) 4.362 21.886 ( 7.367 -10.650 -0.000) 12.950 22.242 ( -2.965 8.684 0.000) 9.176 22.486 ( -1.442 0.108 0.000) 1.446 22.914 ( -8.105 -6.425 0.000) 10.343 23.713 ( 1.447 1.824 0.000) 2.329 23.798 ( -3.370 -1.077 0.000) 3.538 25.044 ( 7.090 9.602 0.000) 11.936 ======================= Grid point 153 (95/131) ======================= q-point: (-0.58 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -2.611 -12.927 -13.191) 18.653 3.075 ( -4.259 -11.930 -2.174) 12.853 3.339 ( -1.260 3.602 -0.129) 3.818 3.543 ( 4.767 -4.928 0.321) 6.864 3.748 ( -3.886 14.507 5.201) 15.893 4.523 ( -4.197 -6.157 9.477) 12.056 4.930 ( 4.014 -12.985 -6.765) 15.182 4.965 ( 2.320 -2.663 6.930) 7.778 5.371 ( -4.276 -4.368 -0.525) 6.135 5.654 ( 6.079 -2.913 3.495) 7.594 5.765 ( 1.854 -13.103 -4.298) 13.914 6.006 ( -3.742 -7.335 -0.625) 8.258 6.684 ( 6.666 9.424 0.960) 11.583 6.933 ( -1.272 7.331 4.060) 8.476 7.392 ( -9.717 10.019 -5.350) 14.947 8.170 ( 5.079 -11.520 5.388) 13.695 8.744 ( 3.788 8.378 1.961) 9.401 9.080 ( -2.546 -3.358 9.305) 10.215 9.830 ( -4.434 -1.606 -15.484) 16.187 10.333 ( -4.099 5.866 5.435) 8.986 11.477 ( -3.535 -2.804 -12.033) 12.851 11.821 ( 17.000 8.466 -0.874) 19.012 12.069 ( -7.543 4.261 5.433) 10.226 13.052 ( 1.034 -1.442 1.482) 2.312 13.236 ( 0.189 -6.650 3.638) 7.583 13.314 ( -1.706 -6.123 1.375) 6.503 14.173 ( 6.557 6.843 0.813) 9.512 14.538 ( -5.989 11.753 -4.850) 14.054 21.540 ( -6.723 -0.838 0.791) 6.822 21.668 ( 12.692 4.819 -0.074) 13.576 22.456 ( 1.240 -0.115 -1.571) 2.005 22.471 ( -0.217 1.081 -0.602) 1.256 22.989 ( -8.965 2.964 -0.832) 9.478 23.749 ( 3.452 0.136 0.128) 3.457 23.842 ( -3.321 1.041 -1.361) 3.737 24.827 ( 2.512 -10.180 3.986) 11.217 ======================= Grid point 156 (96/131) ======================= q-point: (-0.58 -0.18 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.536 -13.996 -13.603) 19.525 2.773 ( 0.542 -12.457 -7.317) 14.457 3.315 ( -3.873 -1.812 3.845) 5.751 3.448 ( 0.963 -7.048 11.894) 13.859 4.012 ( -0.317 11.334 -5.303) 12.518 4.289 ( -2.925 -7.356 0.780) 7.955 4.732 ( 5.837 -11.402 -12.791) 18.102 4.937 ( 1.499 -2.886 9.977) 10.494 5.210 ( -4.451 -0.939 0.485) 4.574 5.515 ( 1.088 -9.682 0.857) 9.780 5.741 ( 1.945 -7.741 5.468) 9.674 5.899 ( 10.329 -6.024 5.198) 13.038 6.956 ( -7.114 2.721 5.330) 9.296 7.041 ( 10.629 6.543 1.876) 12.622 7.338 ( -14.807 9.993 2.096) 17.986 8.101 ( 7.516 -9.063 -3.304) 12.229 8.920 ( 2.848 3.659 4.012) 6.131 8.981 ( -1.303 -2.876 7.681) 8.305 9.789 ( -2.574 5.173 -16.474) 17.457 10.369 ( -4.573 7.197 9.019) 12.412 11.339 ( -9.597 3.776 -18.688) 21.345 12.066 ( -0.512 0.517 4.184) 4.246 12.306 ( 13.203 8.317 2.769) 15.848 12.974 ( 2.663 -15.044 0.669) 15.293 13.058 ( -3.478 -2.946 -1.121) 4.694 13.227 ( 1.709 -1.488 8.289) 8.593 14.433 ( 0.756 10.497 -2.870) 10.909 14.603 ( -11.902 13.099 -3.164) 17.980 21.455 ( -4.421 2.995 1.587) 5.571 22.041 ( 8.860 3.756 0.366) 9.630 22.372 ( -3.680 -1.322 0.461) 3.938 22.520 ( 0.344 2.477 -5.906) 6.413 22.938 ( 1.105 4.288 -1.997) 4.857 23.776 ( -3.491 -0.531 -1.126) 3.706 23.821 ( 3.494 -0.902 -0.439) 3.636 24.589 ( -3.642 -11.410 7.561) 14.164 ======================= Grid point 157 (97/131) ======================= q-point: (-0.58 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 8.020 -3.145 -17.294) 19.320 2.636 ( 9.868 -11.930 -15.233) 21.720 3.196 ( -0.282 -1.300 7.059) 7.183 3.341 ( -0.862 -2.890 11.168) 11.567 4.141 ( 2.058 3.951 -2.915) 5.324 4.327 ( 12.694 -2.373 -7.214) 14.792 4.699 ( 4.533 -3.427 -3.028) 6.439 4.856 ( -5.133 -5.796 0.964) 7.802 5.164 ( -1.088 5.204 9.750) 11.105 5.378 ( 4.361 -9.378 -3.432) 10.897 5.655 ( 5.130 -5.954 10.571) 13.173 5.991 ( 8.832 -7.057 4.823) 12.291 6.807 ( -8.126 -0.038 4.973) 9.527 7.168 ( -4.427 0.804 3.763) 5.866 7.431 ( 0.999 13.087 2.818) 13.425 8.048 ( 4.721 -9.170 -2.753) 10.675 8.909 ( -2.366 -0.767 3.569) 4.351 9.025 ( 3.375 0.473 6.961) 7.750 9.879 ( -2.606 6.290 -16.837) 18.162 10.476 ( -1.415 10.424 7.367) 12.843 11.281 ( -7.379 6.803 -20.096) 22.463 11.912 ( -10.588 -4.580 4.316) 12.318 12.649 ( 3.946 1.030 0.156) 4.081 12.694 ( 7.172 -13.229 4.431) 15.686 13.028 ( 3.642 0.945 -0.843) 3.856 13.258 ( 3.353 -2.352 8.498) 9.433 14.435 ( -16.438 7.939 -4.428) 18.784 14.728 ( -4.733 12.912 -2.135) 13.917 21.466 ( -4.031 6.226 1.885) 7.652 21.964 ( -6.472 -6.529 1.203) 9.271 22.346 ( -2.555 3.601 -0.127) 4.417 22.567 ( 0.138 -0.558 -1.299) 1.421 23.273 ( 12.721 5.913 -15.521) 20.920 23.704 ( -2.357 -0.297 -0.725) 2.483 23.831 ( 3.129 -1.982 2.007) 4.213 24.331 ( -1.705 -5.627 13.340) 14.578 ======================= Grid point 160 (98/131) ======================= q-point: (-0.58 -0.18 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 13.898 -3.603 -19.750) 24.417 2.768 ( 17.296 0.013 -13.617) 22.013 3.265 ( 2.455 1.838 5.676) 6.452 3.382 ( 6.321 3.377 9.213) 11.672 4.129 ( -11.169 -3.074 -3.490) 12.099 4.568 ( 15.992 -5.323 3.303) 17.176 4.620 ( -1.522 -0.972 -2.478) 3.066 4.817 ( 6.207 2.563 5.735) 8.830 5.312 ( 8.364 -1.907 1.017) 8.638 5.391 ( 3.014 6.462 -0.607) 7.156 5.655 ( 6.501 -6.054 5.329) 10.359 5.968 ( 6.593 -7.960 3.322) 10.856 6.709 ( -6.334 4.580 2.801) 8.303 7.079 ( -8.008 2.392 4.044) 9.285 7.644 ( -3.389 5.045 -3.381) 6.955 7.960 ( 7.165 -6.924 4.880) 11.094 8.839 ( -5.289 0.952 2.709) 6.018 9.069 ( 3.123 -2.335 8.014) 8.912 9.891 ( -1.053 -0.793 -17.292) 17.342 10.556 ( -7.403 0.013 6.833) 10.074 11.346 ( -1.887 11.707 -15.424) 19.456 11.688 ( -5.557 3.089 -0.739) 6.400 12.377 ( -5.076 -10.688 4.224) 12.563 12.893 ( 9.648 0.721 -0.681) 9.699 13.177 ( 5.766 1.987 4.533) 7.599 13.247 ( 2.948 -4.650 5.746) 7.958 14.251 ( -14.681 6.861 -1.978) 16.325 14.773 ( -9.538 4.630 -4.438) 11.494 21.536 ( -4.449 9.310 0.961) 10.363 21.714 ( -3.316 -7.645 1.661) 8.497 22.394 ( -2.149 5.672 -1.264) 6.196 22.524 ( -0.631 -2.494 0.309) 2.591 23.256 ( -1.889 -11.475 -10.370) 15.581 23.696 ( -0.718 2.229 -0.136) 2.346 23.914 ( 1.226 -1.775 -3.608) 4.203 24.466 ( 12.031 7.987 13.554) 19.805 ======================= Grid point 173 (99/131) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -1.043 29.252 0.000) 29.271 2.542 ( -22.134 24.477 0.000) 33.001 3.579 ( -0.714 -7.760 -0.000) 7.793 3.621 ( 2.805 -6.920 -0.000) 7.467 3.925 ( -2.645 -6.382 -0.000) 6.908 4.259 ( 8.447 28.138 0.000) 29.378 5.040 ( 8.847 1.385 -0.000) 8.955 5.051 ( -1.706 -6.714 -0.000) 6.927 5.307 ( 3.773 3.421 -0.000) 5.093 5.813 ( 3.968 -6.761 -0.000) 7.840 5.973 ( -3.858 5.320 0.000) 6.572 6.315 ( 0.822 3.152 0.000) 3.257 6.650 ( -16.508 -5.735 0.000) 17.476 7.095 ( -2.684 -20.782 -0.000) 20.955 7.239 ( 2.210 -4.695 -0.000) 5.190 8.279 ( 5.011 13.346 0.000) 14.256 8.438 ( 12.564 -8.102 -0.000) 14.950 9.182 ( -7.085 -4.591 0.000) 8.442 9.983 ( 0.775 12.453 0.000) 12.477 10.195 ( -1.058 -6.471 -0.000) 6.557 11.365 ( 8.486 9.915 0.000) 13.051 11.759 ( -17.020 6.204 0.000) 18.116 11.997 ( -0.108 -15.518 -0.000) 15.518 13.171 ( -1.892 -6.407 -0.000) 6.680 13.258 ( 7.512 4.471 -0.000) 8.741 13.640 ( -1.329 -7.582 -0.000) 7.698 13.963 ( 6.601 2.947 -0.000) 7.229 14.275 ( -5.811 2.019 0.000) 6.151 21.597 ( 8.292 -0.768 -0.000) 8.327 21.697 ( -7.638 -6.242 0.000) 9.864 22.411 ( 7.733 2.274 -0.000) 8.060 22.479 ( -1.215 -0.019 0.000) 1.215 22.765 ( -8.044 5.545 0.000) 9.770 23.750 ( 1.804 -0.645 -0.000) 1.916 23.773 ( -1.285 2.673 0.000) 2.965 25.163 ( 1.928 -6.339 -0.000) 6.626 ======================= Grid point 174 (100/131) ======================= q-point: (-0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -3.156 -7.300 -28.611) 29.695 1.576 ( 4.640 -18.454 -25.671) 31.954 2.724 ( -0.926 -22.707 -45.260) 50.645 3.420 ( -0.453 -3.177 10.503) 10.982 3.438 ( 0.411 -4.846 10.472) 11.546 4.216 ( -0.277 3.790 -10.576) 11.238 4.645 ( -1.640 -3.961 3.555) 5.569 4.732 ( 1.761 -11.125 8.723) 14.246 5.469 ( 0.787 2.734 2.812) 4.000 5.503 ( -1.158 1.529 2.741) 3.345 5.650 ( 0.771 -0.375 11.994) 12.025 5.959 ( -0.333 1.064 18.128) 18.162 7.051 ( 2.536 5.178 1.268) 5.904 7.203 ( -2.382 -3.322 7.040) 8.140 7.465 ( -0.225 -13.584 0.806) 13.610 8.160 ( 0.057 8.559 10.891) 13.852 9.046 ( 1.553 -0.528 4.852) 5.122 9.065 ( -1.538 -2.517 5.472) 6.216 10.047 ( 0.084 26.338 -17.141) 31.424 10.955 ( -1.249 8.772 -6.390) 10.924 11.108 ( -4.364 0.613 -12.551) 13.302 11.608 ( 9.271 -3.358 -4.891) 11.007 12.037 ( -3.505 -30.275 4.045) 30.744 12.866 ( 1.355 6.810 -0.185) 6.946 12.964 ( -1.576 -2.647 -0.901) 3.210 13.423 ( 0.038 -1.431 17.490) 17.548 14.697 ( 0.270 5.597 -7.523) 9.381 15.294 ( -0.231 18.567 -1.353) 18.618 21.892 ( -4.428 12.520 -0.949) 13.314 22.035 ( 7.715 3.674 0.644) 8.570 22.470 ( -0.677 3.344 -3.312) 4.754 22.516 ( -1.313 0.779 -1.094) 1.878 22.692 ( -1.723 -6.217 -11.348) 13.054 23.681 ( 0.116 -1.571 -3.307) 3.663 23.776 ( -0.005 -2.856 3.575) 4.575 24.333 ( 0.270 -16.584 14.874) 22.279 ======================= Grid point 176 (101/131) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -14.470 21.089 0.000) 25.575 2.932 ( -0.578 7.138 0.000) 7.162 3.376 ( -3.555 -0.375 0.000) 3.575 3.518 ( 3.572 -8.024 -0.000) 8.783 3.710 ( -2.440 -3.600 -0.000) 4.349 4.566 ( -0.381 -6.824 -0.000) 6.835 4.886 ( -2.656 -4.714 -0.000) 5.411 5.265 ( 4.268 0.662 -0.000) 4.319 5.431 ( 4.419 -4.085 -0.000) 6.018 5.860 ( 3.683 0.129 -0.000) 3.686 6.005 ( 3.155 -2.056 -0.000) 3.765 6.069 ( -9.796 -3.701 0.000) 10.472 6.488 ( -2.045 4.982 0.000) 5.385 6.734 ( -6.336 -3.055 0.000) 7.034 7.265 ( 4.367 -2.299 -0.000) 4.935 8.514 ( 11.042 -8.708 -0.000) 14.063 8.658 ( 7.891 10.292 0.000) 12.969 8.967 ( -5.991 -3.463 0.000) 6.919 10.039 ( -1.541 -5.205 -0.000) 5.429 10.085 ( -4.357 2.388 0.000) 4.968 11.287 ( -20.956 9.329 0.000) 22.939 11.848 ( 3.287 -3.708 -0.000) 4.955 12.002 ( 11.519 10.609 -0.000) 15.660 13.085 ( 3.426 -3.620 -0.000) 4.984 13.351 ( -3.245 -3.492 -0.000) 4.767 13.479 ( 4.868 -9.237 -0.000) 10.442 14.150 ( 4.151 4.914 0.000) 6.433 14.177 ( -13.310 8.246 0.000) 15.657 21.486 ( -3.316 -4.499 -0.000) 5.589 21.874 ( 15.201 3.671 -0.000) 15.637 22.425 ( -3.739 0.288 0.000) 3.750 22.565 ( 3.745 1.414 -0.000) 4.003 22.671 ( -8.582 3.034 0.000) 9.103 23.778 ( -1.948 0.995 0.000) 2.187 23.802 ( 2.688 1.398 -0.000) 3.030 24.964 ( -6.736 -8.864 -0.000) 11.133 ======================= Grid point 177 (102/131) ======================= q-point: (-0.80 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -5.262 -10.801 -0.000) 12.015 2.791 ( -4.457 13.996 0.000) 14.689 3.315 ( -3.037 -3.255 -0.000) 4.451 3.420 ( 0.944 -8.457 -0.000) 8.509 3.988 ( 8.622 18.580 0.000) 20.483 4.198 ( -8.823 -11.308 -0.000) 14.343 4.782 ( -1.906 -1.068 0.000) 2.185 5.171 ( -7.386 -5.382 0.000) 9.139 5.264 ( 2.153 -15.039 -0.000) 15.192 5.840 ( 1.986 -0.779 -0.000) 2.134 5.988 ( 9.324 -12.851 -0.000) 15.877 6.073 ( 8.052 -2.516 -0.000) 8.436 6.653 ( -7.195 15.714 0.000) 17.283 6.675 ( -6.193 5.032 0.000) 7.980 7.295 ( 7.675 -4.478 -0.000) 8.886 8.498 ( 5.923 -10.191 -0.000) 11.788 8.835 ( -5.039 1.035 0.000) 5.145 8.917 ( 5.153 2.435 -0.000) 5.699 9.994 ( 1.089 1.245 0.000) 1.654 10.030 ( -2.211 1.931 0.000) 2.936 11.150 ( -12.802 11.245 0.000) 17.039 11.840 ( -4.150 -0.526 0.000) 4.183 12.413 ( 8.665 10.295 0.000) 13.456 13.148 ( 5.876 -0.480 -0.000) 5.896 13.169 ( -2.303 -5.189 -0.000) 5.677 13.313 ( 0.521 -14.262 -0.000) 14.272 14.093 ( -15.247 11.079 0.000) 18.847 14.320 ( 0.963 7.300 0.000) 7.363 21.376 ( -1.121 -2.497 -0.000) 2.737 22.103 ( -0.153 -1.458 -0.000) 1.466 22.361 ( -1.613 -3.097 -0.000) 3.492 22.614 ( 0.212 0.024 -0.000) 0.214 22.793 ( 10.091 15.682 0.000) 18.648 23.744 ( -1.507 -0.495 0.000) 1.587 23.892 ( 2.264 1.729 -0.000) 2.849 24.568 ( -13.350 -10.188 0.000) 16.793 ======================= Grid point 181 (103/131) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 5.789 4.064 -0.000) 7.073 2.964 ( 1.846 5.021 0.000) 5.350 3.235 ( 0.686 -1.408 -0.000) 1.566 3.243 ( -0.584 -3.807 -0.000) 3.851 4.021 ( -1.871 1.461 0.000) 2.374 4.522 ( 12.862 10.266 -0.000) 16.456 4.720 ( -10.712 6.783 0.000) 12.679 4.834 ( -11.045 -7.869 0.000) 13.562 5.130 ( 12.904 -10.611 -0.000) 16.706 5.765 ( 3.475 -11.813 -0.000) 12.313 6.015 ( 14.287 -9.100 -0.000) 16.939 6.158 ( 5.412 -3.363 -0.000) 6.372 6.600 ( -6.322 0.445 0.000) 6.337 6.722 ( -11.560 11.492 0.000) 16.300 7.447 ( 10.120 1.156 -0.000) 10.186 8.357 ( 1.401 -11.359 -0.000) 11.445 8.761 ( -7.185 2.449 0.000) 7.591 9.023 ( 4.715 0.083 -0.000) 4.716 10.068 ( 0.174 3.554 0.000) 3.558 10.145 ( 2.477 9.103 0.000) 9.434 11.226 ( -2.141 10.765 0.000) 10.976 11.569 ( -16.526 -5.238 0.000) 17.336 12.743 ( 5.473 8.648 0.000) 10.234 12.939 ( -3.605 -14.383 -0.000) 14.828 13.164 ( 4.817 -3.089 -0.000) 5.722 13.253 ( 5.255 -0.470 -0.000) 5.276 13.982 ( -14.405 7.471 0.000) 16.228 14.474 ( -2.784 9.381 0.000) 9.786 21.336 ( -0.144 -0.305 -0.000) 0.337 21.974 ( -3.679 -3.955 -0.000) 5.401 22.265 ( -1.844 -1.898 -0.000) 2.646 22.595 ( -0.849 -0.906 -0.000) 1.242 23.461 ( 12.627 17.971 0.000) 21.963 23.750 ( 5.707 2.654 -0.000) 6.295 23.882 ( -3.257 -6.802 -0.000) 7.542 24.115 ( -12.734 -3.896 0.000) 13.316 ======================= Grid point 183 (104/131) ======================= q-point: ( 0.20 0.80 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 8.622 13.301 0.000) 15.851 3.093 ( 7.257 0.605 -0.000) 7.283 3.300 ( 8.404 -0.920 -0.000) 8.454 3.348 ( 7.609 4.328 -0.000) 8.754 3.858 ( -18.495 -3.004 0.000) 18.738 4.562 ( -4.396 1.354 0.000) 4.600 4.656 ( 4.807 0.741 -0.000) 4.864 4.907 ( -0.099 4.382 0.000) 4.383 5.283 ( 10.741 1.285 -0.000) 10.818 5.618 ( 3.166 -9.414 -0.000) 9.932 6.094 ( 13.155 -10.700 -0.000) 16.957 6.197 ( 9.091 -3.510 -0.000) 9.745 6.497 ( -5.583 1.754 0.000) 5.852 6.714 ( -9.148 9.494 0.000) 13.184 7.700 ( 8.869 5.234 -0.000) 10.298 8.084 ( -3.804 -14.743 -0.000) 15.226 8.628 ( -10.504 2.011 0.000) 10.695 9.118 ( 6.681 -2.264 -0.000) 7.054 10.134 ( -2.319 5.210 0.000) 5.703 10.340 ( -0.509 1.530 0.000) 1.612 11.180 ( -14.940 6.040 0.000) 16.115 11.446 ( 5.588 7.045 0.000) 8.992 12.587 ( -3.147 -14.173 -0.000) 14.518 12.969 ( 2.058 7.165 0.000) 7.454 13.201 ( 5.190 -5.568 -0.000) 7.611 13.359 ( 6.634 -0.083 -0.000) 6.634 13.864 ( -10.445 7.181 0.000) 12.675 14.540 ( -7.304 6.612 0.000) 9.852 21.358 ( 0.509 2.133 0.000) 2.193 21.848 ( 1.988 -7.181 -0.000) 7.451 22.235 ( -2.901 3.931 0.000) 4.886 22.554 ( -0.779 -1.586 -0.000) 1.767 23.482 ( -11.467 -11.215 0.000) 16.039 23.644 ( -0.175 2.017 0.000) 2.025 23.965 ( -4.340 -0.536 0.000) 4.373 24.320 ( 16.268 17.334 0.000) 23.773 ======================= Grid point 186 (105/131) ======================= q-point: ( 0.70 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -2.210 5.129 2.026) 5.942 2.915 ( 1.045 -3.375 4.304) 5.569 3.060 ( -1.228 -10.580 -2.719) 10.993 3.112 ( 1.886 -10.541 -0.763) 10.736 3.928 ( 0.329 -1.412 -1.850) 2.351 3.978 ( 0.061 1.494 1.881) 2.403 4.823 ( 0.641 -1.599 -0.944) 1.964 4.900 ( -0.678 -3.164 -0.167) 3.240 5.887 ( -2.470 9.975 -0.562) 10.292 5.991 ( 3.555 9.808 1.845) 10.594 6.301 ( 0.854 3.729 -0.290) 3.837 6.340 ( -4.601 -0.233 -2.787) 5.384 6.367 ( 2.853 -3.897 3.289) 5.843 6.555 ( -0.609 -2.785 -0.827) 2.968 7.809 ( 0.511 9.162 1.622) 9.319 8.206 ( -0.220 -9.625 -1.962) 9.825 8.824 ( -0.331 5.839 -2.493) 6.358 9.119 ( 0.452 -8.675 2.642) 9.079 9.650 ( 0.563 4.351 -0.654) 4.436 9.957 ( -0.510 -11.436 1.053) 11.496 11.091 ( 1.366 14.895 0.793) 14.978 11.617 ( -2.174 -8.597 -1.521) 8.997 12.529 ( 0.911 3.939 2.430) 4.717 12.814 ( -0.052 -8.969 -2.423) 9.291 13.405 ( -1.933 0.438 -0.218) 1.994 13.465 ( 1.599 -1.199 0.804) 2.154 13.819 ( 0.011 6.759 -0.882) 6.816 14.099 ( 0.122 -6.876 0.700) 6.912 21.541 ( 0.128 5.307 -0.145) 5.311 21.811 ( -0.179 -8.018 -0.693) 8.050 22.441 ( -1.222 4.190 -1.009) 4.479 22.514 ( 0.963 -0.254 0.259) 1.029 23.353 ( 0.638 12.725 4.343) 13.461 23.726 ( 0.397 2.144 -1.544) 2.672 23.834 ( -0.901 -2.515 0.363) 2.696 23.985 ( 0.189 -17.656 -1.806) 17.749 ======================= Grid point 188 (106/131) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( -15.767 -7.188 0.000) 17.328 3.153 ( -9.791 -0.077 0.000) 9.791 3.446 ( -1.419 2.045 0.000) 2.489 3.458 ( 9.901 -3.822 -0.000) 10.613 3.684 ( 12.073 3.599 -0.000) 12.598 4.615 ( 0.893 -9.302 -0.000) 9.345 4.774 ( -11.507 17.360 0.000) 20.827 4.884 ( 8.095 4.487 -0.000) 9.255 5.454 ( -4.000 -7.095 -0.000) 8.145 5.572 ( 7.680 6.661 -0.000) 10.166 6.104 ( 5.256 -7.911 -0.000) 9.497 6.319 ( -2.202 1.864 0.000) 2.885 6.563 ( 14.378 0.491 -0.000) 14.386 6.798 ( 4.834 5.107 0.000) 7.032 7.584 ( -12.097 -18.917 -0.000) 22.454 8.024 ( 9.074 10.151 0.000) 13.615 8.451 ( -11.614 2.703 0.000) 11.924 9.184 ( 7.289 -5.319 -0.000) 9.024 10.143 ( -7.248 3.818 0.000) 8.192 10.197 ( -0.558 -6.363 -0.000) 6.388 11.263 ( -9.832 19.014 0.000) 21.405 11.707 ( 11.340 2.466 -0.000) 11.605 12.225 ( -3.354 -17.254 -0.000) 17.577 13.136 ( -0.533 8.518 0.000) 8.534 13.151 ( 4.666 -7.089 -0.000) 8.486 13.503 ( 8.142 -0.668 -0.000) 8.170 13.879 ( -4.835 8.621 0.000) 9.885 14.446 ( -8.103 0.117 0.000) 8.104 21.444 ( 0.981 5.133 0.000) 5.226 21.757 ( 5.368 -9.458 -0.000) 10.876 22.301 ( -2.947 8.035 0.000) 8.559 22.506 ( -0.608 -1.501 -0.000) 1.620 23.081 ( -8.616 -9.233 -0.000) 12.629 23.692 ( 0.706 2.307 0.000) 2.413 23.864 ( -3.328 -1.778 0.000) 3.774 24.872 ( 10.510 10.916 0.000) 15.153 ======================= Grid point 199 (107/131) ======================= q-point: (-0.53 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -2.781 -14.550 -18.708) 23.862 2.781 ( -0.192 -17.012 -9.188) 19.336 3.318 ( 3.141 -4.585 2.613) 6.141 3.425 ( 0.833 -6.699 12.328) 14.055 4.051 ( -3.645 13.333 -5.101) 14.733 4.420 ( -8.380 -9.281 2.723) 12.797 4.640 ( 2.741 -9.864 -11.928) 15.719 4.885 ( 3.587 -6.003 9.388) 11.706 5.264 ( -1.958 -3.970 1.478) 4.667 5.555 ( -3.981 -6.702 6.119) 9.911 5.592 ( 11.533 -4.877 1.525) 12.614 5.842 ( -3.935 -8.728 3.825) 10.310 6.841 ( 8.678 5.847 1.635) 10.591 7.067 ( -3.413 4.564 5.244) 7.744 7.597 ( -10.059 9.651 -0.935) 13.971 7.954 ( 6.093 -9.960 1.865) 11.824 8.869 ( 2.098 4.565 3.202) 5.958 9.020 ( -2.415 -2.543 7.877) 8.622 9.851 ( -3.052 4.434 -17.379) 18.194 10.481 ( -6.021 9.275 8.749) 14.100 11.474 ( -1.979 1.891 -19.137) 19.332 11.864 ( 15.360 -2.725 -2.482) 15.796 12.230 ( -3.730 10.344 9.263) 14.378 12.922 ( 2.169 -11.665 -0.824) 11.893 13.148 ( -5.036 -3.923 1.618) 6.585 13.205 ( 0.901 -3.435 7.982) 8.736 14.369 ( 4.884 12.879 -1.855) 13.898 14.778 ( -4.526 12.139 -4.339) 13.663 21.562 ( -6.271 3.359 1.075) 7.195 21.785 ( 14.003 6.808 0.131) 15.571 22.448 ( -2.789 -0.105 -0.545) 2.844 22.501 ( 2.072 1.476 -1.852) 3.147 23.033 ( -9.624 1.471 -5.420) 11.143 23.751 ( 3.319 -0.106 0.017) 3.321 23.852 ( -3.925 -0.212 -2.178) 4.494 24.589 ( 3.551 -13.834 9.475) 17.140 ======================= Grid point 200 (108/131) ======================= q-point: (-0.53 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 3.603 -8.383 -20.976) 22.875 2.491 ( 4.756 -15.286 -15.265) 22.120 3.219 ( -1.318 -5.522 7.448) 9.365 3.320 ( 2.825 -6.555 16.044) 17.561 4.067 ( 3.443 -13.000 -21.260) 25.156 4.219 ( -0.533 8.495 -5.126) 9.936 4.607 ( 3.030 -2.751 -2.219) 4.655 4.856 ( 4.299 -5.479 3.818) 7.942 5.231 ( -3.662 1.917 8.211) 9.192 5.363 ( -2.469 -4.257 2.226) 5.401 5.592 ( 0.680 -6.501 13.547) 15.041 5.778 ( 12.192 -6.416 4.252) 14.418 6.964 ( -7.009 -1.138 4.893) 8.623 7.094 ( 7.745 0.643 3.716) 8.614 7.532 ( -7.780 6.844 3.465) 10.926 7.945 ( 5.406 -6.061 -0.766) 8.158 8.942 ( -1.176 -0.739 3.730) 3.981 8.975 ( 1.541 1.644 5.478) 5.923 9.968 ( -5.167 12.500 -17.259) 21.928 10.541 ( -5.648 10.071 8.643) 14.423 11.426 ( -6.849 4.723 -22.211) 23.718 12.012 ( 3.353 -5.466 -0.318) 6.420 12.403 ( 10.304 -3.692 6.166) 12.562 12.703 ( -0.827 -7.138 3.804) 8.130 12.999 ( -0.955 -2.270 -1.186) 2.733 13.198 ( 2.655 -2.401 9.065) 9.746 14.653 ( -3.826 10.416 -6.239) 12.730 14.868 ( -9.909 13.801 0.292) 16.992 21.562 ( -5.559 7.993 1.126) 9.801 22.068 ( -0.901 -1.251 0.819) 1.745 22.391 ( -2.487 3.313 -0.156) 4.145 22.553 ( 1.142 0.792 -2.866) 3.185 23.033 ( 7.878 4.736 -10.511) 13.963 23.761 ( -3.012 -0.763 -1.892) 3.637 23.780 ( 2.003 -3.430 1.940) 4.420 24.345 ( 0.912 -12.642 11.535) 17.138 ======================= Grid point 203 (109/131) ======================= q-point: (-0.53 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 10.747 -3.155 -22.246) 24.907 2.438 ( 15.054 -5.322 -19.590) 25.273 3.193 ( 4.019 0.788 11.346) 12.063 3.283 ( 4.039 -2.263 11.220) 12.137 4.127 ( 16.269 -3.695 -19.793) 25.886 4.314 ( -0.708 -0.595 -4.117) 4.219 4.675 ( 7.240 0.922 3.433) 8.066 4.731 ( -4.263 -6.473 0.871) 7.799 5.215 ( 0.555 0.890 7.374) 7.448 5.341 ( 1.278 5.321 2.476) 6.006 5.553 ( 4.212 -4.810 13.064) 14.545 5.830 ( 7.991 -8.818 4.023) 12.562 6.828 ( -5.965 2.734 4.028) 7.700 7.155 ( 0.520 -1.741 5.147) 5.458 7.657 ( 2.816 8.772 2.509) 9.548 7.873 ( 0.924 -7.967 0.765) 8.057 8.910 ( -2.327 0.849 2.326) 3.398 9.017 ( 2.005 -1.211 6.512) 6.920 9.990 ( -9.314 4.294 -16.223) 19.193 10.681 ( -4.927 7.646 7.177) 11.587 11.419 ( -4.905 7.863 -20.568) 22.559 11.779 ( -3.841 -7.367 -2.278) 8.615 12.450 ( 2.505 -8.413 6.783) 11.093 12.687 ( 6.845 1.001 1.572) 7.094 13.058 ( 5.349 1.459 0.984) 5.631 13.194 ( 3.005 -3.564 8.835) 9.989 14.569 ( -16.000 5.587 -4.524) 17.541 14.949 ( -8.478 8.192 -1.557) 11.892 21.642 ( -6.194 11.248 0.076) 12.841 21.830 ( -8.138 -6.450 1.574) 10.502 22.435 ( -2.072 4.614 -1.388) 5.245 22.539 ( -0.853 -2.119 0.082) 2.286 23.238 ( 4.448 -8.564 -15.338) 18.122 23.716 ( -1.214 0.869 -0.235) 1.511 23.834 ( 6.684 1.524 -0.953) 6.921 24.257 ( 8.309 -1.050 16.388) 18.404 ======================= Grid point 218 (110/131) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 0.000 -29.946) 29.946 1.375 ( 0.000 0.000 -29.946) 29.946 2.479 ( 0.000 0.000 -52.925) 52.925 3.388 ( -0.000 -0.000 10.837) 10.837 3.388 ( -0.000 -0.000 10.837) 10.837 4.255 ( 0.000 0.000 -11.949) 11.949 4.599 ( -0.000 -0.000 3.580) 3.580 4.599 ( -0.000 -0.000 3.580) 3.580 5.504 ( -0.000 -0.000 3.288) 3.288 5.504 ( -0.000 -0.000 3.288) 3.288 5.662 ( -0.000 -0.000 13.135) 13.135 5.969 ( -0.000 -0.000 19.769) 19.769 7.166 ( -0.000 -0.000 5.979) 5.979 7.166 ( -0.000 -0.000 5.979) 5.979 7.254 ( 0.000 0.000 -5.157) 5.157 8.247 ( -0.000 -0.000 13.491) 13.491 9.040 ( -0.000 -0.000 4.109) 4.109 9.040 ( -0.000 -0.000 4.109) 4.109 10.400 ( 0.000 0.000 -7.211) 7.211 11.099 ( -0.000 -0.000 3.665) 3.665 11.134 ( 0.000 0.000 -24.505) 24.505 11.572 ( 0.000 0.000 -4.926) 4.926 11.572 ( 0.000 0.000 -4.926) 4.926 12.938 ( 0.000 0.000 -1.183) 1.183 12.938 ( 0.000 0.000 -1.183) 1.183 13.406 ( -0.000 -0.000 19.631) 19.631 14.752 ( 0.000 0.000 -8.007) 8.007 15.508 ( -0.000 -0.000 6.526) 6.526 22.072 ( -0.000 -0.000 0.784) 0.784 22.072 ( -0.000 -0.000 0.784) 0.784 22.524 ( 0.000 0.000 -1.128) 1.128 22.524 ( 0.000 0.000 -1.128) 1.128 22.595 ( 0.000 0.000 -13.386) 13.386 23.664 ( 0.000 0.000 -3.527) 3.527 23.717 ( -0.000 -0.000 5.923) 5.923 24.142 ( -0.000 -0.000 5.889) 5.889 ======================= Grid point 219 (111/131) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -16.624 16.228 0.000) 23.232 2.964 ( -3.373 15.526 0.000) 15.888 3.443 ( -2.293 -0.972 0.000) 2.491 3.461 ( 2.224 -7.961 -0.000) 8.266 3.725 ( 0.735 -12.668 -0.000) 12.690 4.534 ( 0.973 -0.346 -0.000) 1.032 4.931 ( -0.547 -5.801 -0.000) 5.827 5.088 ( 13.184 2.768 -0.000) 13.471 5.378 ( -0.049 2.633 0.000) 2.634 5.716 ( 7.712 -3.590 -0.000) 8.506 5.997 ( -2.572 -4.821 -0.000) 5.464 6.287 ( -6.718 -8.607 -0.000) 10.918 6.542 ( -2.612 -0.235 0.000) 2.623 6.825 ( -2.161 -4.508 -0.000) 4.999 7.293 ( -8.552 8.326 0.000) 11.935 8.264 ( 13.347 -9.249 -0.000) 16.239 8.526 ( 5.208 11.366 0.000) 12.503 9.077 ( -5.378 -5.561 -0.000) 7.736 10.093 ( -3.995 -3.044 0.000) 5.022 10.156 ( -2.072 4.310 0.000) 4.782 11.568 ( 5.052 10.251 0.000) 11.428 11.772 ( 3.913 -6.167 -0.000) 7.303 11.879 ( -10.694 5.369 0.000) 11.966 13.064 ( -1.551 -3.855 -0.000) 4.156 13.296 ( 7.192 -1.265 -0.000) 7.303 13.471 ( -2.364 -9.155 -0.000) 9.455 14.037 ( 7.105 4.729 -0.000) 8.535 14.381 ( -6.899 8.502 0.000) 10.949 21.589 ( -7.066 -4.461 0.000) 8.357 21.606 ( 11.211 1.800 -0.000) 11.355 22.456 ( 7.066 2.228 -0.000) 7.409 22.473 ( -1.836 -0.588 0.000) 1.928 22.879 ( -11.016 5.828 0.000) 12.463 23.744 ( 2.935 -0.004 -0.000) 2.935 23.821 ( -2.352 2.189 0.000) 3.213 25.008 ( 2.442 -9.490 -0.000) 9.800 ======================= Grid point 220 (112/131) ======================= q-point: (-0.75 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -6.743 -11.801 -0.000) 13.592 2.936 ( -9.157 8.778 0.000) 12.685 3.373 ( -2.940 -7.094 -0.000) 7.680 3.384 ( 1.516 -4.809 -0.000) 5.042 3.827 ( 6.925 15.998 0.000) 17.433 4.343 ( -5.012 -12.586 -0.000) 13.548 4.817 ( -1.581 -2.626 -0.000) 3.065 5.220 ( 3.474 -3.518 -0.000) 4.944 5.282 ( -2.981 -10.447 -0.000) 10.864 5.728 ( 6.782 -12.779 -0.000) 14.467 5.911 ( 7.516 -5.141 -0.000) 9.106 5.939 ( -2.985 -9.460 -0.000) 9.920 6.753 ( -0.106 17.565 0.000) 17.566 6.798 ( -5.835 6.161 0.000) 8.486 7.245 ( -5.128 0.309 0.000) 5.137 8.329 ( 11.030 -9.558 -0.000) 14.595 8.809 ( 5.390 5.020 -0.000) 7.366 8.911 ( -3.319 -2.050 0.000) 3.901 10.004 ( -2.769 2.069 0.000) 3.457 10.093 ( -3.866 -0.342 0.000) 3.882 11.472 ( -18.568 9.252 0.000) 20.746 11.852 ( 2.546 3.156 0.000) 4.055 12.186 ( 14.364 7.212 -0.000) 16.073 13.054 ( 3.164 0.522 -0.000) 3.207 13.229 ( -3.037 -8.729 -0.000) 9.242 13.274 ( 2.650 -10.801 -0.000) 11.122 14.270 ( 4.025 7.683 0.000) 8.674 14.391 ( -13.525 12.293 0.000) 18.277 21.425 ( -3.912 -1.468 0.000) 4.178 21.954 ( 13.588 4.392 -0.000) 14.280 22.403 ( -2.583 -2.107 0.000) 3.334 22.586 ( 2.851 0.735 -0.000) 2.945 22.778 ( -7.421 7.610 0.000) 10.629 23.790 ( -3.047 0.277 0.000) 3.059 23.827 ( 4.004 0.897 -0.000) 4.103 24.761 ( -5.747 -11.692 -0.000) 13.028 ======================= Grid point 224 (113/131) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -0.300 -3.173 -0.000) 3.187 2.950 ( -0.124 1.713 0.000) 1.717 3.221 ( 1.263 -5.635 -0.000) 5.775 3.261 ( -1.291 -7.642 -0.000) 7.750 4.067 ( -3.814 -1.049 0.000) 3.955 4.277 ( 10.510 9.180 -0.000) 13.955 4.827 ( 0.550 5.962 0.000) 5.987 5.002 ( -0.668 -10.591 -0.000) 10.612 5.061 ( -10.298 -5.863 0.000) 11.850 5.690 ( 16.439 -14.742 -0.000) 22.081 5.715 ( 2.303 -11.612 -0.000) 11.839 6.018 ( 8.721 -3.174 -0.000) 9.281 6.740 ( -7.728 1.346 0.000) 7.844 6.990 ( -14.724 15.499 0.000) 21.378 7.243 ( 10.192 0.241 -0.000) 10.195 8.294 ( 5.320 -10.404 -0.000) 11.685 8.853 ( -2.666 0.876 0.000) 2.806 8.939 ( 3.875 0.359 -0.000) 3.892 10.050 ( -0.137 3.898 0.000) 3.900 10.116 ( 0.324 7.441 0.000) 7.448 11.376 ( -11.638 11.615 0.000) 16.442 11.832 ( -9.382 -0.993 0.000) 9.434 12.575 ( 11.739 5.726 -0.000) 13.061 12.977 ( -0.561 -16.104 -0.000) 16.114 13.102 ( 1.278 -4.691 -0.000) 4.862 13.155 ( 4.398 0.686 -0.000) 4.451 14.308 ( -17.538 10.266 0.000) 20.321 14.500 ( 0.125 11.015 0.000) 11.016 21.364 ( -2.597 1.535 0.000) 3.017 22.057 ( -3.786 -3.789 -0.000) 5.356 22.308 ( -2.300 -0.735 0.000) 2.414 22.607 ( -0.174 -0.831 -0.000) 0.849 23.146 ( 15.779 19.069 0.000) 24.751 23.730 ( -1.754 -0.913 0.000) 1.977 23.887 ( 1.899 -2.944 -0.000) 3.503 24.360 ( -10.584 -10.547 0.000) 14.942 ======================= Grid point 226 (114/131) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 12.405 9.575 -0.000) 15.670 2.972 ( 4.762 -3.306 -0.000) 5.797 3.203 ( 6.469 -1.007 -0.000) 6.547 3.203 ( 3.579 -1.226 -0.000) 3.783 4.099 ( -4.873 5.327 0.000) 7.219 4.536 ( 7.458 -3.464 -0.000) 8.223 4.688 ( -9.026 -6.331 0.000) 11.025 4.867 ( 2.505 0.216 -0.000) 2.514 5.105 ( 6.420 9.888 0.000) 11.789 5.534 ( 4.786 -9.827 -0.000) 10.931 5.793 ( 16.941 -12.372 -0.000) 20.977 6.067 ( 5.369 -5.988 -0.000) 8.043 6.608 ( -5.930 1.141 0.000) 6.039 6.935 ( -12.045 8.542 0.000) 14.767 7.526 ( 8.542 6.868 -0.000) 10.961 8.126 ( -0.212 -12.021 -0.000) 12.022 8.793 ( -5.916 0.995 0.000) 5.999 9.013 ( 4.284 -1.140 -0.000) 4.434 10.122 ( 1.783 1.890 0.000) 2.598 10.336 ( 0.582 8.676 0.000) 8.695 11.454 ( -5.226 12.005 0.000) 13.093 11.493 ( -16.057 -1.369 0.000) 16.115 12.627 ( -1.086 -16.612 -0.000) 16.647 12.871 ( 8.101 4.407 -0.000) 9.222 13.110 ( 4.053 -2.490 -0.000) 4.757 13.241 ( 5.177 -0.844 -0.000) 5.246 14.133 ( -16.453 7.554 0.000) 18.105 14.668 ( -5.300 9.610 0.000) 10.975 21.377 ( -2.345 4.618 0.000) 5.179 21.853 ( -2.626 -7.684 -0.000) 8.120 22.294 ( -2.935 4.375 0.000) 5.268 22.567 ( -0.691 -1.895 -0.000) 2.017 23.660 ( -1.356 2.782 0.000) 3.095 23.671 ( -7.032 -13.265 -0.000) 15.013 23.956 ( 20.320 16.979 -0.000) 26.480 24.061 ( -5.401 -2.892 0.000) 6.127 ======================= Grid point 230 (115/131) ======================= q-point: ( 0.25 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 9.244 -4.350 -0.000) 10.216 3.169 ( 10.588 1.177 -0.000) 10.654 3.305 ( 2.660 4.273 0.000) 5.033 3.416 ( 12.500 2.223 -0.000) 12.696 3.784 ( -22.358 -3.963 0.000) 22.707 4.510 ( 4.267 -5.764 -0.000) 7.172 4.722 ( 7.786 5.088 -0.000) 9.301 4.953 ( -1.051 3.907 0.000) 4.046 5.438 ( 6.073 10.165 0.000) 11.841 5.478 ( 1.815 -5.403 -0.000) 5.700 5.887 ( 14.731 -8.597 -0.000) 17.056 6.119 ( 13.398 -4.279 -0.000) 14.065 6.558 ( -6.017 4.423 0.000) 7.468 6.860 ( -8.450 4.520 0.000) 9.583 7.784 ( -7.615 -15.611 -0.000) 17.369 7.851 ( 8.260 10.027 0.000) 12.991 8.663 ( -9.418 1.936 0.000) 9.615 9.056 ( 5.244 -3.750 -0.000) 6.447 10.191 ( 1.677 0.554 -0.000) 1.766 10.261 ( -5.916 -7.544 -0.000) 9.587 11.436 ( -7.775 17.713 0.000) 19.344 11.602 ( -0.536 8.313 0.000) 8.330 12.271 ( -1.440 -17.641 -0.000) 17.700 13.091 ( 5.288 5.390 0.000) 7.551 13.092 ( 1.515 -4.723 -0.000) 4.960 13.347 ( 7.428 -1.288 -0.000) 7.539 14.019 ( -9.782 7.955 0.000) 12.608 14.630 ( -9.982 1.823 0.000) 10.148 21.455 ( -2.157 7.911 0.000) 8.200 21.684 ( 1.820 -8.552 -0.000) 8.744 22.358 ( -2.772 7.404 0.000) 7.906 22.513 ( -0.203 -2.481 -0.000) 2.489 23.247 ( -7.899 -12.571 -0.000) 14.846 23.686 ( -0.131 2.469 0.000) 2.472 23.928 ( -3.107 -2.981 0.000) 4.306 24.621 ( 14.998 12.318 -0.000) 19.408 ======================= Grid point 233 (116/131) ======================= q-point: ( 0.75 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -5.043 -10.086 -0.000) 11.276 2.878 ( 5.043 10.086 -0.000) 11.276 2.914 ( -1.654 -3.308 0.000) 3.698 2.914 ( 1.654 3.308 0.000) 3.698 3.959 ( -1.164 -2.328 -0.000) 2.603 3.959 ( 1.164 2.328 -0.000) 2.603 4.839 ( -1.153 -2.306 -0.000) 2.578 4.839 ( 1.153 2.306 -0.000) 2.578 6.053 ( -2.200 -4.400 -0.000) 4.919 6.053 ( 2.200 4.400 -0.000) 4.919 6.295 ( -1.077 -2.155 0.000) 2.409 6.295 ( 1.077 2.155 -0.000) 2.409 6.459 ( -2.929 -5.859 -0.000) 6.550 6.459 ( 2.929 5.859 -0.000) 6.550 8.004 ( -4.644 -9.288 -0.000) 10.384 8.004 ( 4.644 9.288 -0.000) 10.384 8.956 ( -3.371 -6.741 -0.000) 7.537 8.956 ( 3.371 6.741 -0.000) 7.537 9.767 ( -3.434 -6.868 -0.000) 7.679 9.767 ( 3.434 6.868 -0.000) 7.679 11.388 ( -6.296 -12.593 -0.000) 14.079 11.388 ( 6.296 12.593 -0.000) 14.079 12.643 ( -3.395 -6.791 -0.000) 7.592 12.643 ( 3.395 6.791 -0.000) 7.592 13.435 ( -0.843 -1.686 -0.000) 1.885 13.435 ( 0.843 1.686 -0.000) 1.885 13.958 ( -3.226 -6.453 -0.000) 7.214 13.958 ( 3.226 6.453 -0.000) 7.214 21.663 ( -3.079 -6.158 -0.000) 6.885 21.663 ( 3.079 6.158 -0.000) 6.885 22.496 ( -0.753 -1.506 -0.000) 1.683 22.496 ( 0.753 1.506 -0.000) 1.683 23.642 ( -7.106 -14.211 -0.000) 15.889 23.642 ( 7.106 14.211 0.000) 15.889 23.781 ( -1.144 -2.287 0.000) 2.557 23.781 ( 1.144 2.287 -0.000) 2.557 ======================= Grid point 245 (117/131) ======================= q-point: (-0.48 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -2.925 -10.464 -23.729) 26.098 2.430 ( 1.903 -17.663 -16.886) 24.510 3.218 ( 1.445 -5.015 10.286) 11.534 3.272 ( 1.087 -7.973 13.518) 15.732 4.058 ( -2.300 -20.100 -27.611) 34.230 4.269 ( -3.354 7.947 -5.105) 10.023 4.619 ( -3.947 0.654 1.827) 4.399 4.744 ( 5.590 -7.137 4.913) 10.311 5.251 ( 1.523 2.074 8.086) 8.485 5.449 ( -5.375 -3.457 11.650) 13.288 5.512 ( 10.799 -3.289 3.526) 11.827 5.674 ( -5.762 -8.041 6.080) 11.612 6.925 ( 6.860 3.176 2.762) 8.048 7.095 ( -4.429 -1.190 5.888) 7.464 7.679 ( -6.618 -5.429 1.330) 8.663 7.839 ( 4.999 1.854 3.192) 6.214 8.935 ( 1.369 2.259 3.477) 4.366 8.985 ( -1.775 -0.981 4.844) 5.251 10.030 ( -0.513 13.954 -16.436) 21.567 10.683 ( -6.554 10.443 8.323) 14.875 11.531 ( -1.957 3.448 -23.062) 23.400 11.782 ( 12.488 -4.668 -3.029) 13.671 12.348 ( -2.287 -4.207 7.985) 9.311 12.703 ( 0.577 -4.828 2.903) 5.663 13.048 ( -2.798 -4.683 -0.207) 5.459 13.159 ( 0.747 -2.955 9.997) 10.451 14.652 ( 2.597 14.231 -4.849) 15.257 15.011 ( -2.526 11.480 -0.689) 11.775 21.681 ( -6.209 8.727 0.536) 10.724 21.922 ( 13.112 6.497 0.245) 14.636 22.462 ( -3.382 1.718 -0.782) 3.873 22.526 ( 1.829 1.010 -1.519) 2.583 23.042 ( -7.945 -0.706 -10.560) 13.234 23.738 ( 1.591 -1.564 1.183) 2.525 23.826 ( -2.481 -2.651 -2.998) 4.709 24.294 ( 3.585 -15.020 13.570) 20.557 ======================= Grid point 248 (118/131) ======================= q-point: (-0.48 -0.28 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 7.242 -2.639 -24.497) 25.681 2.212 ( 7.488 -11.492 -22.444) 26.303 3.138 ( 1.303 -2.359 12.603) 12.888 3.200 ( 4.254 -4.950 15.024) 16.380 3.823 ( 11.565 -9.933 -35.138) 38.303 4.365 ( -2.947 5.392 -3.141) 6.901 4.560 ( 3.006 -1.828 2.471) 4.299 4.726 ( 4.636 -7.047 -1.583) 8.583 5.266 ( -4.229 2.543 11.027) 12.081 5.363 ( -3.080 2.892 5.174) 6.679 5.496 ( 0.991 -3.450 17.207) 17.578 5.649 ( 9.951 -6.447 3.914) 12.486 6.947 ( -5.799 0.209 4.109) 7.111 7.091 ( 4.813 -0.876 5.304) 7.216 7.560 ( 5.229 -3.015 -2.244) 6.440 7.892 ( -1.426 0.303 8.171) 8.300 8.945 ( -1.458 0.835 1.938) 2.565 8.990 ( 1.014 -0.136 4.252) 4.373 10.231 ( -12.914 12.082 -14.774) 23.044 10.763 ( -4.360 11.566 7.214) 14.312 11.517 ( -4.595 4.552 -22.412) 23.326 11.838 ( -1.019 -12.243 -2.556) 12.548 12.178 ( 18.036 -11.654 -1.288) 21.512 12.726 ( -5.222 4.126 11.304) 13.118 12.981 ( 2.189 0.304 -0.569) 2.282 13.127 ( 3.602 -4.345 9.180) 10.776 14.812 ( -7.331 5.520 -7.830) 12.063 15.123 ( -8.776 10.568 3.909) 14.282 21.773 ( -6.780 12.979 -0.082) 14.643 22.008 ( -8.040 -4.325 0.838) 9.168 22.474 ( -1.806 4.154 -0.962) 4.631 22.551 ( -0.172 -0.879 -0.773) 1.184 23.079 ( 9.764 -1.578 -15.966) 18.781 23.691 ( 4.388 -4.606 7.360) 9.728 23.757 ( -0.930 0.538 -3.450) 3.614 24.131 ( 5.014 -7.767 11.462) 14.726 ======================= Grid point 265 (119/131) ======================= q-point: (-0.70 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -6.299 -10.568 -0.000) 12.303 3.099 ( -6.341 -3.321 0.000) 7.158 3.371 ( 0.777 -0.250 -0.000) 0.816 3.423 ( -1.548 -13.495 -0.000) 13.584 3.744 ( 0.901 21.086 0.000) 21.106 4.412 ( -3.314 -8.113 -0.000) 8.764 4.811 ( 2.805 -6.398 -0.000) 6.986 5.082 ( 8.231 -3.229 -0.000) 8.842 5.370 ( -5.592 -4.324 0.000) 7.068 5.607 ( 6.690 -8.679 -0.000) 10.959 5.812 ( 1.424 -10.948 -0.000) 11.040 6.027 ( -5.004 -13.913 -0.000) 14.785 6.668 ( 6.276 9.213 0.000) 11.148 6.882 ( -2.067 7.115 0.000) 7.409 7.473 ( -15.238 8.554 0.000) 17.475 8.084 ( 12.899 -8.650 -0.000) 15.531 8.717 ( 3.695 7.727 0.000) 8.565 8.980 ( -3.754 -3.857 -0.000) 5.382 10.106 ( -7.150 4.820 0.000) 8.623 10.164 ( -2.895 -2.084 0.000) 3.568 11.756 ( 6.752 3.563 -0.000) 7.635 11.763 ( 4.901 9.344 0.000) 10.552 11.945 ( -5.747 0.872 0.000) 5.813 13.033 ( -1.062 0.579 0.000) 1.210 13.188 ( 4.429 -9.465 -0.000) 10.450 13.305 ( -2.917 -7.372 -0.000) 7.928 14.165 ( 6.537 8.603 0.000) 10.805 14.590 ( -6.155 11.896 0.000) 13.394 21.530 ( -6.678 -1.244 0.000) 6.793 21.670 ( 13.490 4.642 -0.000) 14.266 22.459 ( -2.908 -0.757 0.000) 3.005 22.497 ( 6.114 1.835 -0.000) 6.384 22.993 ( -12.692 5.624 0.000) 13.882 23.748 ( 3.744 0.251 -0.000) 3.752 23.859 ( -3.730 1.579 0.000) 4.050 24.783 ( 3.655 -13.380 -0.000) 13.870 ======================= Grid point 269 (120/131) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -4.999 -8.401 -0.000) 9.776 2.946 ( 0.775 -5.820 -0.000) 5.871 3.182 ( 2.242 -10.329 -0.000) 10.570 3.304 ( -2.645 -5.936 -0.000) 6.499 4.149 ( 2.200 13.923 0.000) 14.096 4.171 ( -6.185 -3.208 0.000) 6.967 4.780 ( 3.603 -0.718 -0.000) 3.674 5.066 ( -5.097 -10.092 -0.000) 11.306 5.160 ( 3.494 -2.258 -0.000) 4.160 5.420 ( 6.560 -17.298 -0.000) 18.500 5.715 ( -1.941 -12.304 -0.000) 12.456 5.824 ( 10.427 -4.106 -0.000) 11.207 6.892 ( -7.200 2.585 0.000) 7.650 7.016 ( 10.514 6.296 -0.000) 12.254 7.313 ( -15.380 7.800 0.000) 17.245 8.143 ( 9.696 -9.291 -0.000) 13.428 8.872 ( 2.788 1.920 -0.000) 3.385 8.892 ( -1.769 0.137 0.000) 1.775 10.112 ( -6.310 8.149 0.000) 10.306 10.126 ( -0.982 4.836 0.000) 4.934 11.646 ( -15.066 8.123 0.000) 17.117 11.928 ( -0.435 3.486 0.000) 3.513 12.278 ( 18.001 2.465 -0.000) 18.169 12.973 ( 0.777 -15.852 -0.000) 15.871 13.086 ( 2.421 1.821 -0.000) 3.030 13.112 ( -1.973 -6.317 -0.000) 6.618 14.470 ( 2.811 12.678 0.000) 12.986 14.631 ( -13.977 11.425 0.000) 18.052 21.437 ( -4.741 2.904 0.000) 5.559 22.036 ( 8.051 3.326 -0.000) 8.711 22.366 ( -4.000 -0.956 0.000) 4.112 22.593 ( 1.805 -0.075 -0.000) 1.806 22.960 ( 0.794 10.418 0.000) 10.449 23.790 ( -4.041 -0.288 0.000) 4.051 23.825 ( 3.916 -1.499 -0.000) 4.193 24.501 ( -3.244 -14.454 -0.000) 14.813 ======================= Grid point 271 (121/131) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 6.825 3.248 -0.000) 7.559 2.887 ( 4.681 -6.961 -0.000) 8.389 3.116 ( 5.539 -4.379 -0.000) 7.060 3.117 ( 1.712 -6.663 -0.000) 6.880 4.139 ( -1.663 7.021 0.000) 7.216 4.359 ( 7.099 0.550 -0.000) 7.120 4.858 ( -1.585 -4.193 -0.000) 4.483 4.925 ( -12.147 -8.372 0.000) 14.752 4.984 ( 7.193 8.278 0.000) 10.966 5.401 ( 13.857 -13.119 -0.000) 19.082 5.498 ( 6.277 -9.050 -0.000) 11.013 5.935 ( 8.516 -5.553 -0.000) 10.166 6.746 ( -7.942 0.048 0.000) 7.942 7.123 ( -3.872 -0.106 0.000) 3.874 7.399 ( 1.758 12.851 0.000) 12.971 8.083 ( 4.634 -11.000 -0.000) 11.936 8.872 ( -2.617 1.000 0.000) 2.802 8.941 ( 2.901 -0.032 -0.000) 2.901 10.133 ( -4.099 4.264 0.000) 5.915 10.324 ( 0.622 12.887 0.000) 12.902 11.605 ( -9.123 11.346 0.000) 14.559 11.781 ( -12.256 -4.173 0.000) 12.947 12.638 ( -0.187 -17.192 -0.000) 17.193 12.644 ( 14.748 1.647 -0.000) 14.840 13.043 ( 2.585 -1.645 -0.000) 3.064 13.155 ( 3.565 -0.994 -0.000) 3.701 14.490 ( -18.742 8.085 0.000) 20.411 14.742 ( -2.200 12.688 0.000) 12.877 21.446 ( -4.488 6.923 0.000) 8.250 21.950 ( -6.702 -6.644 0.000) 9.437 22.348 ( -2.428 4.313 0.000) 4.949 22.581 ( -0.611 -1.733 -0.000) 1.837 23.521 ( 20.985 18.099 -0.000) 27.712 23.713 ( -2.447 -0.316 0.000) 2.467 23.752 ( -1.384 -10.994 -0.000) 11.081 24.166 ( -4.515 -8.689 -0.000) 9.792 ======================= Grid point 275 (122/131) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 8.531 -6.760 -0.000) 10.885 2.899 ( 14.592 3.974 -0.000) 15.124 3.181 ( 10.727 -1.392 -0.000) 10.817 3.229 ( 6.035 4.414 -0.000) 7.477 4.178 ( -14.730 1.524 0.000) 14.809 4.436 ( 4.341 -6.386 -0.000) 7.722 4.618 ( 0.765 0.095 -0.000) 0.771 4.878 ( 5.183 2.912 -0.000) 5.945 5.300 ( 8.381 7.400 -0.000) 11.181 5.386 ( 7.537 -7.023 -0.000) 10.302 5.590 ( 13.609 -5.257 -0.000) 14.589 5.929 ( 6.753 -7.493 -0.000) 10.087 6.669 ( -5.088 5.307 0.000) 7.352 7.033 ( -7.137 1.493 0.000) 7.291 7.706 ( 5.965 10.769 0.000) 12.311 7.880 ( -2.044 -12.928 -0.000) 13.088 8.809 ( -5.376 0.843 0.000) 5.442 8.979 ( 2.804 -2.194 -0.000) 3.560 10.145 ( 0.946 0.498 -0.000) 1.069 10.412 ( -8.391 -2.249 0.000) 8.687 11.577 ( -6.715 10.905 0.000) 12.806 11.684 ( -6.389 10.841 0.000) 12.583 12.293 ( -1.173 -17.005 -0.000) 17.045 12.928 ( 11.122 1.757 -0.000) 11.260 13.070 ( 1.286 -1.428 -0.000) 1.922 13.214 ( 5.997 -1.996 -0.000) 6.320 14.275 ( -15.964 6.679 0.000) 17.305 14.819 ( -8.600 4.712 0.000) 9.806 21.526 ( -4.923 10.598 0.000) 11.685 21.695 ( -3.145 -7.912 -0.000) 8.514 22.409 ( -2.401 6.560 0.000) 6.986 22.520 ( -0.556 -2.965 -0.000) 3.017 23.384 ( -5.817 -15.241 -0.000) 16.314 23.696 ( -0.754 1.870 0.000) 2.017 23.984 ( -2.374 -4.800 -0.000) 5.355 24.276 ( 19.803 13.931 -0.000) 24.212 ======================= Grid point 293 (123/131) ======================= q-point: (-0.43 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -1.852 -5.167 -25.987) 26.560 2.125 ( 1.671 -12.069 -23.257) 26.255 3.131 ( 0.981 -3.436 14.831) 15.256 3.142 ( -0.430 -4.663 14.037) 14.798 3.712 ( -0.514 -13.307 -40.404) 42.542 4.407 ( -0.826 6.058 -3.597) 7.094 4.564 ( -0.545 -4.566 5.487) 7.159 4.628 ( 1.008 -5.361 -4.193) 6.880 5.316 ( 0.668 3.621 12.559) 13.087 5.423 ( -2.291 0.514 16.281) 16.449 5.468 ( 6.330 -1.180 1.733) 6.668 5.536 ( -4.449 -5.711 8.892) 11.466 6.986 ( 3.373 3.219 3.736) 5.975 7.053 ( -2.907 -2.183 5.705) 6.765 7.507 ( -0.523 -8.968 -4.712) 10.144 7.905 ( 0.219 2.594 11.726) 12.011 8.965 ( 0.703 0.965 2.379) 2.662 8.976 ( -0.770 -0.144 2.578) 2.694 10.371 ( 0.655 18.248 -12.938) 22.378 10.871 ( -3.450 8.399 7.137) 11.549 11.598 ( -2.618 3.165 -22.618) 22.988 11.700 ( 8.804 -3.363 -3.459) 10.040 12.031 ( -3.249 -21.522 -3.433) 22.035 12.780 ( 0.521 7.769 12.546) 14.766 12.981 ( -1.335 -2.095 -0.635) 2.564 13.073 ( 0.650 -5.636 9.533) 11.093 14.872 ( 0.435 7.219 -8.181) 10.920 15.231 ( -0.432 9.900 5.678) 11.421 21.898 ( -5.517 12.243 0.064) 13.429 22.023 ( 7.981 3.465 0.407) 8.710 22.512 ( -1.700 2.817 -0.915) 3.415 22.541 ( 1.128 0.500 -0.980) 1.575 22.994 ( -3.023 -4.330 -14.819) 15.732 23.644 ( 0.148 -8.175 8.304) 11.654 23.771 ( 0.162 -1.736 -4.553) 4.875 24.064 ( 0.833 -6.929 9.872) 12.090 ======================= Grid point 313 (124/131) ======================= q-point: (-0.65 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -7.113 -10.098 -0.000) 12.352 2.930 ( 0.651 -11.241 -0.000) 11.260 3.159 ( -0.249 -12.301 -0.000) 12.304 3.317 ( 2.387 -7.285 -0.000) 7.666 4.161 ( -2.093 19.077 0.000) 19.191 4.300 ( -6.886 -2.651 0.000) 7.379 4.685 ( 5.368 -6.144 -0.000) 8.159 4.994 ( 8.638 -4.995 -0.000) 9.978 5.211 ( -9.203 -10.294 -0.000) 13.808 5.383 ( 1.452 -12.751 -0.000) 12.834 5.634 ( 7.699 -7.014 -0.000) 10.415 5.793 ( -5.751 -9.827 -0.000) 11.386 6.815 ( 9.199 5.070 -0.000) 10.504 7.006 ( -3.907 4.010 0.000) 5.598 7.611 ( -14.409 5.056 0.000) 15.270 7.930 ( 11.427 -6.922 -0.000) 13.360 8.831 ( 1.467 4.110 0.000) 4.364 8.932 ( -2.309 -1.027 0.000) 2.527 10.143 ( -0.577 1.630 0.000) 1.730 10.278 ( -9.295 11.798 0.000) 15.020 11.862 ( 6.654 5.961 -0.000) 8.934 11.891 ( 17.309 -1.429 -0.000) 17.368 11.964 ( -14.443 6.656 0.000) 15.903 12.954 ( 1.051 -13.882 -0.000) 13.921 13.059 ( 0.385 1.125 0.000) 1.189 13.164 ( -2.883 -6.794 -0.000) 7.380 14.392 ( 5.040 14.413 0.000) 15.269 14.822 ( -4.817 10.936 0.000) 11.950 21.550 ( -6.606 3.444 0.000) 7.450 21.785 ( 14.681 6.719 -0.000) 16.145 22.450 ( -4.047 0.072 0.000) 4.048 22.527 ( 4.885 1.200 -0.000) 5.030 23.098 ( -12.569 4.897 0.000) 13.489 23.748 ( 3.476 -0.403 -0.000) 3.499 23.882 ( -5.160 0.737 0.000) 5.212 24.476 ( 5.876 -17.558 -0.000) 18.515 ======================= Grid point 315 (125/131) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -0.277 -3.214 -0.000) 3.226 2.781 ( 5.413 -9.925 -0.000) 11.305 3.002 ( 4.959 -7.292 -0.000) 8.818 3.121 ( -0.893 -11.003 -0.000) 11.039 4.199 ( -4.169 4.389 0.000) 6.053 4.321 ( -3.314 3.420 0.000) 4.762 4.789 ( 11.105 -0.528 -0.000) 11.118 4.934 ( -4.717 -1.081 0.000) 4.839 5.070 ( 7.105 -17.474 -0.000) 18.863 5.129 ( 1.377 -1.153 -0.000) 1.796 5.495 ( -4.036 -8.809 -0.000) 9.690 5.734 ( 11.250 -5.086 -0.000) 12.346 6.904 ( -7.534 -0.730 0.000) 7.569 7.048 ( 8.049 -0.696 -0.000) 8.079 7.492 ( -8.074 8.109 0.000) 11.444 7.957 ( 7.529 -9.598 -0.000) 12.198 8.903 ( 0.940 1.484 0.000) 1.757 8.911 ( -1.465 1.440 0.000) 2.055 10.294 ( -11.515 9.430 0.000) 14.884 10.307 ( 1.246 13.400 0.000) 13.458 11.786 ( -8.374 5.860 0.000) 10.221 11.950 ( -4.325 -2.365 0.000) 4.929 12.310 ( 17.686 1.432 -0.000) 17.744 12.641 ( -0.257 -16.516 -0.000) 16.517 13.017 ( -0.193 -3.114 -0.000) 3.120 13.096 ( 2.484 -1.111 -0.000) 2.721 14.755 ( 0.805 15.204 0.000) 15.225 14.827 ( -14.091 8.246 0.000) 16.327 21.549 ( -5.864 8.586 0.000) 10.397 22.059 ( -1.278 -1.329 -0.000) 1.844 22.392 ( -2.684 3.746 0.000) 4.608 22.584 ( 0.657 -0.860 -0.000) 1.082 23.176 ( 10.604 11.029 0.000) 15.300 23.744 ( 1.582 -7.641 -0.000) 7.803 23.785 ( -4.476 0.110 0.000) 4.478 24.208 ( 1.009 -14.189 -0.000) 14.225 ======================= Grid point 319 (126/131) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 11.834 3.589 -0.000) 12.367 2.717 ( 6.967 -9.187 -0.000) 11.530 3.007 ( 6.481 -4.415 -0.000) 7.842 3.075 ( 8.979 0.538 -0.000) 8.995 4.306 ( -0.846 9.530 0.000) 9.567 4.341 ( 3.803 -1.950 -0.000) 4.273 4.723 ( -7.317 -11.543 -0.000) 13.666 4.822 ( 1.266 0.407 -0.000) 1.330 5.113 ( 9.587 4.418 -0.000) 10.556 5.191 ( 9.684 -8.384 -0.000) 12.809 5.410 ( 4.592 0.839 -0.000) 4.668 5.796 ( 7.560 -8.248 -0.000) 11.188 6.774 ( -5.867 3.413 0.000) 6.788 7.095 ( 1.008 -2.304 -0.000) 2.515 7.629 ( 1.993 9.974 0.000) 10.171 7.865 ( 3.301 -10.769 -0.000) 11.264 8.890 ( -3.112 0.667 0.000) 3.183 8.939 ( 1.188 -0.194 -0.000) 1.203 10.212 ( -8.348 3.550 0.000) 9.071 10.555 ( -5.414 7.491 0.000) 9.242 11.705 ( -6.130 -1.059 0.000) 6.221 11.813 ( -5.781 9.262 0.000) 10.918 12.328 ( -2.469 -13.575 -0.000) 13.798 12.656 ( 16.015 -0.124 -0.000) 16.015 13.032 ( 2.433 0.431 -0.000) 2.471 13.113 ( 4.103 -3.010 -0.000) 5.089 14.626 ( -18.487 5.644 0.000) 19.329 14.956 ( -5.110 7.675 0.000) 9.221 21.642 ( -6.505 12.788 0.000) 14.348 21.811 ( -8.484 -7.116 0.000) 11.073 22.452 ( -1.916 5.554 0.000) 5.875 22.537 ( -1.193 -2.766 -0.000) 3.012 23.471 ( -2.856 -16.225 -0.000) 16.475 23.689 ( 5.093 0.556 -0.000) 5.124 23.875 ( 16.365 14.683 -0.000) 21.986 24.014 ( -0.413 -6.951 -0.000) 6.964 ======================= Grid point 340 (127/131) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 0.000 -25.996) 25.996 1.998 ( 0.000 0.000 -25.996) 25.996 3.095 ( -0.000 -0.000 15.433) 15.433 3.095 ( -0.000 -0.000 15.433) 15.433 3.574 ( 0.000 0.000 -46.054) 46.054 4.511 ( -0.000 -0.000 3.768) 3.768 4.511 ( -0.000 -0.000 3.768) 3.768 4.526 ( 0.000 0.000 -11.003) 11.003 5.359 ( -0.000 -0.000 13.893) 13.893 5.450 ( -0.000 -0.000 26.131) 26.131 5.458 ( -0.000 -0.000 0.990) 0.990 5.458 ( -0.000 -0.000 0.990) 0.990 7.030 ( -0.000 -0.000 5.469) 5.469 7.030 ( -0.000 -0.000 5.469) 5.469 7.400 ( 0.000 0.000 -8.372) 8.372 7.930 ( -0.000 -0.000 14.667) 14.667 8.975 ( -0.000 -0.000 1.779) 1.779 8.975 ( -0.000 -0.000 1.779) 1.779 10.592 ( 0.000 0.000 -9.711) 9.711 10.984 ( -0.000 -0.000 6.778) 6.778 11.662 ( 0.000 0.000 -2.959) 2.959 11.662 ( 0.000 0.000 -2.959) 2.959 11.718 ( 0.000 0.000 -27.924) 27.924 12.915 ( -0.000 -0.000 24.674) 24.674 12.962 ( 0.000 0.000 -0.877) 0.877 12.962 ( 0.000 0.000 -0.877) 0.877 14.940 ( 0.000 0.000 -9.007) 9.007 15.341 ( -0.000 -0.000 8.509) 8.509 22.057 ( -0.000 -0.000 0.485) 0.485 22.057 ( -0.000 -0.000 0.485) 0.485 22.546 ( 0.000 0.000 -0.730) 0.730 22.546 ( 0.000 0.000 -0.730) 0.730 22.921 ( 0.000 0.000 -15.681) 15.681 23.537 ( -0.000 -0.000 10.514) 10.514 23.755 ( 0.000 0.000 -4.761) 4.761 24.004 ( -0.000 -0.000 6.358) 6.358 ======================= Grid point 361 (128/131) ======================= q-point: (-0.60 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -6.303 -6.989 -0.000) 9.411 2.693 ( 3.406 -12.109 -0.000) 12.579 2.954 ( -0.401 -8.127 -0.000) 8.137 3.112 ( 1.958 -11.810 -0.000) 11.972 4.283 ( -3.880 0.358 0.000) 3.896 4.442 ( -4.230 7.900 0.000) 8.961 4.575 ( 5.849 -4.805 -0.000) 7.569 4.884 ( 6.406 -7.238 -0.000) 9.666 5.048 ( -6.463 -4.034 0.000) 7.619 5.158 ( 0.211 -8.215 -0.000) 8.218 5.521 ( 9.348 -4.504 -0.000) 10.376 5.626 ( -8.327 -7.277 0.000) 11.058 6.885 ( 7.496 2.727 -0.000) 7.977 7.027 ( -4.755 -1.347 0.000) 4.942 7.665 ( -9.399 0.503 0.000) 9.412 7.802 ( 8.004 -6.261 -0.000) 10.162 8.896 ( 0.094 2.764 0.000) 2.765 8.932 ( -0.670 0.662 0.000) 0.942 10.271 ( 2.434 11.594 0.000) 11.847 10.528 ( -9.498 12.309 0.000) 15.548 11.811 ( 8.727 -4.725 -0.000) 9.924 11.950 ( 4.005 1.771 -0.000) 4.379 12.126 ( -4.467 8.225 0.000) 9.360 12.649 ( -0.471 -16.166 -0.000) 16.172 13.051 ( -2.876 -4.416 -0.000) 5.270 13.055 ( 1.705 -1.643 -0.000) 2.367 14.714 ( 3.309 17.152 0.000) 17.468 15.005 ( -3.289 7.348 0.000) 8.051 21.674 ( -6.699 9.153 0.000) 11.343 21.919 ( 13.443 6.399 -0.000) 14.889 22.469 ( -4.177 1.938 0.000) 4.605 22.545 ( 3.436 0.588 -0.000) 3.486 23.183 ( -10.234 3.657 0.000) 10.868 23.709 ( 1.597 -5.057 -0.000) 5.303 23.887 ( -5.840 -0.197 0.000) 5.843 24.112 ( 8.654 -17.420 -0.000) 19.451 ======================= Grid point 365 (129/131) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 5.128 -0.319 -0.000) 5.138 2.580 ( 6.575 -9.576 -0.000) 11.616 2.909 ( 6.639 -2.006 -0.000) 6.935 2.929 ( 1.916 -7.505 -0.000) 7.746 4.311 ( -0.258 7.023 0.000) 7.028 4.334 ( -3.569 -0.732 0.000) 3.644 4.721 ( 10.394 -4.123 -0.000) 11.182 4.741 ( 4.440 -15.344 -0.000) 15.973 5.013 ( -0.703 5.628 0.000) 5.672 5.109 ( -0.152 -1.285 -0.000) 1.294 5.397 ( -3.212 -0.749 0.000) 3.298 5.626 ( 9.196 -5.857 -0.000) 10.903 6.895 ( -5.812 0.466 0.000) 5.831 7.027 ( 4.813 -1.315 -0.000) 4.989 7.611 ( -0.088 4.268 0.000) 4.268 7.774 ( 5.123 -8.337 -0.000) 9.786 8.932 ( -0.281 1.284 0.000) 1.315 8.936 ( -1.502 0.840 0.000) 1.721 10.463 ( -15.822 7.346 0.000) 17.444 10.613 ( -0.376 14.973 0.000) 14.978 11.811 ( -4.335 -10.214 -0.000) 11.095 11.867 ( 2.307 2.129 -0.000) 3.139 12.349 ( 11.998 2.564 -0.000) 12.269 12.381 ( -2.257 -8.950 -0.000) 9.230 12.987 ( 1.570 -0.086 -0.000) 1.572 13.048 ( 2.647 -3.315 -0.000) 4.242 14.955 ( -13.414 4.709 0.000) 14.217 15.020 ( -1.426 10.140 0.000) 10.240 21.774 ( -6.602 13.585 0.000) 15.104 21.998 ( -8.401 -4.364 0.000) 9.467 22.485 ( -1.490 4.680 0.000) 4.911 22.560 ( -0.747 -1.581 -0.000) 1.749 23.370 ( 17.084 7.853 -0.000) 18.803 23.499 ( -0.057 -16.053 -0.000) 16.053 23.811 ( -2.350 2.960 0.000) 3.779 23.990 ( 3.018 -7.625 -0.000) 8.201 ======================= Grid point 411 (130/131) ======================= q-point: (-0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -3.585 -4.638 -0.000) 5.862 2.481 ( 3.079 -8.484 -0.000) 9.026 2.845 ( -0.557 -2.956 -0.000) 3.008 2.905 ( 0.816 -8.131 -0.000) 8.171 4.319 ( -0.611 3.839 0.000) 3.887 4.473 ( -4.707 -2.376 0.000) 5.273 4.497 ( 5.130 -3.045 -0.000) 5.965 4.677 ( 0.506 -12.389 -0.000) 12.399 5.066 ( -3.094 3.638 0.000) 4.776 5.095 ( 2.362 0.483 -0.000) 2.411 5.461 ( 6.599 -1.521 -0.000) 6.772 5.503 ( -6.374 -4.951 0.000) 8.071 6.937 ( 3.715 2.350 -0.000) 4.396 6.986 ( -3.193 -2.089 0.000) 3.815 7.648 ( -4.086 -1.558 0.000) 4.373 7.685 ( 3.811 -5.121 -0.000) 6.383 8.940 ( -0.305 1.592 0.000) 1.621 8.948 ( 0.216 0.774 0.000) 0.803 10.576 ( 3.929 17.414 0.000) 17.852 10.730 ( -6.479 7.471 0.000) 9.889 11.729 ( 5.516 -3.219 -0.000) 6.387 11.871 ( -1.589 -10.505 -0.000) 10.625 12.271 ( -2.362 5.943 0.000) 6.395 12.393 ( 1.198 -7.446 -0.000) 7.542 12.990 ( -1.929 -1.875 0.000) 2.690 13.005 ( 1.675 -2.798 -0.000) 3.261 15.017 ( 1.652 12.039 0.000) 12.152 15.110 ( -1.656 3.366 0.000) 3.751 21.897 ( -5.749 12.205 0.000) 13.491 22.019 ( 7.987 3.378 -0.000) 8.672 22.521 ( -2.209 2.818 0.000) 3.580 22.552 ( 1.823 0.199 -0.000) 1.834 23.239 ( -5.763 1.967 0.000) 6.089 23.473 ( 2.834 -16.803 -0.000) 17.041 23.878 ( -4.307 -0.610 0.000) 4.350 23.901 ( 5.406 -4.033 -0.000) 6.745 ======================= Grid point 460 (131/131) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.820 ( -0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 4.439 ( -0.000 0.000 0.000) 0.000 4.439 ( -0.000 0.000 0.000) 0.000 4.464 ( -0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 5.111 ( -0.000 0.000 0.000) 0.000 5.111 ( -0.000 0.000 0.000) 0.000 5.449 ( -0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 6.963 ( -0.000 0.000 0.000) 0.000 6.963 ( -0.000 0.000 0.000) 0.000 7.628 ( -0.000 0.000 0.000) 0.000 7.628 ( -0.000 -0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 8.956 ( -0.000 0.000 0.000) 0.000 10.806 ( -0.000 0.000 0.000) 0.000 10.806 ( -0.000 0.000 0.000) 0.000 11.695 ( -0.000 0.000 0.000) 0.000 11.695 ( -0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.335 ( -0.000 0.000 0.000) 0.000 12.972 ( -0.000 0.000 0.000) 0.000 12.972 ( -0.000 0.000 0.000) 0.000 15.143 ( -0.000 0.000 0.000) 0.000 15.143 ( -0.000 0.000 0.000) 0.000 22.052 ( -0.000 0.000 0.000) 0.000 22.052 ( -0.000 0.000 0.000) 0.000 22.554 ( -0.000 0.000 0.000) 0.000 22.554 ( -0.000 0.000 0.000) 0.000 23.259 ( -0.000 0.000 0.000) 0.000 23.259 ( -0.000 0.000 0.000) 0.000 23.871 ( 0.000 0.000 0.000) 0.000 23.871 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 1953.027 1953.027 658.256 -0.000 -0.000 0.000 3/28800 20.0 903.806 903.806 460.688 -0.000 -0.000 0.000 3/28800 30.0 339.540 339.540 220.609 -0.000 -0.000 0.000 3/28800 40.0 171.643 171.643 116.961 -0.000 -0.000 0.000 3/28800 50.0 106.565 106.565 73.369 -0.000 -0.000 0.000 3/28800 60.0 75.275 75.275 51.993 -0.000 -0.000 0.000 3/28800 70.0 57.601 57.601 39.856 -0.000 -0.000 0.000 3/28800 80.0 46.419 46.419 32.169 -0.000 -0.000 0.000 3/28800 90.0 38.767 38.767 26.909 -0.000 -0.000 0.000 3/28800 100.0 33.229 33.229 23.106 -0.000 -0.000 0.000 3/28800 110.0 29.053 29.053 20.238 -0.000 -0.000 0.000 3/28800 120.0 25.801 25.801 18.006 -0.000 -0.000 0.000 3/28800 130.0 23.203 23.203 16.223 -0.000 -0.000 0.000 3/28800 140.0 21.084 21.084 14.766 -0.000 -0.000 0.000 3/28800 150.0 19.324 19.324 13.555 -0.000 -0.000 0.000 3/28800 160.0 17.841 17.841 12.532 -0.000 -0.000 0.000 3/28800 170.0 16.573 16.573 11.657 -0.000 -0.000 0.000 3/28800 180.0 15.479 15.479 10.900 -0.000 -0.000 0.000 3/28800 190.0 14.524 14.524 10.238 -0.000 -0.000 0.000 3/28800 200.0 13.683 13.683 9.655 -0.000 -0.000 0.000 3/28800 210.0 12.938 12.938 9.137 -0.000 -0.000 0.000 3/28800 220.0 12.272 12.272 8.673 -0.000 -0.000 0.000 3/28800 230.0 11.674 11.674 8.256 -0.000 -0.000 0.000 3/28800 240.0 11.134 11.134 7.878 -0.000 -0.000 0.000 3/28800 250.0 10.643 10.643 7.535 -0.000 -0.000 0.000 3/28800 260.0 10.195 10.195 7.221 -0.000 -0.000 0.000 3/28800 270.0 9.784 9.784 6.934 -0.000 -0.000 0.000 3/28800 280.0 9.407 9.407 6.669 -0.000 -0.000 0.000 3/28800 290.0 9.058 9.058 6.424 -0.000 -0.000 0.000 3/28800 300.0 8.735 8.735 6.197 -0.000 -0.000 0.000 3/28800 310.0 8.436 8.436 5.986 -0.000 -0.000 0.000 3/28800 320.0 8.156 8.156 5.790 -0.000 -0.000 0.000 3/28800 330.0 7.896 7.896 5.606 -0.000 -0.000 0.000 3/28800 340.0 7.652 7.652 5.434 -0.000 -0.000 0.000 3/28800 350.0 7.423 7.423 5.273 -0.000 -0.000 0.000 3/28800 360.0 7.207 7.207 5.121 -0.000 -0.000 0.000 3/28800 370.0 7.004 7.004 4.978 -0.000 -0.000 0.000 3/28800 380.0 6.813 6.813 4.842 -0.000 -0.000 0.000 3/28800 390.0 6.632 6.632 4.714 -0.000 -0.000 0.000 3/28800 400.0 6.461 6.461 4.593 -0.000 -0.000 0.000 3/28800 410.0 6.298 6.298 4.478 -0.000 -0.000 0.000 3/28800 420.0 6.144 6.144 4.369 -0.000 -0.000 0.000 3/28800 430.0 5.997 5.997 4.265 -0.000 -0.000 0.000 3/28800 440.0 5.857 5.857 4.166 -0.000 -0.000 0.000 3/28800 450.0 5.724 5.724 4.072 -0.000 -0.000 0.000 3/28800 460.0 5.597 5.597 3.982 -0.000 -0.000 0.000 3/28800 470.0 5.475 5.475 3.896 -0.000 -0.000 0.000 3/28800 480.0 5.359 5.359 3.813 -0.000 -0.000 0.000 3/28800 490.0 5.247 5.247 3.734 -0.000 -0.000 0.000 3/28800 500.0 5.140 5.140 3.658 -0.000 -0.000 0.000 3/28800 510.0 5.038 5.038 3.586 -0.000 -0.000 0.000 3/28800 520.0 4.940 4.940 3.516 -0.000 -0.000 0.000 3/28800 530.0 4.845 4.845 3.449 -0.000 -0.000 0.000 3/28800 540.0 4.754 4.754 3.384 -0.000 -0.000 0.000 3/28800 550.0 4.666 4.666 3.322 -0.000 -0.000 0.000 3/28800 560.0 4.582 4.582 3.262 -0.000 -0.000 0.000 3/28800 570.0 4.501 4.501 3.205 -0.000 -0.000 0.000 3/28800 580.0 4.422 4.422 3.149 -0.000 -0.000 0.000 3/28800 590.0 4.347 4.347 3.095 -0.000 -0.000 0.000 3/28800 600.0 4.273 4.273 3.043 -0.000 -0.000 0.000 3/28800 610.0 4.203 4.203 2.993 -0.000 -0.000 0.000 3/28800 620.0 4.134 4.134 2.944 -0.000 -0.000 0.000 3/28800 630.0 4.068 4.068 2.897 -0.000 -0.000 0.000 3/28800 640.0 4.004 4.004 2.852 -0.000 -0.000 0.000 3/28800 650.0 3.942 3.942 2.808 -0.000 -0.000 0.000 3/28800 660.0 3.882 3.882 2.765 -0.000 -0.000 0.000 3/28800 670.0 3.823 3.823 2.723 -0.000 -0.000 0.000 3/28800 680.0 3.767 3.767 2.683 -0.000 -0.000 0.000 3/28800 690.0 3.712 3.712 2.644 -0.000 -0.000 0.000 3/28800 700.0 3.659 3.659 2.606 -0.000 -0.000 0.000 3/28800 710.0 3.607 3.607 2.569 -0.000 -0.000 0.000 3/28800 720.0 3.557 3.557 2.534 -0.000 -0.000 0.000 3/28800 730.0 3.508 3.508 2.499 -0.000 -0.000 0.000 3/28800 740.0 3.460 3.460 2.465 -0.000 -0.000 0.000 3/28800 750.0 3.414 3.414 2.432 -0.000 -0.000 0.000 3/28800 760.0 3.369 3.369 2.400 -0.000 -0.000 0.000 3/28800 770.0 3.325 3.325 2.369 -0.000 -0.000 0.000 3/28800 780.0 3.282 3.282 2.338 -0.000 -0.000 0.000 3/28800 790.0 3.240 3.240 2.309 -0.000 -0.000 0.000 3/28800 800.0 3.200 3.200 2.280 -0.000 -0.000 0.000 3/28800 810.0 3.160 3.160 2.251 -0.000 -0.000 0.000 3/28800 820.0 3.121 3.121 2.224 -0.000 -0.000 0.000 3/28800 830.0 3.084 3.084 2.197 -0.000 -0.000 0.000 3/28800 840.0 3.047 3.047 2.171 -0.000 -0.000 0.000 3/28800 850.0 3.011 3.011 2.145 -0.000 -0.000 0.000 3/28800 860.0 2.976 2.976 2.120 -0.000 -0.000 0.000 3/28800 870.0 2.941 2.941 2.096 -0.000 -0.000 0.000 3/28800 880.0 2.908 2.908 2.072 -0.000 -0.000 0.000 3/28800 890.0 2.875 2.875 2.049 -0.000 -0.000 0.000 3/28800 900.0 2.843 2.843 2.026 -0.000 -0.000 0.000 3/28800 910.0 2.812 2.812 2.004 -0.000 -0.000 0.000 3/28800 920.0 2.781 2.781 1.982 -0.000 -0.000 0.000 3/28800 930.0 2.751 2.751 1.961 -0.000 -0.000 0.000 3/28800 940.0 2.722 2.722 1.940 -0.000 -0.000 0.000 3/28800 950.0 2.693 2.693 1.919 -0.000 -0.000 0.000 3/28800 960.0 2.665 2.665 1.899 -0.000 -0.000 0.000 3/28800 970.0 2.638 2.638 1.880 -0.000 -0.000 0.000 3/28800 980.0 2.611 2.611 1.861 -0.000 -0.000 0.000 3/28800 990.0 2.584 2.584 1.842 -0.000 -0.000 0.000 3/28800 1000.0 2.559 2.559 1.824 -0.000 -0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m21040.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:18:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|