----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:31:49]------------------------- 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: [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.851298427731904 -4.149913904999999 0.000000000000000 b 5.851298427731904 4.149913904999999 0.000000000000000 c -0.429565310300984 0.000000000000000 6.441258458226665 Atomic positions (fractional): *1 S 0.64947275586819 0.35052724413181 0.25000000000000 32.065 2 S 0.35052724413181 0.64947275586819 0.75000000000000 32.065 *3 S 0.12099070439891 0.15404811324165 0.00082023755590 32.065 4 S 0.84595188675835 0.87900929560108 0.49917976244410 32.065 5 S 0.15404811324165 0.12099070439891 0.50082023755590 32.065 6 S 0.87900929560108 0.84595188675835 0.99917976244410 32.065 *7 K 0.82284703245581 0.49341789094563 0.71922364925855 39.098 8 K 0.49341789094563 0.82284703245581 0.21922364925856 39.098 9 K 0.50658210905437 0.17715296754419 0.78077635074145 39.098 10 K 0.17715296754419 0.50658210905437 0.28077635074145 39.098 *11 Ti 0.08476339950389 0.91523660049611 0.75000000000000 47.867 12 Ti 0.91523660049611 0.08476339950389 0.25000000000000 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.702596855463808 0.000000000000000 0.000000000000000 b 0.000000000000000 8.299827809999998 0.000000000000000 c -0.429565310300984 0.000000000000000 6.441258458226665 Atomic positions (fractional): *1 S 0.50000000000000 0.85052724413181 0.25000000000000 32.065 > 1 2 S 0.50000000000000 0.14947275586819 0.75000000000000 32.065 > 2 *3 S 0.13751940882028 0.01652870442137 0.00082023755590 32.065 > 3 4 S 0.86248059117972 0.01652870442137 0.49917976244410 32.065 > 4 5 S 0.13751940882028 0.98347129557863 0.50082023755590 32.065 > 5 6 S 0.86248059117972 0.98347129557863 0.99917976244410 32.065 > 6 7 S 0.00000000000000 0.35052724413181 0.25000000000000 32.065 > 1 8 S 0.00000000000000 0.64947275586819 0.75000000000000 32.065 > 2 9 S 0.63751940882028 0.51652870442137 0.00082023755590 32.065 > 3 10 S 0.36248059117972 0.51652870442137 0.49917976244410 32.065 > 4 11 S 0.63751940882028 0.48347129557863 0.50082023755590 32.065 > 5 12 S 0.36248059117972 0.48347129557863 0.99917976244410 32.065 > 6 *13 K 0.65813246170072 0.83528542924491 0.71922364925855 39.098 > 7 14 K 0.65813246170072 0.16471457075509 0.21922364925856 39.098 > 8 15 K 0.34186753829928 0.83528542924491 0.78077635074145 39.098 > 9 16 K 0.34186753829928 0.16471457075509 0.28077635074145 39.098 > 10 17 K 0.15813246170072 0.33528542924491 0.71922364925855 39.098 > 7 18 K 0.15813246170072 0.66471457075509 0.21922364925856 39.098 > 8 19 K 0.84186753829928 0.33528542924491 0.78077635074145 39.098 > 9 20 K 0.84186753829928 0.66471457075509 0.28077635074145 39.098 > 10 *21 Ti 0.50000000000000 0.41523660049611 0.75000000000000 47.867 > 11 22 Ti 0.50000000000000 0.58476339950389 0.25000000000000 47.867 > 12 23 Ti 0.00000000000000 0.91523660049611 0.75000000000000 47.867 > 11 24 Ti 0.00000000000000 0.08476339950389 0.25000000000000 47.867 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.702596855463808 0.000000000000000 0.000000000000000 b 0.000000000000000 16.599655619999997 0.000000000000000 c -0.859130620601968 0.000000000000000 12.882516916453330 Atomic positions (fractional): *1 S 0.50000000000000 0.42526362206590 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.92526362206590 0.12500000000000 32.065 > 1 3 S 0.50000000000000 0.42526362206590 0.62500000000000 32.065 > 1 4 S 0.50000000000000 0.92526362206590 0.62500000000000 32.065 > 1 5 S 0.50000000000000 0.07473637793410 0.37500000000000 32.065 > 2 6 S 0.50000000000000 0.57473637793410 0.37500000000000 32.065 > 2 7 S 0.50000000000000 0.07473637793410 0.87500000000000 32.065 > 2 8 S 0.50000000000000 0.57473637793410 0.87500000000000 32.065 > 2 *9 S 0.13751940882028 0.00826435221068 0.00041011877795 32.065 > 3 10 S 0.13751940882028 0.50826435221068 0.00041011877795 32.065 > 3 11 S 0.13751940882028 0.00826435221068 0.50041011877795 32.065 > 3 12 S 0.13751940882028 0.50826435221068 0.50041011877795 32.065 > 3 13 S 0.86248059117972 0.00826435221068 0.24958988122205 32.065 > 4 14 S 0.86248059117972 0.50826435221068 0.24958988122205 32.065 > 4 15 S 0.86248059117972 0.00826435221068 0.74958988122205 32.065 > 4 16 S 0.86248059117972 0.50826435221068 0.74958988122205 32.065 > 4 17 S 0.13751940882028 0.49173564778932 0.25041011877795 32.065 > 5 18 S 0.13751940882028 0.99173564778932 0.25041011877795 32.065 > 5 19 S 0.13751940882028 0.49173564778932 0.75041011877795 32.065 > 5 20 S 0.13751940882028 0.99173564778932 0.75041011877795 32.065 > 5 21 S 0.86248059117972 0.49173564778932 0.49958988122205 32.065 > 6 22 S 0.86248059117972 0.99173564778932 0.49958988122205 32.065 > 6 23 S 0.86248059117972 0.49173564778932 0.99958988122205 32.065 > 6 24 S 0.86248059117972 0.99173564778932 0.99958988122205 32.065 > 6 25 S 0.00000000000000 0.17526362206590 0.12500000000000 32.065 > 1 26 S 0.00000000000000 0.67526362206590 0.12500000000000 32.065 > 1 27 S 0.00000000000000 0.17526362206590 0.62500000000000 32.065 > 1 28 S 0.00000000000000 0.67526362206590 0.62500000000000 32.065 > 1 29 S 0.00000000000000 0.32473637793410 0.37500000000000 32.065 > 2 30 S 0.00000000000000 0.82473637793410 0.37500000000000 32.065 > 2 31 S 0.00000000000000 0.32473637793410 0.87500000000000 32.065 > 2 32 S 0.00000000000000 0.82473637793410 0.87500000000000 32.065 > 2 33 S 0.63751940882028 0.25826435221068 0.00041011877795 32.065 > 3 34 S 0.63751940882028 0.75826435221068 0.00041011877795 32.065 > 3 35 S 0.63751940882028 0.25826435221068 0.50041011877795 32.065 > 3 36 S 0.63751940882028 0.75826435221068 0.50041011877795 32.065 > 3 37 S 0.36248059117972 0.25826435221068 0.24958988122205 32.065 > 4 38 S 0.36248059117972 0.75826435221068 0.24958988122205 32.065 > 4 39 S 0.36248059117972 0.25826435221068 0.74958988122205 32.065 > 4 40 S 0.36248059117972 0.75826435221068 0.74958988122205 32.065 > 4 41 S 0.63751940882028 0.24173564778932 0.25041011877795 32.065 > 5 42 S 0.63751940882028 0.74173564778932 0.25041011877795 32.065 > 5 43 S 0.63751940882028 0.24173564778932 0.75041011877795 32.065 > 5 44 S 0.63751940882028 0.74173564778932 0.75041011877795 32.065 > 5 45 S 0.36248059117972 0.24173564778932 0.49958988122205 32.065 > 6 46 S 0.36248059117972 0.74173564778932 0.49958988122205 32.065 > 6 47 S 0.36248059117972 0.24173564778932 0.99958988122205 32.065 > 6 48 S 0.36248059117972 0.74173564778932 0.99958988122205 32.065 > 6 *49 K 0.65813246170072 0.41764271462245 0.35961182462928 39.098 > 7 50 K 0.65813246170072 0.91764271462245 0.35961182462928 39.098 > 7 51 K 0.65813246170072 0.41764271462245 0.85961182462928 39.098 > 7 52 K 0.65813246170072 0.91764271462245 0.85961182462928 39.098 > 7 53 K 0.65813246170072 0.08235728537755 0.10961182462928 39.098 > 8 54 K 0.65813246170072 0.58235728537755 0.10961182462928 39.098 > 8 55 K 0.65813246170072 0.08235728537755 0.60961182462928 39.098 > 8 56 K 0.65813246170072 0.58235728537755 0.60961182462928 39.098 > 8 57 K 0.34186753829928 0.41764271462245 0.39038817537072 39.098 > 9 58 K 0.34186753829928 0.91764271462245 0.39038817537072 39.098 > 9 59 K 0.34186753829928 0.41764271462245 0.89038817537072 39.098 > 9 60 K 0.34186753829928 0.91764271462245 0.89038817537072 39.098 > 9 61 K 0.34186753829928 0.08235728537755 0.14038817537072 39.098 > 10 62 K 0.34186753829928 0.58235728537755 0.14038817537072 39.098 > 10 63 K 0.34186753829928 0.08235728537755 0.64038817537072 39.098 > 10 64 K 0.34186753829928 0.58235728537755 0.64038817537072 39.098 > 10 65 K 0.15813246170072 0.16764271462245 0.35961182462928 39.098 > 7 66 K 0.15813246170072 0.66764271462245 0.35961182462928 39.098 > 7 67 K 0.15813246170072 0.16764271462245 0.85961182462928 39.098 > 7 68 K 0.15813246170072 0.66764271462245 0.85961182462928 39.098 > 7 69 K 0.15813246170072 0.33235728537755 0.10961182462928 39.098 > 8 70 K 0.15813246170072 0.83235728537755 0.10961182462928 39.098 > 8 71 K 0.15813246170072 0.33235728537755 0.60961182462928 39.098 > 8 72 K 0.15813246170072 0.83235728537755 0.60961182462928 39.098 > 8 73 K 0.84186753829928 0.16764271462245 0.39038817537072 39.098 > 9 74 K 0.84186753829928 0.66764271462245 0.39038817537072 39.098 > 9 75 K 0.84186753829928 0.16764271462245 0.89038817537072 39.098 > 9 76 K 0.84186753829928 0.66764271462245 0.89038817537072 39.098 > 9 77 K 0.84186753829928 0.33235728537755 0.14038817537072 39.098 > 10 78 K 0.84186753829928 0.83235728537755 0.14038817537072 39.098 > 10 79 K 0.84186753829928 0.33235728537755 0.64038817537072 39.098 > 10 80 K 0.84186753829928 0.83235728537755 0.64038817537072 39.098 > 10 *81 Ti 0.50000000000000 0.20761830024806 0.37500000000000 47.867 > 11 82 Ti 0.50000000000000 0.70761830024806 0.37500000000000 47.867 > 11 83 Ti 0.50000000000000 0.20761830024806 0.87500000000000 47.867 > 11 84 Ti 0.50000000000000 0.70761830024806 0.87500000000000 47.867 > 11 85 Ti 0.50000000000000 0.29238169975194 0.12500000000000 47.867 > 12 86 Ti 0.50000000000000 0.79238169975194 0.12500000000000 47.867 > 12 87 Ti 0.50000000000000 0.29238169975194 0.62500000000000 47.867 > 12 88 Ti 0.50000000000000 0.79238169975194 0.62500000000000 47.867 > 12 89 Ti 0.00000000000000 0.45761830024806 0.37500000000000 47.867 > 11 90 Ti 0.00000000000000 0.95761830024806 0.37500000000000 47.867 > 11 91 Ti 0.00000000000000 0.45761830024806 0.87500000000000 47.867 > 11 92 Ti 0.00000000000000 0.95761830024806 0.87500000000000 47.867 > 11 93 Ti 0.00000000000000 0.04238169975194 0.12500000000000 47.867 > 12 94 Ti 0.00000000000000 0.54238169975194 0.12500000000000 47.867 > 12 95 Ti 0.00000000000000 0.04238169975194 0.62500000000000 47.867 > 12 96 Ti 0.00000000000000 0.54238169975194 0.62500000000000 47.867 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9543793 0.0000000 -0.3716525 0.0000000 4.5684931 0.0000000 -0.3716371 0.0000000 10.5373670 -------------------------- Born effective charges -------------------------- 1 S -0.9614737 0.0000000 -0.0166999 0.0000000 -3.4569611 0.0000000 0.1415856 0.0000000 -1.1131488 2 S -0.9614737 0.0000000 -0.0166999 0.0000000 -3.4569611 0.0000000 0.1415856 0.0000000 -1.1131488 3 S -1.6633800 -0.0184058 0.1768088 -0.0971796 -0.8783891 -0.4551547 -0.2573673 -1.7868454 -4.8124154 4 S -1.6633800 0.0184058 0.1768088 0.0971796 -0.8783891 0.4551547 -0.2573673 1.7868454 -4.8124154 5 S -1.6633800 0.0184058 0.1768088 0.0971796 -0.8783891 0.4551547 -0.2573673 1.7868454 -4.8124154 6 S -1.6633800 -0.0184058 0.1768088 -0.0971796 -0.8783891 -0.4551547 -0.2573673 -1.7868454 -4.8124154 7 K 1.3246991 0.3742314 0.0434447 0.1722445 1.3401746 0.0729388 0.0484376 0.0239940 1.1889708 8 K 1.3246991 -0.3742314 0.0434447 -0.1722445 1.3401746 -0.0729388 0.0484376 -0.0239940 1.1889708 9 K 1.3246991 -0.3742314 0.0434447 -0.1722445 1.3401746 -0.0729388 0.0484376 -0.0239940 1.1889708 10 K 1.3246991 0.3742314 0.0434447 0.1722445 1.3401746 0.0729388 0.0484376 0.0239940 1.1889708 11 Ti 1.6388356 0.0000000 -0.4238072 0.0000000 2.5333901 0.0000000 0.2762738 0.0000000 8.3600378 12 Ti 1.6388356 0.0000000 -0.4238072 0.0000000 2.5333901 0.0000000 0.2762738 0.0000000 8.3600378 ---------------------------------------------------------------------------- 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: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1376 Number of blocks in projector: 1376 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1376, 1349), data: False |-- (176, 172), data: True |-- (176, 172), data: True |-- (176, 172), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (304, 297), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.528 Solver_block: 200 / 400 - Time: 1.556 Solver_block: 300 / 400 - Time: 1.555 Solver_block: 400 / 400 - Time: 1.560 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.241 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1376 Number of blocks in projector: 1376 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1376, 1349), data: False |-- (176, 172), data: True |-- (176, 172), data: True |-- (176, 172), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (304, 297), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:32:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:32:10]------------------------- 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): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.851298427731904 -4.149913904999999 0.000000000000000 b 5.851298427731904 4.149913904999999 0.000000000000000 c -0.429565310300984 0.000000000000000 6.441258458226665 Atomic positions (fractional): 1 S 0.64947275586819 0.35052724413181 0.25000000000000 32.065 2 S 0.35052724413181 0.64947275586819 0.75000000000000 32.065 3 S 0.12099070439891 0.15404811324165 0.00082023755590 32.065 4 S 0.84595188675835 0.87900929560108 0.49917976244410 32.065 5 S 0.15404811324165 0.12099070439891 0.50082023755590 32.065 6 S 0.87900929560108 0.84595188675835 0.99917976244410 32.065 7 K 0.82284703245581 0.49341789094563 0.71922364925855 39.098 8 K 0.49341789094563 0.82284703245581 0.21922364925856 39.098 9 K 0.50658210905437 0.17715296754419 0.78077635074145 39.098 10 K 0.17715296754419 0.50658210905437 0.28077635074145 39.098 11 Ti 0.08476339950389 0.91523660049611 0.75000000000000 47.867 12 Ti 0.91523660049611 0.08476339950389 0.25000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.702596855463808 0.000000000000000 0.000000000000000 b 0.000000000000000 16.599655619999997 0.000000000000000 c -0.859130620601968 0.000000000000000 12.882516916453330 Atomic positions (fractional): 1 S 0.50000000000000 0.42526362206590 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.92526362206590 0.12500000000000 32.065 > 1 3 S 0.50000000000000 0.42526362206590 0.62500000000000 32.065 > 1 4 S 0.50000000000000 0.92526362206590 0.62500000000000 32.065 > 1 5 S 0.50000000000000 0.07473637793410 0.37500000000000 32.065 > 5 6 S 0.50000000000000 0.57473637793410 0.37500000000000 32.065 > 5 7 S 0.50000000000000 0.07473637793410 0.87500000000000 32.065 > 5 8 S 0.50000000000000 0.57473637793410 0.87500000000000 32.065 > 5 9 S 0.13751940882028 0.00826435221068 0.00041011877795 32.065 > 9 10 S 0.13751940882028 0.50826435221068 0.00041011877795 32.065 > 9 11 S 0.13751940882028 0.00826435221068 0.50041011877795 32.065 > 9 12 S 0.13751940882028 0.50826435221068 0.50041011877795 32.065 > 9 13 S 0.86248059117972 0.00826435221068 0.24958988122205 32.065 > 13 14 S 0.86248059117972 0.50826435221068 0.24958988122205 32.065 > 13 15 S 0.86248059117972 0.00826435221068 0.74958988122205 32.065 > 13 16 S 0.86248059117972 0.50826435221068 0.74958988122205 32.065 > 13 17 S 0.13751940882028 0.49173564778932 0.25041011877795 32.065 > 17 18 S 0.13751940882028 0.99173564778932 0.25041011877795 32.065 > 17 19 S 0.13751940882028 0.49173564778932 0.75041011877795 32.065 > 17 20 S 0.13751940882028 0.99173564778932 0.75041011877795 32.065 > 17 21 S 0.86248059117972 0.49173564778932 0.49958988122205 32.065 > 21 22 S 0.86248059117972 0.99173564778932 0.49958988122205 32.065 > 21 23 S 0.86248059117972 0.49173564778932 0.99958988122205 32.065 > 21 24 S 0.86248059117972 0.99173564778932 0.99958988122205 32.065 > 21 25 S 0.00000000000000 0.17526362206590 0.12500000000000 32.065 > 1 26 S 0.00000000000000 0.67526362206590 0.12500000000000 32.065 > 1 27 S 0.00000000000000 0.17526362206590 0.62500000000000 32.065 > 1 28 S 0.00000000000000 0.67526362206590 0.62500000000000 32.065 > 1 29 S 0.00000000000000 0.32473637793410 0.37500000000000 32.065 > 5 30 S 0.00000000000000 0.82473637793410 0.37500000000000 32.065 > 5 31 S 0.00000000000000 0.32473637793410 0.87500000000000 32.065 > 5 32 S 0.00000000000000 0.82473637793410 0.87500000000000 32.065 > 5 33 S 0.63751940882028 0.25826435221068 0.00041011877795 32.065 > 9 34 S 0.63751940882028 0.75826435221068 0.00041011877795 32.065 > 9 35 S 0.63751940882028 0.25826435221068 0.50041011877795 32.065 > 9 36 S 0.63751940882028 0.75826435221068 0.50041011877795 32.065 > 9 37 S 0.36248059117972 0.25826435221068 0.24958988122205 32.065 > 13 38 S 0.36248059117972 0.75826435221068 0.24958988122205 32.065 > 13 39 S 0.36248059117972 0.25826435221068 0.74958988122205 32.065 > 13 40 S 0.36248059117972 0.75826435221068 0.74958988122205 32.065 > 13 41 S 0.63751940882028 0.24173564778932 0.25041011877795 32.065 > 17 42 S 0.63751940882028 0.74173564778932 0.25041011877795 32.065 > 17 43 S 0.63751940882028 0.24173564778932 0.75041011877795 32.065 > 17 44 S 0.63751940882028 0.74173564778932 0.75041011877795 32.065 > 17 45 S 0.36248059117972 0.24173564778932 0.49958988122205 32.065 > 21 46 S 0.36248059117972 0.74173564778932 0.49958988122205 32.065 > 21 47 S 0.36248059117972 0.24173564778932 0.99958988122205 32.065 > 21 48 S 0.36248059117972 0.74173564778932 0.99958988122205 32.065 > 21 49 K 0.65813246170072 0.41764271462245 0.35961182462928 39.098 > 49 50 K 0.65813246170072 0.91764271462245 0.35961182462928 39.098 > 49 51 K 0.65813246170072 0.41764271462245 0.85961182462928 39.098 > 49 52 K 0.65813246170072 0.91764271462245 0.85961182462928 39.098 > 49 53 K 0.65813246170072 0.08235728537755 0.10961182462928 39.098 > 53 54 K 0.65813246170072 0.58235728537755 0.10961182462928 39.098 > 53 55 K 0.65813246170072 0.08235728537755 0.60961182462928 39.098 > 53 56 K 0.65813246170072 0.58235728537755 0.60961182462928 39.098 > 53 57 K 0.34186753829928 0.41764271462245 0.39038817537072 39.098 > 57 58 K 0.34186753829928 0.91764271462245 0.39038817537072 39.098 > 57 59 K 0.34186753829928 0.41764271462245 0.89038817537072 39.098 > 57 60 K 0.34186753829928 0.91764271462245 0.89038817537072 39.098 > 57 61 K 0.34186753829928 0.08235728537755 0.14038817537072 39.098 > 61 62 K 0.34186753829928 0.58235728537755 0.14038817537072 39.098 > 61 63 K 0.34186753829928 0.08235728537755 0.64038817537072 39.098 > 61 64 K 0.34186753829928 0.58235728537755 0.64038817537072 39.098 > 61 65 K 0.15813246170072 0.16764271462245 0.35961182462928 39.098 > 49 66 K 0.15813246170072 0.66764271462245 0.35961182462928 39.098 > 49 67 K 0.15813246170072 0.16764271462245 0.85961182462928 39.098 > 49 68 K 0.15813246170072 0.66764271462245 0.85961182462928 39.098 > 49 69 K 0.15813246170072 0.33235728537755 0.10961182462928 39.098 > 53 70 K 0.15813246170072 0.83235728537755 0.10961182462928 39.098 > 53 71 K 0.15813246170072 0.33235728537755 0.60961182462928 39.098 > 53 72 K 0.15813246170072 0.83235728537755 0.60961182462928 39.098 > 53 73 K 0.84186753829928 0.16764271462245 0.39038817537072 39.098 > 57 74 K 0.84186753829928 0.66764271462245 0.39038817537072 39.098 > 57 75 K 0.84186753829928 0.16764271462245 0.89038817537072 39.098 > 57 76 K 0.84186753829928 0.66764271462245 0.89038817537072 39.098 > 57 77 K 0.84186753829928 0.33235728537755 0.14038817537072 39.098 > 61 78 K 0.84186753829928 0.83235728537755 0.14038817537072 39.098 > 61 79 K 0.84186753829928 0.33235728537755 0.64038817537072 39.098 > 61 80 K 0.84186753829928 0.83235728537755 0.64038817537072 39.098 > 61 81 Ti 0.50000000000000 0.20761830024806 0.37500000000000 47.867 > 81 82 Ti 0.50000000000000 0.70761830024806 0.37500000000000 47.867 > 81 83 Ti 0.50000000000000 0.20761830024806 0.87500000000000 47.867 > 81 84 Ti 0.50000000000000 0.70761830024806 0.87500000000000 47.867 > 81 85 Ti 0.50000000000000 0.29238169975194 0.12500000000000 47.867 > 85 86 Ti 0.50000000000000 0.79238169975194 0.12500000000000 47.867 > 85 87 Ti 0.50000000000000 0.29238169975194 0.62500000000000 47.867 > 85 88 Ti 0.50000000000000 0.79238169975194 0.62500000000000 47.867 > 85 89 Ti 0.00000000000000 0.45761830024806 0.37500000000000 47.867 > 81 90 Ti 0.00000000000000 0.95761830024806 0.37500000000000 47.867 > 81 91 Ti 0.00000000000000 0.45761830024806 0.87500000000000 47.867 > 81 92 Ti 0.00000000000000 0.95761830024806 0.87500000000000 47.867 > 81 93 Ti 0.00000000000000 0.04238169975194 0.12500000000000 47.867 > 85 94 Ti 0.00000000000000 0.54238169975194 0.12500000000000 47.867 > 85 95 Ti 0.00000000000000 0.04238169975194 0.62500000000000 47.867 > 85 96 Ti 0.00000000000000 0.54238169975194 0.62500000000000 47.867 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9543793 0.0000000 -0.3716525 0.0000000 4.5684931 0.0000000 -0.3716371 0.0000000 10.5373670 -------------------------- Born effective charges -------------------------- 1 S -0.9614737 0.0000000 -0.0166999 0.0000000 -3.4569611 0.0000000 0.1415856 0.0000000 -1.1131488 2 S -0.9614737 0.0000000 -0.0166999 0.0000000 -3.4569611 0.0000000 0.1415856 0.0000000 -1.1131488 3 S -1.6633800 -0.0184058 0.1768088 -0.0971796 -0.8783891 -0.4551547 -0.2573673 -1.7868454 -4.8124154 4 S -1.6633800 0.0184058 0.1768088 0.0971796 -0.8783891 0.4551547 -0.2573673 1.7868454 -4.8124154 5 S -1.6633800 0.0184058 0.1768088 0.0971796 -0.8783891 0.4551547 -0.2573673 1.7868454 -4.8124154 6 S -1.6633800 -0.0184058 0.1768088 -0.0971796 -0.8783891 -0.4551547 -0.2573673 -1.7868454 -4.8124154 7 K 1.3246991 0.3742314 0.0434447 0.1722445 1.3401746 0.0729388 0.0484376 0.0239940 1.1889708 8 K 1.3246991 -0.3742314 0.0434447 -0.1722445 1.3401746 -0.0729388 0.0484376 -0.0239940 1.1889708 9 K 1.3246991 -0.3742314 0.0434447 -0.1722445 1.3401746 -0.0729388 0.0484376 -0.0239940 1.1889708 10 K 1.3246991 0.3742314 0.0434447 0.1722445 1.3401746 0.0729388 0.0484376 0.0239940 1.1889708 11 Ti 1.6388356 0.0000000 -0.4238072 0.0000000 2.5333901 0.0000000 0.2762738 0.0000000 8.3600378 12 Ti 1.6388356 0.0000000 -0.4238072 0.0000000 2.5333901 0.0000000 0.2762738 0.0000000 8.3600378 ---------------------------------------------------------------------------- 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:32:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:32:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.851298427731904 -4.149913904999999 0.000000000000000 b 5.851298427731904 4.149913904999999 0.000000000000000 c -0.429565310300984 0.000000000000000 6.441258458226665 Atomic positions (fractional): 1 S 0.64947275586819 0.35052724413181 0.25000000000000 32.065 2 S 0.35052724413181 0.64947275586819 0.75000000000000 32.065 3 S 0.12099070439891 0.15404811324165 0.00082023755590 32.065 4 S 0.84595188675835 0.87900929560108 0.49917976244410 32.065 5 S 0.15404811324165 0.12099070439891 0.50082023755590 32.065 6 S 0.87900929560108 0.84595188675835 0.99917976244410 32.065 7 K 0.82284703245581 0.49341789094563 0.71922364925855 39.098 8 K 0.49341789094563 0.82284703245581 0.21922364925856 39.098 9 K 0.50658210905437 0.17715296754419 0.78077635074145 39.098 10 K 0.17715296754419 0.50658210905437 0.28077635074145 39.098 11 Ti 0.08476339950389 0.91523660049611 0.75000000000000 47.867 12 Ti 0.91523660049611 0.08476339950389 0.25000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.702596855463808 0.000000000000000 0.000000000000000 b 0.000000000000000 16.599655619999997 0.000000000000000 c -0.859130620601968 0.000000000000000 12.882516916453330 Atomic positions (fractional): 1 S 0.50000000000000 0.42526362206590 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.92526362206590 0.12500000000000 32.065 > 1 3 S 0.50000000000000 0.42526362206590 0.62500000000000 32.065 > 1 4 S 0.50000000000000 0.92526362206590 0.62500000000000 32.065 > 1 5 S 0.50000000000000 0.07473637793410 0.37500000000000 32.065 > 5 6 S 0.50000000000000 0.57473637793410 0.37500000000000 32.065 > 5 7 S 0.50000000000000 0.07473637793410 0.87500000000000 32.065 > 5 8 S 0.50000000000000 0.57473637793410 0.87500000000000 32.065 > 5 9 S 0.13751940882028 0.00826435221068 0.00041011877795 32.065 > 9 10 S 0.13751940882028 0.50826435221068 0.00041011877795 32.065 > 9 11 S 0.13751940882028 0.00826435221068 0.50041011877795 32.065 > 9 12 S 0.13751940882028 0.50826435221068 0.50041011877795 32.065 > 9 13 S 0.86248059117972 0.00826435221068 0.24958988122205 32.065 > 13 14 S 0.86248059117972 0.50826435221068 0.24958988122205 32.065 > 13 15 S 0.86248059117972 0.00826435221068 0.74958988122205 32.065 > 13 16 S 0.86248059117972 0.50826435221068 0.74958988122205 32.065 > 13 17 S 0.13751940882028 0.49173564778932 0.25041011877795 32.065 > 17 18 S 0.13751940882028 0.99173564778932 0.25041011877795 32.065 > 17 19 S 0.13751940882028 0.49173564778932 0.75041011877795 32.065 > 17 20 S 0.13751940882028 0.99173564778932 0.75041011877795 32.065 > 17 21 S 0.86248059117972 0.49173564778932 0.49958988122205 32.065 > 21 22 S 0.86248059117972 0.99173564778932 0.49958988122205 32.065 > 21 23 S 0.86248059117972 0.49173564778932 0.99958988122205 32.065 > 21 24 S 0.86248059117972 0.99173564778932 0.99958988122205 32.065 > 21 25 S 0.00000000000000 0.17526362206590 0.12500000000000 32.065 > 1 26 S 0.00000000000000 0.67526362206590 0.12500000000000 32.065 > 1 27 S 0.00000000000000 0.17526362206590 0.62500000000000 32.065 > 1 28 S 0.00000000000000 0.67526362206590 0.62500000000000 32.065 > 1 29 S 0.00000000000000 0.32473637793410 0.37500000000000 32.065 > 5 30 S 0.00000000000000 0.82473637793410 0.37500000000000 32.065 > 5 31 S 0.00000000000000 0.32473637793410 0.87500000000000 32.065 > 5 32 S 0.00000000000000 0.82473637793410 0.87500000000000 32.065 > 5 33 S 0.63751940882028 0.25826435221068 0.00041011877795 32.065 > 9 34 S 0.63751940882028 0.75826435221068 0.00041011877795 32.065 > 9 35 S 0.63751940882028 0.25826435221068 0.50041011877795 32.065 > 9 36 S 0.63751940882028 0.75826435221068 0.50041011877795 32.065 > 9 37 S 0.36248059117972 0.25826435221068 0.24958988122205 32.065 > 13 38 S 0.36248059117972 0.75826435221068 0.24958988122205 32.065 > 13 39 S 0.36248059117972 0.25826435221068 0.74958988122205 32.065 > 13 40 S 0.36248059117972 0.75826435221068 0.74958988122205 32.065 > 13 41 S 0.63751940882028 0.24173564778932 0.25041011877795 32.065 > 17 42 S 0.63751940882028 0.74173564778932 0.25041011877795 32.065 > 17 43 S 0.63751940882028 0.24173564778932 0.75041011877795 32.065 > 17 44 S 0.63751940882028 0.74173564778932 0.75041011877795 32.065 > 17 45 S 0.36248059117972 0.24173564778932 0.49958988122205 32.065 > 21 46 S 0.36248059117972 0.74173564778932 0.49958988122205 32.065 > 21 47 S 0.36248059117972 0.24173564778932 0.99958988122205 32.065 > 21 48 S 0.36248059117972 0.74173564778932 0.99958988122205 32.065 > 21 49 K 0.65813246170072 0.41764271462245 0.35961182462928 39.098 > 49 50 K 0.65813246170072 0.91764271462245 0.35961182462928 39.098 > 49 51 K 0.65813246170072 0.41764271462245 0.85961182462928 39.098 > 49 52 K 0.65813246170072 0.91764271462245 0.85961182462928 39.098 > 49 53 K 0.65813246170072 0.08235728537755 0.10961182462928 39.098 > 53 54 K 0.65813246170072 0.58235728537755 0.10961182462928 39.098 > 53 55 K 0.65813246170072 0.08235728537755 0.60961182462928 39.098 > 53 56 K 0.65813246170072 0.58235728537755 0.60961182462928 39.098 > 53 57 K 0.34186753829928 0.41764271462245 0.39038817537072 39.098 > 57 58 K 0.34186753829928 0.91764271462245 0.39038817537072 39.098 > 57 59 K 0.34186753829928 0.41764271462245 0.89038817537072 39.098 > 57 60 K 0.34186753829928 0.91764271462245 0.89038817537072 39.098 > 57 61 K 0.34186753829928 0.08235728537755 0.14038817537072 39.098 > 61 62 K 0.34186753829928 0.58235728537755 0.14038817537072 39.098 > 61 63 K 0.34186753829928 0.08235728537755 0.64038817537072 39.098 > 61 64 K 0.34186753829928 0.58235728537755 0.64038817537072 39.098 > 61 65 K 0.15813246170072 0.16764271462245 0.35961182462928 39.098 > 49 66 K 0.15813246170072 0.66764271462245 0.35961182462928 39.098 > 49 67 K 0.15813246170072 0.16764271462245 0.85961182462928 39.098 > 49 68 K 0.15813246170072 0.66764271462245 0.85961182462928 39.098 > 49 69 K 0.15813246170072 0.33235728537755 0.10961182462928 39.098 > 53 70 K 0.15813246170072 0.83235728537755 0.10961182462928 39.098 > 53 71 K 0.15813246170072 0.33235728537755 0.60961182462928 39.098 > 53 72 K 0.15813246170072 0.83235728537755 0.60961182462928 39.098 > 53 73 K 0.84186753829928 0.16764271462245 0.39038817537072 39.098 > 57 74 K 0.84186753829928 0.66764271462245 0.39038817537072 39.098 > 57 75 K 0.84186753829928 0.16764271462245 0.89038817537072 39.098 > 57 76 K 0.84186753829928 0.66764271462245 0.89038817537072 39.098 > 57 77 K 0.84186753829928 0.33235728537755 0.14038817537072 39.098 > 61 78 K 0.84186753829928 0.83235728537755 0.14038817537072 39.098 > 61 79 K 0.84186753829928 0.33235728537755 0.64038817537072 39.098 > 61 80 K 0.84186753829928 0.83235728537755 0.64038817537072 39.098 > 61 81 Ti 0.50000000000000 0.20761830024806 0.37500000000000 47.867 > 81 82 Ti 0.50000000000000 0.70761830024806 0.37500000000000 47.867 > 81 83 Ti 0.50000000000000 0.20761830024806 0.87500000000000 47.867 > 81 84 Ti 0.50000000000000 0.70761830024806 0.87500000000000 47.867 > 81 85 Ti 0.50000000000000 0.29238169975194 0.12500000000000 47.867 > 85 86 Ti 0.50000000000000 0.79238169975194 0.12500000000000 47.867 > 85 87 Ti 0.50000000000000 0.29238169975194 0.62500000000000 47.867 > 85 88 Ti 0.50000000000000 0.79238169975194 0.62500000000000 47.867 > 85 89 Ti 0.00000000000000 0.45761830024806 0.37500000000000 47.867 > 81 90 Ti 0.00000000000000 0.95761830024806 0.37500000000000 47.867 > 81 91 Ti 0.00000000000000 0.45761830024806 0.87500000000000 47.867 > 81 92 Ti 0.00000000000000 0.95761830024806 0.87500000000000 47.867 > 81 93 Ti 0.00000000000000 0.04238169975194 0.12500000000000 47.867 > 85 94 Ti 0.00000000000000 0.54238169975194 0.12500000000000 47.867 > 85 95 Ti 0.00000000000000 0.04238169975194 0.62500000000000 47.867 > 85 96 Ti 0.00000000000000 0.54238169975194 0.62500000000000 47.867 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9543793 0.0000000 -0.3716525 0.0000000 4.5684931 0.0000000 -0.3716371 0.0000000 10.5373670 -------------------------- Born effective charges -------------------------- 1 S -0.9614737 0.0000000 -0.0166999 0.0000000 -3.4569611 0.0000000 0.1415856 0.0000000 -1.1131488 2 S -0.9614737 0.0000000 -0.0166999 0.0000000 -3.4569611 0.0000000 0.1415856 0.0000000 -1.1131488 3 S -1.6633800 -0.0184058 0.1768088 -0.0971796 -0.8783891 -0.4551547 -0.2573673 -1.7868454 -4.8124154 4 S -1.6633800 0.0184058 0.1768088 0.0971796 -0.8783891 0.4551547 -0.2573673 1.7868454 -4.8124154 5 S -1.6633800 0.0184058 0.1768088 0.0971796 -0.8783891 0.4551547 -0.2573673 1.7868454 -4.8124154 6 S -1.6633800 -0.0184058 0.1768088 -0.0971796 -0.8783891 -0.4551547 -0.2573673 -1.7868454 -4.8124154 7 K 1.3246991 0.3742314 0.0434447 0.1722445 1.3401746 0.0729388 0.0484376 0.0239940 1.1889708 8 K 1.3246991 -0.3742314 0.0434447 -0.1722445 1.3401746 -0.0729388 0.0484376 -0.0239940 1.1889708 9 K 1.3246991 -0.3742314 0.0434447 -0.1722445 1.3401746 -0.0729388 0.0484376 -0.0239940 1.1889708 10 K 1.3246991 0.3742314 0.0434447 0.1722445 1.3401746 0.0729388 0.0484376 0.0239940 1.1889708 11 Ti 1.6388356 0.0000000 -0.4238072 0.0000000 2.5333901 0.0000000 0.2762738 0.0000000 8.3600378 12 Ti 1.6388356 0.0000000 -0.4238072 0.0000000 2.5333901 0.0000000 0.2762738 0.0000000 8.3600378 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 8 ] 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: 0.61, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 10.777 ( 0.000 0.000 0.000) 0.000 11.072 ( 0.000 0.000 0.000) 0.000 11.776 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 14.134 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 9.236 -18.915 11.060) 23.778 0.509 ( 9.635 -22.027 1.468) 24.087 0.907 ( 18.955 -37.824 -1.576) 42.337 1.619 ( 0.536 -2.601 -4.524) 5.245 1.872 ( -5.457 11.288 3.760) 13.090 2.133 ( 1.601 -4.653 -0.859) 4.996 2.495 ( -5.005 4.286 8.859) 11.041 2.630 ( 4.767 4.986 -9.808) 11.991 2.901 ( 1.466 8.367 -1.347) 8.600 2.981 ( -3.791 1.415 -0.196) 4.052 3.120 ( 1.919 5.737 0.220) 6.054 3.234 ( 4.381 1.690 -7.284) 8.666 3.326 ( -4.401 -1.940 -2.574) 5.455 3.383 ( 3.428 0.476 5.879) 6.821 3.391 ( 0.199 -2.661 1.113) 2.891 3.644 ( -1.015 -1.419 0.049) 1.745 3.662 ( 8.687 1.456 -4.032) 9.687 3.782 ( -3.020 1.873 -1.166) 3.740 4.353 ( 9.015 8.093 1.305) 12.185 4.543 ( -3.567 -5.156 -0.893) 6.333 4.890 ( -6.303 7.181 8.925) 13.075 4.931 ( 1.090 0.895 -10.824) 10.915 5.095 ( -8.341 -3.817 1.610) 9.313 5.413 ( 4.340 -1.268 1.288) 4.701 6.042 ( -0.668 0.727 1.871) 2.116 6.260 ( 0.034 -0.890 -1.281) 1.560 6.457 ( 0.434 -0.123 -5.203) 5.223 7.130 ( -0.128 -0.086 1.159) 1.169 7.310 ( 0.454 -0.443 0.220) 0.671 9.520 ( -0.109 0.179 0.444) 0.491 10.132 ( 0.773 0.093 0.112) 0.787 10.779 ( 0.083 -0.073 -0.437) 0.451 11.063 ( -0.563 0.568 -0.035) 0.801 11.924 ( 14.764 8.916 12.800) 21.479 14.143 ( 1.446 0.137 0.482) 1.530 14.431 ( -34.291 -23.349 1.828) 41.525 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 9.871 -10.727 9.555) 17.430 0.977 ( 6.172 -19.897 3.909) 21.196 1.538 ( -5.110 7.986 -3.613) 10.146 1.660 ( 1.755 -9.382 -4.697) 10.638 1.787 ( 12.320 -21.898 5.522) 25.726 2.196 ( -2.970 -0.276 0.615) 3.045 2.421 ( -0.577 -2.969 5.668) 6.424 2.557 ( 1.109 4.979 -8.618) 10.015 2.750 ( -0.672 8.395 1.427) 8.541 2.897 ( -1.375 7.329 -1.876) 7.689 3.022 ( 1.474 5.880 -1.785) 6.320 3.219 ( -0.420 0.810 -1.076) 1.411 3.319 ( -1.828 -2.601 -3.591) 4.796 3.426 ( 1.068 -1.913 2.285) 3.166 3.455 ( 3.455 0.944 1.575) 3.913 3.651 ( -2.459 0.184 5.177) 5.734 3.662 ( -2.939 1.320 -3.870) 5.035 3.792 ( 4.043 -3.744 -0.854) 5.576 4.278 ( 2.174 12.357 4.426) 13.305 4.534 ( -4.846 -0.768 -3.243) 5.881 4.703 ( -1.516 4.409 -1.648) 4.946 4.964 ( 0.041 -2.497 -5.623) 6.153 5.053 ( -4.349 -0.727 2.784) 5.215 5.470 ( 2.088 -0.544 -0.158) 2.163 6.018 ( -0.855 0.944 2.334) 2.659 6.273 ( 0.012 -0.579 -1.473) 1.582 6.461 ( 0.219 -0.166 -1.992) 2.011 7.132 ( -0.111 -0.154 1.456) 1.468 7.326 ( 0.551 -0.512 0.264) 0.797 9.515 ( -0.140 0.223 0.554) 0.613 10.142 ( 0.955 0.116 0.129) 0.971 10.780 ( 0.075 -0.011 -0.582) 0.587 11.043 ( -0.699 0.703 -0.001) 0.992 11.968 ( 5.881 1.753 5.026) 7.932 14.161 ( 2.061 0.397 0.664) 2.202 14.413 ( -15.120 -9.612 0.129) 17.917 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 2.635 3.836 5.949) 7.553 1.272 ( 1.097 -6.173 1.298) 6.403 1.435 ( -0.221 -5.502 -0.566) 5.535 1.754 ( 1.627 -2.080 -4.571) 5.279 2.041 ( -2.982 3.513 2.254) 5.130 2.318 ( 3.877 -12.655 3.742) 13.754 2.512 ( 2.355 4.751 -0.908) 5.380 2.581 ( -5.561 -7.476 -4.608) 10.395 2.616 ( 4.036 4.122 0.882) 5.836 2.768 ( 1.203 -0.169 -0.394) 1.277 2.954 ( 1.884 4.671 -1.020) 5.139 3.240 ( -0.873 -4.356 0.476) 4.468 3.341 ( -0.837 1.071 -0.397) 1.416 3.404 ( -0.479 0.626 -2.022) 2.171 3.474 ( 1.704 3.039 3.279) 4.784 3.588 ( 0.188 1.020 -0.215) 1.059 3.651 ( -1.475 0.246 0.703) 1.653 3.894 ( 5.275 -0.519 -2.753) 5.973 4.017 ( -8.809 7.196 3.637) 11.942 4.527 ( 0.940 -0.410 -1.806) 2.077 4.653 ( -0.705 1.166 0.036) 1.363 4.999 ( 0.344 -1.747 -7.179) 7.397 5.024 ( -1.467 0.523 5.800) 6.006 5.488 ( 0.473 -0.042 -0.306) 0.565 5.999 ( -0.388 0.437 1.032) 1.186 6.278 ( -0.032 -0.125 -0.603) 0.617 6.464 ( 0.074 -0.072 -0.615) 0.623 7.134 ( -0.034 -0.083 0.651) 0.658 7.338 ( 0.241 -0.217 0.112) 0.343 9.511 ( -0.064 0.100 0.246) 0.273 10.149 ( 0.421 0.053 0.053) 0.428 10.780 ( 0.022 0.022 -0.274) 0.276 11.027 ( -0.309 0.311 0.016) 0.439 12.004 ( 1.719 0.119 1.456) 2.256 14.176 ( 1.035 0.278 0.324) 1.119 14.398 ( -4.877 -2.973 -0.121) 5.713 ======================= Grid point 8 (5/116) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 11.841 0.000 28.162) 30.550 0.506 ( 21.096 0.000 -2.927) 21.299 1.012 ( 38.765 0.000 3.524) 38.925 1.573 ( -2.837 -0.000 -6.413) 7.012 1.843 ( -14.814 -0.000 9.142) 17.408 2.123 ( 2.849 0.000 -1.051) 3.037 2.503 ( -0.186 -0.000 5.000) 5.003 2.681 ( -0.408 -0.000 -6.207) 6.221 2.960 ( 1.256 0.000 -0.285) 1.288 3.010 ( -15.251 -0.000 1.395) 15.315 3.134 ( 2.799 0.000 2.271) 3.605 3.223 ( -2.113 -0.000 -8.111) 8.382 3.286 ( 5.045 0.000 -4.390) 6.688 3.418 ( 4.031 0.000 1.311) 4.239 3.422 ( 0.326 0.000 4.983) 4.993 3.607 ( -2.546 -0.000 -0.292) 2.563 3.747 ( -4.189 -0.000 3.051) 5.182 4.009 ( 5.652 0.000 -26.381) 26.980 4.264 ( -5.681 -0.000 -1.283) 5.824 4.504 ( 0.071 0.000 -1.018) 1.021 4.852 ( -2.919 -0.000 12.879) 13.206 4.992 ( -2.416 -0.000 -2.384) 3.394 5.123 ( 2.491 0.000 2.215) 3.333 5.371 ( 0.922 0.000 0.176) 0.938 6.027 ( -2.019 -0.000 0.708) 2.139 6.246 ( -0.067 -0.000 -1.742) 1.743 6.457 ( 0.601 0.000 -7.754) 7.777 7.129 ( -0.161 -0.000 1.546) 1.554 7.316 ( 0.967 0.000 0.550) 1.113 9.519 ( -0.293 -0.000 0.739) 0.795 10.152 ( 1.783 0.000 0.455) 1.840 10.779 ( 0.234 0.000 -0.788) 0.822 11.056 ( -1.172 -0.000 0.036) 1.172 12.383 ( -5.219 -0.000 26.509) 27.018 13.531 ( -0.958 -0.000 -0.869) 1.294 14.202 ( 4.975 0.000 1.785) 5.285 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 9.383 -18.478 19.923) 28.747 0.892 ( 16.513 -11.996 -0.417) 20.415 1.521 ( 1.977 -6.854 -0.941) 7.196 1.558 ( 1.474 0.745 2.768) 3.224 1.693 ( 7.165 -8.814 3.577) 11.909 2.158 ( -0.562 -0.339 0.269) 0.709 2.407 ( -4.670 7.157 -0.063) 8.546 2.618 ( -0.843 2.434 -3.334) 4.213 2.873 ( -4.966 1.489 -0.040) 5.184 2.970 ( 2.256 2.353 -1.746) 3.697 3.073 ( -5.358 1.192 1.260) 5.632 3.273 ( 1.383 3.963 -4.353) 6.047 3.304 ( 2.205 -0.874 -3.991) 4.643 3.405 ( 0.452 0.007 4.888) 4.909 3.490 ( 4.819 -1.372 0.828) 5.079 3.598 ( -2.356 -2.517 -0.741) 3.526 3.665 ( -1.964 2.807 2.377) 4.170 3.892 ( 5.925 8.059 -5.901) 11.613 4.332 ( -10.104 -4.989 -5.880) 12.711 4.489 ( 2.084 1.292 -1.122) 2.696 4.765 ( -5.088 5.200 7.912) 10.749 4.955 ( 2.103 1.141 -11.704) 11.946 5.060 ( 1.497 4.677 6.344) 8.023 5.435 ( -0.871 -3.362 0.130) 3.476 6.003 ( -2.514 -0.301 1.506) 2.946 6.257 ( -0.077 -1.164 -2.718) 2.958 6.459 ( 0.222 -0.121 -2.447) 2.460 7.130 ( -0.097 -0.116 1.932) 1.938 7.332 ( 1.116 -0.141 0.699) 1.325 9.515 ( -0.388 0.073 0.855) 0.941 10.169 ( 2.023 0.758 0.415) 2.200 10.783 ( 0.407 -0.036 -0.688) 0.800 11.038 ( -1.313 0.232 -0.060) 1.334 12.172 ( 3.034 11.737 10.068) 15.758 13.808 ( -13.543 -23.291 -0.832) 26.955 14.283 ( 5.999 -1.397 2.215) 6.546 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 2.628 -5.941 16.417) 17.655 1.156 ( -2.520 -4.312 5.886) 7.719 1.371 ( 2.907 -4.574 -0.299) 5.428 1.705 ( 2.971 -6.605 -8.592) 11.238 1.999 ( -5.835 -1.997 8.109) 10.188 2.174 ( 1.778 -6.599 -4.414) 8.136 2.363 ( 1.728 -7.391 -2.412) 7.964 2.586 ( 1.071 2.315 -4.026) 4.766 2.798 ( 3.119 5.771 -4.005) 7.686 2.836 ( -1.707 8.077 2.214) 8.547 3.068 ( 1.047 -0.704 2.620) 2.908 3.209 ( 1.121 2.854 0.551) 3.115 3.316 ( 1.609 -1.125 -5.040) 5.409 3.449 ( 0.706 0.864 3.449) 3.625 3.518 ( 2.021 0.531 3.675) 4.228 3.615 ( -1.323 -1.697 -2.318) 3.163 3.655 ( 1.711 1.258 0.843) 2.285 3.883 ( 1.934 -0.937 -0.383) 2.183 4.117 ( -7.243 12.547 -2.574) 14.714 4.514 ( 0.357 -0.928 -1.753) 2.015 4.651 ( -3.841 1.590 2.953) 5.099 4.977 ( 2.140 -1.136 -11.063) 11.325 5.032 ( 0.079 0.799 7.688) 7.730 5.456 ( -2.157 -1.532 0.053) 2.646 5.982 ( -2.105 -0.547 0.814) 2.322 6.272 ( 0.086 -0.719 -2.583) 2.683 6.462 ( 0.018 -0.145 -0.230) 0.272 7.133 ( -0.012 -0.139 1.433) 1.440 7.345 ( 0.835 0.138 0.589) 1.031 9.510 ( -0.337 0.021 0.579) 0.670 10.173 ( 1.428 1.282 0.205) 1.930 10.787 ( 0.540 0.240 -0.174) 0.616 11.021 ( -0.930 -0.014 -0.134) 0.940 12.079 ( 2.261 4.916 3.817) 6.622 13.954 ( -11.634 -13.378 -1.650) 17.805 14.391 ( 6.252 -1.953 1.884) 6.816 ======================= Grid point 11 (8/116) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -12.010 0.715 2.660) 12.322 1.295 ( 0.707 -3.376 4.266) 5.486 1.561 ( 8.851 0.783 3.160) 9.431 1.753 ( -1.152 1.401 0.459) 1.870 1.987 ( -1.799 -3.622 -0.779) 4.119 2.270 ( -4.700 -11.795 -1.047) 12.740 2.406 ( -8.112 0.844 -7.488) 11.072 2.587 ( 2.587 -0.520 -2.807) 3.853 2.686 ( 1.918 3.846 2.316) 4.882 2.800 ( -0.142 4.260 -1.127) 4.409 3.082 ( 7.269 10.165 3.050) 12.864 3.233 ( 0.213 -4.391 1.015) 4.512 3.381 ( 0.764 -4.006 -1.727) 4.428 3.402 ( 3.485 5.438 1.073) 6.548 3.522 ( 1.176 5.658 3.573) 6.795 3.586 ( -0.377 1.304 -1.638) 2.128 3.648 ( 0.983 -1.674 -0.453) 1.993 3.822 ( -5.338 1.035 2.114) 5.834 4.019 ( 4.163 -1.615 -3.907) 5.933 4.500 ( -2.848 -0.455 0.713) 2.971 4.626 ( -1.329 -1.568 0.891) 2.240 5.009 ( 0.484 -0.389 -3.069) 3.132 5.049 ( 3.048 -1.079 2.471) 4.069 5.444 ( -3.554 -1.173 0.365) 3.760 5.977 ( -1.124 -1.232 -0.706) 1.811 6.280 ( 0.274 -0.213 -1.493) 1.532 6.463 ( -0.093 -0.045 0.786) 0.793 7.135 ( 0.020 -0.016 0.333) 0.334 7.346 ( 0.338 0.581 0.317) 0.743 9.508 ( -0.178 -0.145 0.120) 0.259 10.162 ( 0.507 1.357 0.037) 1.449 10.788 ( 0.503 0.425 0.334) 0.739 11.018 ( -0.315 -0.576 -0.156) 0.675 12.029 ( 0.289 3.561 0.746) 3.650 14.019 ( -7.501 -8.440 -1.450) 11.384 14.502 ( 6.863 -1.510 1.198) 7.128 ======================= Grid point 12 (9/116) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -8.422 -2.803 -2.632) 9.258 1.254 ( -0.161 10.057 -0.177) 10.060 1.493 ( 2.185 5.474 1.595) 6.106 1.712 ( -1.583 1.107 2.960) 3.535 2.098 ( 0.694 4.670 -2.561) 5.372 2.171 ( -3.542 4.969 -3.637) 7.104 2.443 ( -2.422 -5.843 3.079) 7.034 2.538 ( -1.452 11.395 0.023) 11.487 2.682 ( 0.554 -0.590 0.373) 0.891 2.751 ( 0.248 -8.307 -2.358) 8.639 2.982 ( 2.275 1.693 2.183) 3.579 3.249 ( -0.056 1.467 -0.457) 1.537 3.379 ( 1.253 1.738 0.118) 2.145 3.403 ( -0.802 0.366 2.511) 2.661 3.462 ( 0.255 3.449 -1.230) 3.670 3.670 ( 6.058 -2.931 -2.676) 7.242 3.688 ( 2.334 -1.237 1.820) 3.208 3.799 ( -2.816 -0.847 2.119) 3.624 4.069 ( -4.490 -4.059 -3.876) 7.188 4.542 ( 2.888 -5.352 0.260) 6.087 4.640 ( -2.020 -1.939 1.642) 3.246 4.999 ( -0.147 1.359 0.419) 1.429 5.144 ( 7.766 -1.470 1.165) 7.990 5.406 ( -5.960 -0.879 0.035) 6.024 5.994 ( -0.269 -1.742 -1.269) 2.172 6.283 ( 0.221 0.232 -0.349) 0.474 6.462 ( -0.117 0.105 0.982) 0.994 7.134 ( 0.033 0.104 -0.387) 0.402 7.335 ( -0.028 0.877 0.079) 0.881 9.511 ( -0.033 -0.292 -0.150) 0.330 10.143 ( -0.089 0.970 -0.017) 0.974 10.786 ( 0.257 0.402 0.399) 0.622 11.032 ( 0.094 -1.037 -0.085) 1.045 11.955 ( -1.469 4.195 -0.933) 4.541 14.067 ( -3.376 -5.033 -0.764) 6.108 14.612 ( 6.753 -1.348 0.489) 6.903 ======================= Grid point 13 (10/116) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.000 13.561 0.000) 13.561 0.926 ( -0.000 24.180 0.000) 24.180 1.540 ( -0.000 40.541 0.000) 40.541 1.633 ( 0.000 -12.418 -0.000) 12.418 1.680 ( 0.000 -0.315 -0.000) 0.315 2.233 ( -0.000 5.230 0.000) 5.230 2.421 ( 0.000 -5.576 -0.000) 5.576 2.496 ( 0.000 -3.800 -0.000) 3.800 2.778 ( 0.000 -6.559 -0.000) 6.559 2.914 ( 0.000 -8.287 -0.000) 8.287 3.053 ( 0.000 -5.815 -0.000) 5.815 3.213 ( -0.000 2.825 0.000) 2.825 3.342 ( -0.000 1.832 0.000) 1.832 3.403 ( -0.000 3.121 0.000) 3.121 3.405 ( 0.000 -0.770 -0.000) 0.770 3.674 ( -0.000 1.364 0.000) 1.364 3.724 ( -0.000 6.251 0.000) 6.251 3.794 ( 0.000 -1.248 -0.000) 1.248 4.123 ( 0.000 -8.797 -0.000) 8.797 4.611 ( -0.000 1.611 0.000) 1.611 4.738 ( 0.000 -10.816 -0.000) 10.816 4.966 ( -0.000 2.239 0.000) 2.239 5.244 ( -0.000 0.453 0.000) 0.453 5.344 ( 0.000 -0.154 -0.000) 0.154 6.022 ( 0.000 -1.581 -0.000) 1.581 6.275 ( -0.000 0.746 0.000) 0.746 6.459 ( -0.000 0.185 0.000) 0.185 7.132 ( -0.000 0.122 0.000) 0.122 7.319 ( -0.000 0.832 0.000) 0.832 9.516 ( 0.000 -0.310 -0.000) 0.310 10.130 ( -0.000 0.370 0.000) 0.370 10.782 ( -0.000 0.258 0.000) 0.258 11.051 ( 0.000 -1.039 -0.000) 1.039 11.862 ( -0.000 4.422 0.000) 4.422 14.108 ( 0.000 -2.199 -0.000) 2.199 14.695 ( 0.000 -1.816 -0.000) 1.816 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 14.255 0.000 20.334) 24.833 1.005 ( 18.334 0.000 1.056) 18.364 1.412 ( -18.238 -0.000 9.939) 20.771 1.460 ( -2.313 -0.000 -2.079) 3.110 1.876 ( 26.772 0.000 -1.068) 26.794 2.163 ( 0.126 0.000 1.812) 1.816 2.526 ( -4.800 -0.000 -1.253) 4.960 2.562 ( -18.549 -0.000 -2.644) 18.736 2.635 ( 2.363 0.000 0.837) 2.507 3.029 ( 4.029 0.000 -0.509) 4.061 3.179 ( -0.774 -0.000 -5.852) 5.902 3.211 ( 2.383 0.000 4.977) 5.518 3.334 ( 0.703 0.000 -5.741) 5.784 3.418 ( -0.898 -0.000 4.792) 4.876 3.526 ( -3.467 -0.000 -2.679) 4.382 3.559 ( 5.204 0.000 -0.313) 5.213 3.679 ( -1.133 -0.000 4.811) 4.942 4.091 ( 3.695 0.000 -12.525) 13.059 4.118 ( -4.947 -0.000 -1.373) 5.134 4.503 ( -0.001 -0.000 -0.658) 0.658 4.714 ( -9.478 -0.000 5.528) 10.973 4.970 ( 1.032 0.000 -6.980) 7.056 5.180 ( 1.538 0.000 3.879) 4.173 5.391 ( 0.547 0.000 0.109) 0.558 5.965 ( -2.799 -0.000 0.558) 2.854 6.239 ( -0.273 -0.000 -2.326) 2.342 6.458 ( 0.096 0.000 -1.238) 1.241 7.130 ( 0.032 0.000 1.721) 1.721 7.346 ( 1.261 0.000 0.771) 1.478 9.510 ( -0.491 -0.000 0.902) 1.027 10.206 ( 2.296 0.000 0.532) 2.357 10.788 ( 0.517 0.000 -0.662) 0.840 11.022 ( -1.451 -0.000 -0.115) 1.455 12.282 ( -4.894 -0.000 8.696) 9.979 13.500 ( -1.316 -0.000 -1.188) 1.773 14.348 ( 5.951 0.000 2.027) 6.287 ======================= Grid point 17 (12/116) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 7.675 -11.711 13.877) 19.713 1.077 ( -12.856 3.725 10.597) 17.072 1.381 ( 13.914 -5.652 1.148) 15.062 1.550 ( 1.051 -11.113 -3.157) 11.600 1.991 ( -6.021 10.415 0.943) 12.067 2.119 ( -0.726 -0.823 -3.581) 3.746 2.360 ( 3.115 1.177 -2.701) 4.288 2.567 ( -5.532 -4.626 -2.348) 7.584 2.756 ( 2.256 -9.138 1.791) 9.581 3.000 ( 0.859 9.499 0.664) 9.561 3.083 ( 3.756 3.036 0.382) 4.845 3.278 ( -0.824 3.453 -3.029) 4.666 3.335 ( 1.556 -2.586 -3.731) 4.799 3.413 ( -0.819 -1.756 6.516) 6.798 3.536 ( -1.412 -4.114 -1.616) 4.640 3.595 ( 2.581 1.676 -0.461) 3.111 3.678 ( 1.975 0.122 2.624) 3.287 3.973 ( 1.673 6.668 -1.966) 7.150 4.162 ( -2.211 0.601 -6.064) 6.483 4.509 ( -0.078 -0.407 -0.540) 0.681 4.592 ( -9.111 -0.137 3.681) 9.827 4.984 ( 1.452 -0.438 -6.776) 6.943 5.113 ( 1.460 7.040 4.272) 8.364 5.411 ( -0.830 -1.187 0.144) 1.455 5.941 ( -2.314 -0.762 0.415) 2.472 6.249 ( -0.227 -1.422 -2.166) 2.601 6.459 ( -0.010 -0.115 -0.076) 0.138 7.132 ( 0.088 -0.072 1.317) 1.322 7.360 ( 0.945 0.164 0.633) 1.150 9.505 ( -0.411 -0.017 0.644) 0.764 10.219 ( 1.708 1.397 0.331) 2.231 10.795 ( 0.530 -0.112 -0.236) 0.591 11.007 ( -1.068 -0.131 -0.189) 1.092 12.185 ( -1.388 4.735 4.110) 6.421 13.603 ( -4.554 -12.145 -1.178) 13.024 14.430 ( 4.860 -1.580 1.537) 5.337 ======================= Grid point 18 (13/116) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -11.616 7.900 3.928) 14.587 1.200 ( 2.770 -8.871 6.906) 11.579 1.648 ( 10.596 -6.618 3.177) 12.891 1.799 ( -0.814 2.281 0.843) 2.565 1.841 ( 4.663 -11.743 -0.288) 12.638 2.091 ( -4.783 -1.139 -4.957) 6.982 2.228 ( -14.066 -0.038 -4.091) 14.649 2.602 ( 1.893 0.414 -2.756) 3.369 2.829 ( 1.981 7.327 2.339) 7.942 2.946 ( 3.035 8.344 -1.689) 9.038 3.097 ( 1.148 -10.765 2.781) 11.178 3.270 ( 2.518 -0.852 1.555) 3.080 3.341 ( 1.232 2.311 -3.697) 4.531 3.466 ( -0.685 -4.569 3.607) 5.861 3.583 ( 3.357 4.075 1.580) 5.511 3.605 ( 0.468 -3.845 -1.497) 4.153 3.669 ( -0.875 3.751 -0.599) 3.898 3.856 ( -1.747 8.310 0.557) 8.510 4.089 ( 2.404 4.142 -3.490) 5.926 4.461 ( -4.280 0.733 1.252) 4.519 4.570 ( -1.329 -2.649 0.884) 3.093 5.004 ( 0.913 -0.642 -5.105) 5.226 5.053 ( 0.531 0.529 3.719) 3.794 5.405 ( -1.413 0.282 0.148) 1.449 5.938 ( -1.123 -1.382 -0.112) 1.784 6.269 ( -0.001 -1.147 -1.246) 1.693 6.461 ( -0.041 -0.127 0.333) 0.359 7.135 ( 0.042 -0.044 0.550) 0.554 7.362 ( 0.404 0.582 0.312) 0.774 9.503 ( -0.197 -0.121 0.233) 0.328 10.202 ( 0.694 2.165 0.090) 2.276 10.800 ( 0.374 0.210 0.120) 0.446 11.003 ( -0.441 -0.549 -0.145) 0.719 12.107 ( 0.166 4.233 1.267) 4.422 13.759 ( -3.960 -12.041 -0.867) 12.705 14.520 ( 3.085 -2.944 0.766) 4.333 ======================= Grid point 19 (14/116) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 -2.357 -0.000) 2.357 1.310 ( 0.000 -1.799 -0.000) 1.799 1.706 ( -0.000 7.516 0.000) 7.516 1.780 ( -0.000 12.112 0.000) 12.112 1.925 ( 0.000 -12.725 -0.000) 12.725 2.200 ( 0.000 -7.384 -0.000) 7.384 2.255 ( 0.000 -12.302 -0.000) 12.302 2.627 ( 0.000 -2.943 -0.000) 2.943 2.731 ( -0.000 5.046 0.000) 5.046 2.760 ( -0.000 11.639 0.000) 11.639 3.195 ( -0.000 15.240 0.000) 15.240 3.238 ( 0.000 -2.627 -0.000) 2.627 3.371 ( 0.000 -4.231 -0.000) 4.231 3.464 ( -0.000 8.208 0.000) 8.208 3.561 ( -0.000 6.271 0.000) 6.271 3.593 ( 0.000 -9.847 -0.000) 9.847 3.666 ( 0.000 -2.368 -0.000) 2.368 3.760 ( -0.000 0.638 0.000) 0.638 4.051 ( -0.000 2.824 0.000) 2.824 4.461 ( 0.000 -3.909 -0.000) 3.909 4.601 ( 0.000 -1.737 -0.000) 1.737 5.012 ( -0.000 0.206 0.000) 0.206 5.118 ( 0.000 -5.770 -0.000) 5.770 5.374 ( -0.000 1.549 0.000) 1.549 5.959 ( 0.000 -1.812 -0.000) 1.812 6.283 ( 0.000 -0.416 -0.000) 0.416 6.463 ( 0.000 -0.024 -0.000) 0.024 7.136 ( -0.000 0.035 0.000) 0.035 7.351 ( -0.000 0.901 0.000) 0.901 9.505 ( 0.000 -0.246 -0.000) 0.246 10.169 ( -0.000 1.920 0.000) 1.920 10.796 ( -0.000 0.506 0.000) 0.506 11.014 ( 0.000 -0.961 -0.000) 0.961 12.031 ( -0.000 4.832 0.000) 4.832 13.920 ( 0.000 -9.299 -0.000) 9.299 14.599 ( 0.000 -3.520 -0.000) 3.520 ======================= Grid point 24 (15/116) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 3.292 0.000 7.053) 7.783 0.953 ( -10.814 -0.000 7.078) 12.925 1.480 ( 4.617 0.000 2.212) 5.119 1.498 ( 12.625 0.000 -0.319) 12.629 2.051 ( -8.423 -0.000 -6.485) 10.630 2.118 ( -3.373 -0.000 2.737) 4.343 2.309 ( -8.745 -0.000 -0.960) 8.797 2.464 ( 8.328 0.000 -0.023) 8.328 2.733 ( 2.834 0.000 0.767) 2.936 3.122 ( 2.774 0.000 -0.738) 2.870 3.169 ( 0.373 0.000 -2.709) 2.734 3.253 ( 0.331 0.000 5.330) 5.340 3.329 ( -0.006 -0.000 -5.202) 5.202 3.401 ( -0.893 -0.000 0.863) 1.242 3.461 ( -1.073 -0.000 -0.249) 1.102 3.628 ( 0.833 0.000 -0.241) 0.867 3.709 ( 2.041 0.000 3.136) 3.742 4.047 ( -0.974 -0.000 -0.356) 1.037 4.165 ( 3.840 0.000 -5.697) 6.870 4.462 ( -9.626 -0.000 2.208) 9.876 4.503 ( 0.021 0.000 -0.168) 0.170 4.989 ( 0.781 0.000 -2.915) 3.017 5.208 ( 0.397 0.000 2.034) 2.072 5.398 ( 0.108 0.000 0.045) 0.117 5.910 ( -1.358 -0.000 0.116) 1.362 6.229 ( -0.198 -0.000 -1.092) 1.110 6.458 ( -0.017 -0.000 0.060) 0.062 7.134 ( 0.096 0.000 0.714) 0.720 7.372 ( 0.581 0.000 0.371) 0.689 9.501 ( -0.260 -0.000 0.394) 0.472 10.251 ( 1.061 0.000 0.229) 1.086 10.799 ( 0.322 0.000 -0.140) 0.351 10.994 ( -0.657 -0.000 -0.147) 0.673 12.199 ( -2.100 -0.000 2.155) 3.009 13.472 ( -0.629 -0.000 -0.567) 0.847 14.462 ( 2.579 0.000 0.845) 2.714 ======================= Grid point 25 (16/116) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.000 3.557 0.000) 3.557 1.067 ( 0.000 -10.166 -0.000) 10.166 1.573 ( 0.000 -6.070 -0.000) 6.070 1.704 ( 0.000 -12.833 -0.000) 12.833 1.845 ( -0.000 9.765 0.000) 9.765 2.065 ( -0.000 1.255 0.000) 1.255 2.219 ( -0.000 6.882 0.000) 6.882 2.606 ( 0.000 -4.271 -0.000) 4.271 2.821 ( 0.000 -9.566 -0.000) 9.566 3.021 ( -0.000 6.817 0.000) 6.817 3.150 ( -0.000 9.752 0.000) 9.752 3.244 ( 0.000 -2.883 -0.000) 2.883 3.369 ( 0.000 -4.562 -0.000) 4.562 3.393 ( -0.000 1.091 0.000) 1.091 3.519 ( 0.000 -5.522 -0.000) 5.522 3.634 ( 0.000 -0.096 -0.000) 0.096 3.711 ( -0.000 1.853 0.000) 1.853 3.991 ( -0.000 5.846 0.000) 5.846 4.165 ( -0.000 3.016 0.000) 3.016 4.414 ( 0.000 -1.744 -0.000) 1.744 4.522 ( 0.000 -2.057 -0.000) 2.057 4.998 ( 0.000 -0.516 -0.000) 0.516 5.135 ( -0.000 7.004 0.000) 7.004 5.401 ( 0.000 -0.116 -0.000) 0.116 5.910 ( 0.000 -0.888 -0.000) 0.888 6.243 ( 0.000 -1.539 -0.000) 1.539 6.459 ( 0.000 -0.112 -0.000) 0.112 7.135 ( 0.000 -0.027 -0.000) 0.027 7.373 ( -0.000 0.292 0.000) 0.292 9.500 ( 0.000 -0.053 -0.000) 0.053 10.242 ( -0.000 1.666 0.000) 1.666 10.803 ( 0.000 -0.165 -0.000) 0.165 10.992 ( 0.000 -0.283 -0.000) 0.283 12.165 ( -0.000 2.449 0.000) 2.449 13.549 ( 0.000 -8.748 -0.000) 8.748 14.495 ( 0.000 -1.867 -0.000) 1.867 ======================= Grid point 51 (17/116) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( 2.467 0.000 10.575) 10.859 0.496 ( -4.557 -0.000 25.046) 25.458 0.949 ( 7.556 0.000 43.964) 44.609 1.697 ( -2.629 -0.000 8.627) 9.019 1.945 ( 7.809 0.000 -7.719) 10.981 2.168 ( -2.382 -0.000 8.975) 9.286 2.447 ( 3.761 0.000 -4.249) 5.675 2.769 ( -3.820 -0.000 5.758) 6.910 2.981 ( -1.626 -0.000 2.168) 2.710 3.036 ( -1.474 -0.000 -0.300) 1.504 3.102 ( 1.448 0.000 -0.279) 1.475 3.193 ( -2.202 -0.000 1.764) 2.821 3.211 ( -1.115 -0.000 -8.270) 8.344 3.385 ( 0.450 0.000 0.974) 1.073 3.480 ( 2.955 0.000 6.967) 7.567 3.526 ( -6.929 -0.000 0.777) 6.972 3.698 ( 0.229 0.000 5.109) 5.114 3.827 ( 0.669 0.000 1.035) 1.232 4.292 ( -0.042 -0.000 -5.109) 5.110 4.430 ( 1.161 0.000 0.543) 1.282 4.486 ( -1.520 -0.000 -1.927) 2.454 4.719 ( -1.067 -0.000 -11.692) 11.741 5.243 ( 0.676 0.000 -10.322) 10.344 5.271 ( 0.304 0.000 13.027) 13.030 6.027 ( 0.434 0.000 -2.508) 2.546 6.222 ( -0.611 -0.000 -2.888) 2.952 7.264 ( -0.695 -0.000 12.876) 12.894 7.494 ( -0.806 -0.000 18.290) 18.307 9.456 ( 1.060 0.000 -6.516) 6.601 10.115 ( -0.948 -0.000 -1.167) 1.504 10.611 ( 0.402 0.000 -13.583) 13.589 10.744 ( -43.564 -0.000 -4.468) 43.793 11.167 ( -0.664 -0.000 6.722) 6.755 12.168 ( 42.234 0.000 -7.144) 42.834 13.560 ( -0.887 -0.000 1.587) 1.818 14.099 ( 1.550 0.000 -3.540) 3.864 ======================= Grid point 52 (18/116) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 23.585 -10.308 4.666) 26.159 0.678 ( 8.118 -18.397 10.311) 22.598 1.319 ( 4.305 -21.759 35.411) 41.785 1.664 ( -3.168 0.533 5.858) 6.681 1.901 ( 1.512 9.478 -0.209) 9.601 2.190 ( 0.176 -3.179 6.384) 7.134 2.437 ( 4.320 6.044 -6.867) 10.117 2.676 ( -6.976 2.461 8.254) 11.084 2.864 ( -0.563 6.901 -3.253) 7.650 3.014 ( -5.034 1.710 2.033) 5.692 3.124 ( 0.781 5.217 0.389) 5.289 3.143 ( 1.032 -2.861 -0.185) 3.047 3.276 ( -3.854 -6.145 -3.159) 7.911 3.387 ( 3.823 0.678 -0.393) 3.902 3.469 ( -1.125 0.212 4.656) 4.795 3.586 ( -0.923 -7.399 -1.401) 7.587 3.692 ( -1.094 -1.296 3.862) 4.218 3.821 ( 0.735 2.547 4.487) 5.212 4.286 ( 1.428 -1.057 -6.535) 6.772 4.356 ( -0.933 6.153 -3.436) 7.108 4.544 ( 1.901 -3.018 -4.706) 5.905 4.692 ( -1.046 1.537 -11.117) 11.271 5.205 ( 0.169 4.984 3.466) 6.073 5.261 ( 2.406 2.108 -1.037) 3.363 6.031 ( -0.474 -0.446 -1.509) 1.644 6.218 ( -0.575 -0.568 -3.420) 3.515 7.270 ( -0.765 -0.528 14.258) 14.289 7.506 ( -0.226 -0.346 18.580) 18.585 9.423 ( -18.476 20.727 26.728) 38.541 9.521 ( -30.785 28.519 46.237) 62.441 10.143 ( 0.417 1.725 2.169) 2.803 10.608 ( 0.698 -0.128 -13.608) 13.626 11.155 ( -1.340 0.531 6.363) 6.524 12.057 ( 13.478 21.257 -0.853) 25.184 13.976 ( -8.025 -25.367 -21.208) 34.025 14.139 ( 4.052 -2.100 -4.646) 6.513 ======================= Grid point 53 (19/116) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 14.682 -7.399 6.363) 17.630 1.189 ( 11.105 -20.931 4.491) 24.116 1.452 ( -2.847 14.641 -0.379) 14.920 1.599 ( -3.245 -0.768 1.583) 3.692 1.983 ( 3.571 -15.339 12.890) 20.352 2.236 ( -1.868 1.258 2.525) 3.383 2.408 ( 5.060 -1.686 -2.933) 6.087 2.588 ( -3.759 -1.936 7.755) 8.832 2.726 ( -5.427 5.961 -1.344) 8.173 2.944 ( -0.503 2.125 3.726) 4.318 2.993 ( 0.527 8.850 0.731) 8.896 3.208 ( -1.068 -3.250 0.692) 3.491 3.266 ( -4.591 -2.201 -2.824) 5.821 3.460 ( 4.441 0.906 0.010) 4.533 3.476 ( 1.397 -1.080 1.322) 2.206 3.632 ( -2.576 -1.336 0.532) 2.950 3.770 ( 3.193 -2.506 0.426) 4.081 3.783 ( -0.751 0.779 7.850) 7.925 4.211 ( -7.114 4.536 -7.226) 11.109 4.354 ( 6.384 -0.138 -5.749) 8.592 4.592 ( 1.538 -1.031 -6.040) 6.318 4.617 ( -0.885 3.273 -10.732) 11.255 5.141 ( 0.874 2.944 7.076) 7.714 5.252 ( 2.096 1.778 -8.392) 8.830 6.021 ( -1.033 0.441 0.334) 1.172 6.223 ( -0.209 -0.930 -4.351) 4.454 7.290 ( -0.530 -1.305 17.465) 17.521 7.525 ( -0.285 -0.299 18.897) 18.901 8.412 ( -28.379 26.380 100.290) 107.514 9.460 ( 0.294 0.527 -5.876) 5.906 10.140 ( 0.917 0.528 -0.187) 1.075 10.610 ( 1.076 -0.154 -13.405) 13.449 11.132 ( -1.343 0.668 6.069) 6.252 11.943 ( 5.545 6.915 -7.226) 11.436 14.103 ( -4.029 -5.432 -8.333) 10.732 14.245 ( -1.329 -6.049 -10.945) 12.576 ======================= Grid point 54 (20/116) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.475 16.283 -3.360) 16.633 1.284 ( 2.855 -0.013 -3.421) 4.456 1.581 ( 5.502 -8.687 4.872) 11.379 1.634 ( 0.263 -4.814 5.351) 7.203 2.056 ( 0.942 4.012 -4.153) 5.851 2.271 ( 0.510 -5.563 -4.853) 7.400 2.435 ( -1.057 6.177 -4.941) 7.980 2.586 ( -11.816 -7.654 8.253) 16.319 2.778 ( 0.911 -7.574 4.381) 8.797 2.851 ( -0.586 0.005 11.420) 11.436 2.958 ( 8.047 3.739 2.144) 9.128 3.232 ( -0.030 -2.528 -1.202) 2.799 3.296 ( -1.555 -4.435 -4.502) 6.508 3.420 ( 0.720 7.102 3.170) 7.810 3.500 ( 0.860 1.500 0.617) 1.835 3.628 ( 0.502 -0.132 4.241) 4.273 3.724 ( -1.794 3.484 5.120) 6.447 3.837 ( 3.197 0.576 0.080) 3.249 4.032 ( -7.832 2.332 -0.024) 8.172 4.424 ( 4.739 -0.337 -7.123) 8.562 4.569 ( -0.645 0.660 -7.339) 7.397 4.636 ( 1.630 -2.752 -10.962) 11.419 5.126 ( 0.047 0.588 6.653) 6.679 5.241 ( 1.349 0.788 -11.595) 11.700 5.997 ( -0.809 0.753 1.081) 1.545 6.236 ( 0.191 -1.021 -4.436) 4.556 7.326 ( -0.470 -1.269 19.232) 19.280 7.536 ( -0.929 0.048 19.125) 19.148 7.965 ( -12.824 7.051 93.926) 95.059 9.449 ( 0.267 0.549 -6.396) 6.425 10.141 ( 0.381 0.270 -0.866) 0.984 10.616 ( 1.267 -0.138 -13.131) 13.193 11.115 ( -0.783 0.201 6.028) 6.082 11.900 ( 1.894 3.194 -11.503) 12.087 14.121 ( -3.244 -2.850 -6.082) 7.459 14.289 ( 1.528 -0.402 -8.948) 9.087 ======================= Grid point 55 (21/116) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.587 6.491 -12.533) 14.126 1.285 ( 3.969 3.333 -5.677) 7.687 1.490 ( -5.398 13.724 6.352) 16.057 1.759 ( 2.046 -5.815 -0.107) 6.166 2.054 ( -0.224 5.675 2.047) 6.037 2.287 ( -2.933 -5.197 2.494) 6.468 2.428 ( 3.915 -1.315 -2.852) 5.019 2.656 ( -7.380 -8.127 0.813) 11.008 2.663 ( -3.311 4.392 1.009) 5.592 2.904 ( 0.451 9.117 11.159) 14.417 3.002 ( 1.633 -4.886 4.021) 6.535 3.221 ( 1.610 5.248 -0.832) 5.552 3.342 ( 3.268 -1.176 -5.655) 6.636 3.391 ( -0.452 -3.449 1.769) 3.903 3.479 ( -0.119 -0.115 4.228) 4.231 3.611 ( -2.224 2.115 2.157) 3.751 3.706 ( 1.781 -2.069 5.826) 6.434 3.911 ( 1.712 0.768 -2.063) 2.789 3.943 ( -2.476 -4.751 1.981) 5.712 4.465 ( 3.046 0.183 -9.283) 9.771 4.552 ( -0.801 -0.150 -4.334) 4.410 4.693 ( 0.019 -3.176 -10.450) 10.922 5.123 ( -1.399 -0.507 7.641) 7.784 5.239 ( 0.249 -0.455 -12.104) 12.115 5.986 ( 0.295 0.196 0.871) 0.940 6.252 ( 0.198 -0.751 -4.121) 4.194 7.326 ( -1.984 1.315 17.381) 17.544 7.532 ( -1.596 0.457 18.898) 18.970 8.008 ( 0.904 -11.699 99.869) 100.556 9.440 ( 0.500 0.334 -6.790) 6.816 10.138 ( -0.282 0.033 -1.072) 1.108 10.623 ( 1.133 -0.082 -13.019) 13.069 11.118 ( -0.058 -0.545 6.316) 6.340 11.847 ( -0.607 2.827 -13.839) 14.138 14.116 ( -2.929 -1.613 -5.525) 6.459 14.288 ( 6.015 5.199 -9.737) 12.570 ======================= Grid point 56 (22/116) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -2.583 11.268 -12.996) 17.394 1.074 ( -8.972 17.499 9.177) 21.700 1.425 ( 7.601 -5.785 -13.077) 16.194 1.776 ( -0.909 6.214 6.330) 8.917 1.870 ( -6.800 14.599 13.498) 21.014 2.253 ( -0.953 1.816 6.742) 7.047 2.385 ( -3.918 3.496 3.406) 6.259 2.633 ( 2.802 -2.884 -1.382) 4.252 2.736 ( -1.300 -9.482 -0.427) 9.580 2.923 ( 1.028 -6.267 0.639) 6.383 3.086 ( 2.324 -0.530 4.701) 5.271 3.212 ( 2.989 -0.873 -2.515) 4.003 3.350 ( 0.446 1.608 -2.862) 3.313 3.422 ( 0.728 -0.500 3.976) 4.073 3.469 ( -5.290 1.838 3.038) 6.371 3.582 ( 3.895 0.215 -1.473) 4.170 3.771 ( 0.520 0.277 6.386) 6.413 3.806 ( -2.908 1.599 1.937) 3.842 4.100 ( -0.379 -7.693 -6.062) 9.802 4.485 ( 1.885 0.060 -9.488) 9.673 4.541 ( -1.283 0.055 -1.878) 2.276 4.728 ( -0.862 -2.617 -9.082) 9.491 5.134 ( -1.836 -2.911 10.211) 10.776 5.240 ( -0.836 -1.118 -10.754) 10.844 5.999 ( 1.416 -0.278 0.144) 1.450 6.254 ( -0.234 0.110 -3.929) 3.938 7.288 ( -1.635 1.471 15.310) 15.467 7.515 ( -1.886 0.672 18.399) 18.508 8.583 ( 13.465 -37.176 114.974) 121.583 9.440 ( 0.937 0.026 -6.827) 6.892 10.132 ( -0.644 -0.136 -0.808) 1.042 10.624 ( 0.752 0.042 -13.125) 13.146 11.139 ( 0.308 -0.957 6.755) 6.829 11.766 ( -2.261 3.058 -14.603) 15.090 14.099 ( -1.098 0.170 -5.567) 5.677 14.226 ( 9.057 12.280 -14.152) 20.812 ======================= Grid point 57 (23/116) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -10.872 4.452 -0.129) 11.748 0.669 ( -10.094 14.341 14.511) 22.763 1.243 ( -2.922 30.959 24.815) 39.784 1.710 ( 1.383 -2.291 3.581) 4.471 1.769 ( 6.365 -3.943 -1.493) 7.635 2.230 ( -3.345 3.028 8.922) 9.999 2.368 ( 0.298 -5.299 -2.705) 5.957 2.740 ( 1.046 -4.465 1.900) 4.964 2.890 ( -0.434 -8.537 -1.246) 8.638 3.016 ( 2.526 -1.994 2.568) 4.117 3.109 ( 1.087 0.470 0.145) 1.193 3.238 ( 0.675 2.442 -7.965) 8.358 3.310 ( -8.446 2.430 2.988) 9.282 3.358 ( 0.294 -0.934 0.695) 1.201 3.445 ( 3.369 1.161 6.319) 7.255 3.648 ( 2.613 -0.311 -0.199) 2.639 3.662 ( -2.720 4.161 0.781) 5.032 3.831 ( -1.883 -1.171 5.011) 5.480 4.206 ( 1.058 -6.574 -4.715) 8.159 4.469 ( -3.906 0.741 -1.420) 4.222 4.513 ( 1.068 1.878 -3.848) 4.413 4.741 ( -1.254 -0.862 -10.422) 10.532 5.206 ( -0.768 -5.470 11.775) 13.007 5.241 ( -0.660 -1.009 -9.387) 9.464 6.020 ( 1.436 0.098 -1.222) 1.888 6.238 ( -0.584 0.606 -3.521) 3.620 7.267 ( -0.852 0.597 13.422) 13.462 7.497 ( -1.554 0.472 18.183) 18.255 9.445 ( 1.005 -0.639 -6.388) 6.498 9.890 ( 20.654 -72.950 86.833) 115.275 10.136 ( 0.580 -3.797 4.633) 6.018 10.619 ( 0.407 0.091 -13.325) 13.331 11.163 ( 0.003 -0.657 6.956) 6.987 11.692 ( 3.818 2.136 -8.200) 9.295 13.982 ( 10.035 27.711 -20.021) 35.629 14.100 ( -0.936 0.691 -5.000) 5.133 ======================= Grid point 59 (24/116) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 13.474 0.000 15.980) 20.903 0.826 ( 21.430 0.000 11.189) 24.176 1.272 ( 17.617 0.000 30.559) 35.273 1.627 ( -4.614 -0.000 9.455) 10.521 1.964 ( -7.062 -0.000 2.248) 7.411 2.186 ( 2.282 0.000 6.909) 7.276 2.542 ( 2.980 0.000 -6.170) 6.852 2.616 ( -5.435 -0.000 5.863) 7.995 2.939 ( -0.343 -0.000 -2.387) 2.411 2.954 ( -12.361 -0.000 -2.773) 12.668 3.070 ( -2.315 -0.000 -6.005) 6.436 3.152 ( 3.227 0.000 0.022) 3.228 3.272 ( 3.210 0.000 2.298) 3.947 3.435 ( 4.181 0.000 0.704) 4.240 3.441 ( -0.029 -0.000 -2.893) 2.893 3.485 ( -3.272 -0.000 -3.667) 4.915 3.690 ( 2.534 0.000 3.095) 4.000 3.860 ( -0.135 -0.000 7.668) 7.669 4.220 ( -4.752 -0.000 -2.616) 5.425 4.457 ( -0.085 -0.000 -4.144) 4.145 4.520 ( 3.886 0.000 -5.490) 6.726 4.697 ( 1.029 0.000 -12.582) 12.624 5.250 ( 1.141 0.000 -11.360) 11.417 5.337 ( 2.934 0.000 13.737) 14.047 6.008 ( -1.527 -0.000 -2.579) 2.997 6.203 ( -0.583 -0.000 -2.734) 2.796 7.268 ( -0.852 -0.000 16.141) 16.164 7.521 ( 0.389 0.000 19.053) 19.057 9.207 ( -64.991 -0.000 80.262) 103.276 9.466 ( 0.467 0.000 -6.045) 6.063 10.168 ( 0.586 0.000 1.544) 1.651 10.605 ( 1.012 0.000 -13.639) 13.677 11.144 ( -1.961 -0.000 5.940) 6.255 12.432 ( -5.896 -0.000 -15.095) 16.206 13.530 ( -1.594 -0.000 0.693) 1.738 14.191 ( 5.738 0.000 -2.766) 6.370 ======================= Grid point 60 (25/116) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 15.863 -11.410 8.063) 21.139 1.118 ( 11.543 -8.503 17.882) 22.919 1.550 ( -4.494 0.776 7.348) 8.649 1.613 ( 9.043 0.912 6.242) 11.026 1.840 ( -2.601 -5.028 9.021) 10.650 2.230 ( 0.678 -0.790 5.801) 5.894 2.434 ( -10.341 5.705 1.364) 11.889 2.524 ( 1.434 3.954 -3.619) 5.548 2.819 ( -5.058 4.737 -5.124) 8.619 2.944 ( 0.240 -4.514 -0.287) 4.529 3.078 ( -3.640 0.681 0.877) 3.805 3.176 ( 2.561 0.407 -3.826) 4.622 3.238 ( 2.323 3.858 -2.505) 5.153 3.468 ( -0.380 -1.167 -2.712) 2.977 3.480 ( 2.565 -3.617 0.698) 4.489 3.545 ( 0.762 -4.897 -0.118) 4.958 3.759 ( 4.596 -2.198 0.032) 5.095 3.829 ( -0.950 3.012 9.408) 9.924 4.153 ( -5.786 1.075 -4.265) 7.268 4.438 ( 2.750 1.344 -4.188) 5.187 4.565 ( -0.635 -1.709 -4.983) 5.306 4.678 ( 1.805 3.210 -13.258) 13.760 5.228 ( 1.509 3.235 -6.285) 7.228 5.329 ( 2.405 4.757 8.066) 9.668 5.996 ( -2.024 -0.972 -0.907) 2.422 6.201 ( -0.223 -0.755 -3.507) 3.594 7.280 ( -0.595 -0.816 20.060) 20.086 7.541 ( 0.342 0.151 19.470) 19.473 8.423 ( -42.037 14.678 95.155) 105.057 9.463 ( -0.003 0.161 -5.984) 5.986 10.171 ( 1.444 1.082 -0.234) 1.820 10.612 ( 1.414 -0.252 -13.450) 13.526 11.122 ( -2.013 0.086 5.618) 5.969 12.172 ( -0.893 13.055 -9.415) 16.120 13.717 ( -8.281 -18.102 -6.289) 20.876 14.268 ( 6.253 -0.620 -3.424) 7.155 ======================= Grid point 61 (26/116) ======================= q-point: ( 0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -7.715 13.371 5.503) 16.389 1.293 ( 0.952 -1.891 2.709) 3.438 1.457 ( 9.781 -12.625 1.939) 16.088 1.600 ( 4.307 -2.684 9.727) 10.972 2.117 ( 1.762 -9.102 0.066) 9.271 2.172 ( -3.120 2.241 3.256) 5.036 2.307 ( -10.660 -3.567 0.613) 11.258 2.475 ( -3.021 2.627 -7.156) 8.199 2.727 ( 5.545 0.556 -0.680) 5.614 2.939 ( -1.330 7.239 6.597) 9.884 3.081 ( 4.395 -5.310 -0.173) 6.895 3.214 ( 2.321 0.896 0.245) 2.500 3.226 ( 1.572 -1.571 -4.737) 5.232 3.493 ( 1.643 0.295 1.038) 1.966 3.551 ( 2.137 -0.373 -2.012) 2.959 3.617 ( -0.379 -2.877 5.012) 5.791 3.763 ( -1.654 3.396 9.147) 9.897 3.859 ( 3.757 -3.092 -0.905) 4.949 4.008 ( -6.284 6.996 -3.025) 9.878 4.462 ( 1.448 -0.450 -3.539) 3.850 4.553 ( -2.059 -0.131 -4.994) 5.403 4.635 ( 2.160 2.283 -14.740) 15.072 5.182 ( 1.575 3.847 3.189) 5.239 5.280 ( 0.874 3.046 -4.267) 5.315 5.984 ( -1.818 -0.529 0.948) 2.118 6.216 ( 0.324 -1.149 -4.184) 4.351 7.315 ( -0.092 -1.489 23.139) 23.187 7.551 ( -0.386 0.623 19.899) 19.912 7.936 ( -21.595 5.413 87.994) 90.767 9.452 ( -0.103 0.303 -6.281) 6.289 10.164 ( 1.051 1.372 -1.095) 2.046 10.623 ( 1.572 -0.080 -13.203) 13.297 11.106 ( -1.445 -0.223 5.649) 5.835 12.003 ( 0.935 6.745 -11.037) 12.969 13.867 ( -8.604 -12.553 -6.390) 16.506 14.352 ( 6.131 -0.496 -5.252) 8.089 ======================= Grid point 62 (27/116) ======================= q-point: (-0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -10.134 9.536 -1.343) 13.980 1.311 ( -1.098 -0.540 -5.850) 5.976 1.670 ( 3.150 0.820 1.214) 3.474 1.762 ( 6.315 5.501 8.077) 11.635 2.041 ( -2.482 -5.309 2.151) 6.243 2.171 ( -10.378 -0.077 -2.577) 10.693 2.331 ( -2.312 -12.030 0.486) 12.260 2.489 ( 5.123 -3.294 -5.772) 8.391 2.733 ( -2.495 6.685 -2.859) 7.687 2.878 ( -0.344 -3.226 10.617) 11.102 3.181 ( 5.738 9.375 5.379) 12.237 3.254 ( 0.461 -2.715 1.353) 3.068 3.313 ( 3.601 -6.407 -4.958) 8.866 3.454 ( 2.635 5.603 3.832) 7.282 3.529 ( 1.026 4.780 -0.160) 4.892 3.647 ( -1.052 2.649 5.398) 6.104 3.695 ( 0.450 -1.310 5.496) 5.668 3.847 ( -5.269 -0.130 1.603) 5.509 3.938 ( 3.570 -0.305 -1.970) 4.089 4.460 ( -3.513 -1.782 -3.640) 5.363 4.546 ( 2.266 0.863 -9.052) 9.371 4.633 ( -0.207 -1.668 -12.844) 12.954 5.141 ( 0.204 2.654 7.359) 7.825 5.242 ( 0.284 1.434 -11.244) 11.338 5.979 ( -0.664 -0.766 1.406) 1.733 6.236 ( 0.423 -0.919 -4.124) 4.246 7.338 ( -1.223 0.682 19.417) 19.468 7.544 ( -1.030 0.922 19.855) 19.903 7.852 ( -8.628 -8.878 90.618) 91.460 9.443 ( 0.175 0.133 -6.560) 6.563 10.149 ( 0.398 1.221 -1.264) 1.802 10.629 ( 1.293 0.180 -13.121) 13.185 11.106 ( -0.711 -0.809 5.941) 6.037 11.909 ( 0.613 4.824 -12.406) 13.325 13.952 ( -5.484 -8.337 -5.045) 11.182 14.420 ( 6.011 0.688 -8.473) 10.411 ======================= Grid point 63 (28/116) ======================= q-point: (-0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -2.068 1.587 -5.230) 5.843 1.328 ( 0.065 -2.841 -2.707) 3.924 1.420 ( 0.019 20.487 -3.171) 20.731 1.729 ( -4.685 -1.349 1.652) 5.148 2.058 ( 1.270 3.062 2.547) 4.181 2.240 ( -0.102 -4.875 8.474) 9.777 2.505 ( -1.632 -7.139 0.493) 7.340 2.505 ( -2.508 7.080 -2.016) 7.777 2.656 ( 4.364 -1.139 -1.931) 4.906 2.871 ( -3.306 2.139 12.172) 12.793 3.064 ( 0.778 -0.099 5.642) 5.697 3.258 ( 1.526 1.049 -0.080) 1.853 3.369 ( 0.908 -1.587 -3.392) 3.854 3.437 ( -1.755 5.560 3.308) 6.703 3.478 ( 0.016 2.626 3.122) 4.080 3.633 ( 4.618 -1.133 -0.756) 4.815 3.769 ( 1.468 -1.744 6.208) 6.613 3.831 ( -3.586 -0.993 1.432) 3.987 3.973 ( 1.851 -2.459 -2.981) 4.285 4.472 ( -2.864 -4.539 -6.151) 8.163 4.534 ( 2.538 3.015 -13.605) 14.164 4.654 ( -1.755 -2.962 -7.492) 8.245 5.112 ( -0.618 0.911 8.988) 9.056 5.219 ( 0.145 0.333 -12.389) 12.394 5.998 ( 0.504 -1.238 1.104) 1.734 6.247 ( 0.017 -0.277 -4.140) 4.150 7.308 ( -1.536 1.677 16.115) 16.274 7.527 ( -1.294 1.148 18.690) 18.770 8.161 ( -3.531 -25.918 102.482) 105.768 9.443 ( 0.654 -0.196 -6.512) 6.547 10.133 ( 0.008 0.751 -0.926) 1.192 10.626 ( 0.726 0.326 -13.261) 13.285 11.124 ( -0.337 -1.292 6.318) 6.458 11.825 ( 0.909 4.678 -11.756) 12.685 14.018 ( -1.709 -4.888 -4.123) 6.619 14.450 ( 5.270 3.279 -14.216) 15.511 ======================= Grid point 64 (29/116) ======================= q-point: (-0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 8.526 12.955 -1.305) 15.564 1.006 ( 2.909 25.151 3.880) 25.614 1.506 ( -0.585 -9.879 -3.490) 10.494 1.686 ( -4.888 0.260 5.806) 7.594 1.878 ( 3.212 19.979 19.759) 28.283 2.262 ( -0.420 0.325 2.538) 2.593 2.319 ( 0.711 2.533 -2.482) 3.617 2.628 ( -2.479 -7.416 5.647) 9.645 2.750 ( 1.917 -5.915 -2.941) 6.879 2.953 ( 1.379 -6.969 3.304) 7.835 3.091 ( -4.989 -3.035 3.858) 6.999 3.266 ( -4.273 6.249 4.066) 8.593 3.311 ( 4.480 -0.497 -2.785) 5.298 3.394 ( -1.724 4.106 -0.024) 4.453 3.434 ( 0.540 -2.954 2.294) 3.779 3.685 ( 1.831 1.850 0.336) 2.624 3.745 ( -0.785 3.931 3.642) 5.417 3.798 ( -2.445 -0.415 1.315) 2.807 4.113 ( 6.276 -7.400 -0.432) 9.712 4.432 ( -4.861 2.132 -13.526) 14.530 4.547 ( 2.443 -0.337 -7.153) 7.566 4.679 ( -2.149 -3.216 -6.975) 7.976 5.124 ( -0.667 -2.742 10.997) 11.353 5.221 ( 1.194 -0.853 -11.009) 11.106 6.026 ( 0.572 -0.851 0.277) 1.062 6.238 ( -0.454 0.527 -4.212) 4.269 7.282 ( -0.884 1.072 14.359) 14.426 7.509 ( -0.980 0.876 18.338) 18.385 8.811 ( -12.944 -49.622 107.993) 119.551 9.455 ( 0.921 -0.717 -5.436) 5.560 10.126 ( 0.203 0.086 -0.224) 0.314 10.616 ( 0.388 0.286 -13.502) 13.511 11.146 ( -0.624 -1.204 6.538) 6.677 11.788 ( 5.984 1.203 -6.995) 9.284 14.072 ( 1.326 -1.975 -3.701) 4.400 14.375 ( 1.197 10.193 -23.263) 25.426 ======================= Grid point 67 (30/116) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 19.028 0.000 8.476) 20.830 1.145 ( 3.400 0.000 23.946) 24.187 1.537 ( -0.817 -0.000 11.279) 11.308 1.616 ( -19.675 -0.000 9.942) 22.045 1.843 ( 20.389 0.000 -0.798) 20.404 2.239 ( 0.661 0.000 2.550) 2.634 2.510 ( -18.408 -0.000 0.512) 18.415 2.513 ( -6.135 -0.000 -0.266) 6.140 2.615 ( 4.389 0.000 -3.043) 5.340 2.968 ( 2.909 0.000 -5.498) 6.220 3.068 ( 0.616 0.000 -4.415) 4.458 3.237 ( 3.216 0.000 -1.113) 3.403 3.290 ( -0.918 -0.000 1.017) 1.370 3.402 ( -0.427 -0.000 -7.030) 7.043 3.462 ( -0.270 -0.000 -0.736) 0.784 3.559 ( 4.287 0.000 -0.191) 4.292 3.808 ( 6.715 0.000 -5.154) 8.465 3.854 ( -1.104 -0.000 11.066) 11.121 4.108 ( -3.232 -0.000 0.548) 3.278 4.464 ( 0.888 0.000 -3.461) 3.573 4.521 ( -3.338 -0.000 -5.432) 6.376 4.725 ( 2.647 0.000 -12.354) 12.635 5.257 ( 0.986 0.000 -12.450) 12.489 5.429 ( 2.093 0.000 14.923) 15.069 5.955 ( -2.280 -0.000 -1.094) 2.529 6.189 ( 0.021 0.000 -3.069) 3.069 7.285 ( -0.126 -0.000 24.660) 24.660 7.564 ( 0.340 0.000 19.949) 19.952 8.112 ( -36.665 -0.000 89.012) 96.268 9.458 ( -0.272 -0.000 -6.114) 6.120 10.200 ( 1.499 0.000 -1.159) 1.895 10.616 ( 1.592 0.000 -13.433) 13.527 11.100 ( -2.052 -0.000 5.147) 5.541 12.222 ( -7.297 -0.000 -13.472) 15.321 13.494 ( -1.226 -0.000 0.558) 1.347 14.332 ( 5.497 0.000 -3.572) 6.556 ======================= Grid point 68 (31/116) ======================= q-point: ( 0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -11.172 -0.600 9.096) 14.419 1.338 ( -4.820 0.080 14.777) 15.543 1.439 ( 11.936 -6.759 3.016) 14.044 1.619 ( 2.619 -3.198 11.783) 12.487 1.970 ( -3.360 1.909 -1.271) 4.068 2.188 ( -3.187 4.695 6.304) 8.481 2.241 ( -1.979 1.561 -6.202) 6.695 2.508 ( -0.574 0.795 -3.085) 3.237 2.763 ( 2.920 -7.596 -1.705) 8.315 2.985 ( 1.376 -1.166 -4.929) 5.249 3.040 ( 0.035 4.033 0.153) 4.036 3.236 ( 2.439 2.191 -0.928) 3.407 3.270 ( -0.154 -0.087 -3.647) 3.651 3.462 ( 1.364 -5.033 -4.309) 6.764 3.507 ( -0.293 -4.423 3.163) 5.446 3.599 ( 2.036 -0.250 -0.259) 2.068 3.811 ( -1.796 2.882 7.384) 8.127 3.902 ( 7.779 0.336 -0.544) 7.805 4.056 ( -1.639 3.359 -0.388) 3.757 4.436 ( -4.732 0.829 -4.342) 6.476 4.505 ( -0.862 -2.338 -2.643) 3.633 4.719 ( 2.981 3.401 -13.062) 13.823 5.248 ( 1.322 1.308 -11.292) 11.445 5.385 ( 0.379 7.032 13.929) 15.608 5.943 ( -1.963 -1.315 0.643) 2.449 6.200 ( 0.647 -0.986 -3.437) 3.634 7.319 ( 0.869 -0.790 29.209) 29.232 7.575 ( -0.492 0.727 20.665) 20.683 7.785 ( -22.860 1.592 78.920) 82.179 9.447 ( -0.366 0.080 -6.368) 6.379 10.203 ( 1.121 1.332 -1.966) 2.626 10.627 ( 1.499 -0.258 -13.350) 13.437 11.086 ( -1.446 -0.366 5.108) 5.321 12.087 ( -3.262 4.616 -13.385) 14.530 13.579 ( -2.857 -10.009 -0.988) 10.455 14.396 ( 4.061 -0.948 -4.812) 6.368 ======================= Grid point 69 (32/116) ======================= q-point: ( 0.57 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -13.524 10.054 6.438) 18.039 1.242 ( -6.712 -0.710 -2.736) 7.283 1.715 ( 3.700 -3.431 3.852) 6.348 1.825 ( 12.352 -12.602 2.142) 17.776 1.928 ( -8.944 -5.682 5.227) 11.815 2.034 ( -5.373 8.416 -1.493) 10.096 2.202 ( -0.553 -1.858 5.786) 6.102 2.530 ( 6.007 0.245 -4.085) 7.268 2.808 ( 0.753 4.939 -7.015) 8.612 2.943 ( 0.521 6.828 4.686) 8.298 3.134 ( 0.027 -12.847 0.468) 12.855 3.234 ( -0.240 -0.669 -5.764) 5.808 3.316 ( 3.325 -3.196 0.467) 4.635 3.529 ( -2.823 0.942 3.677) 4.730 3.575 ( 3.814 -3.094 -1.011) 5.014 3.631 ( 0.335 -1.731 1.327) 2.207 3.730 ( -2.092 4.340 6.934) 8.444 3.885 ( -1.621 9.405 2.760) 9.935 4.020 ( 7.630 1.508 -1.197) 7.869 4.352 ( -7.372 -1.225 -5.139) 9.070 4.545 ( 0.162 -2.405 -2.427) 3.421 4.671 ( 3.043 4.534 -15.209) 16.160 5.221 ( 1.483 3.868 -0.140) 4.145 5.276 ( -0.921 4.279 0.654) 4.426 5.949 ( -0.989 -1.512 1.703) 2.483 6.226 ( 0.918 -0.942 -3.617) 3.849 7.358 ( 0.098 0.699 23.948) 23.959 7.564 ( -1.505 0.733 24.078) 24.136 7.671 ( -10.927 -5.470 77.884) 78.837 9.439 ( -0.077 -0.072 -6.603) 6.604 10.182 ( 0.493 1.857 -2.032) 2.797 10.635 ( 1.097 0.039 -13.340) 13.385 11.087 ( -0.698 -0.783 5.428) 5.528 11.979 ( -0.764 4.033 -13.664) 14.267 13.730 ( -1.901 -10.828 -1.841) 11.146 14.452 ( 2.245 -1.514 -7.167) 7.662 ======================= Grid point 70 (33/116) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -1.606 0.174 2.502) 2.978 1.235 ( -3.110 -4.805 -8.471) 10.223 1.690 ( -5.833 3.883 -2.578) 7.467 1.765 ( -0.657 12.341 4.452) 13.137 2.000 ( -1.334 -4.579 1.150) 4.906 2.161 ( 8.102 -9.746 -2.736) 12.966 2.307 ( 1.357 -7.195 7.731) 10.648 2.643 ( 5.373 -4.926 0.351) 7.297 2.686 ( -0.335 6.824 -4.771) 8.333 2.856 ( -1.885 3.218 10.193) 10.854 3.219 ( -2.744 3.641 -1.054) 4.679 3.248 ( -0.898 0.117 0.819) 1.221 3.366 ( 1.042 5.006 2.119) 5.535 3.491 ( -0.366 -0.902 2.186) 2.393 3.562 ( -3.214 2.510 0.415) 4.099 3.613 ( 0.442 0.993 2.166) 2.423 3.708 ( -1.500 -2.921 1.991) 3.840 3.771 ( -0.078 0.582 3.776) 3.821 4.062 ( 5.510 3.356 1.368) 6.595 4.330 ( -3.459 -5.030 -8.403) 10.386 4.579 ( -1.006 -2.462 -3.772) 4.615 4.626 ( 3.325 3.914 -15.641) 16.462 5.155 ( -0.388 3.766 10.049) 10.738 5.230 ( 0.711 1.307 -12.945) 13.030 5.974 ( -0.003 -1.826 1.640) 2.454 6.243 ( 0.576 -0.237 -3.835) 3.885 7.337 ( -1.222 1.969 18.514) 18.659 7.548 ( -1.340 1.207 19.459) 19.543 7.824 ( -6.057 -14.875 91.060) 92.466 9.439 ( 0.374 -0.383 -6.570) 6.591 10.154 ( 0.082 1.522 -1.481) 2.125 10.630 ( 0.587 0.438 -13.406) 13.426 11.102 ( -0.326 -1.119 5.825) 5.940 11.898 ( 0.294 3.706 -13.000) 13.522 13.896 ( 1.535 -8.620 -2.264) 9.044 14.481 ( -0.339 -0.868 -10.826) 10.866 ======================= Grid point 71 (34/116) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 10.517 -5.985 1.021) 12.143 1.284 ( -2.038 -6.457 -5.276) 8.584 1.468 ( 3.349 19.255 2.632) 19.720 1.638 ( -1.657 1.227 -0.070) 2.063 2.065 ( -0.765 -3.826 -2.498) 4.632 2.277 ( 0.500 3.285 2.083) 3.921 2.435 ( -0.645 -5.235 -0.601) 5.309 2.586 ( 6.435 10.905 8.800) 15.420 2.742 ( 1.231 1.629 3.116) 3.725 2.839 ( -0.471 -7.362 8.555) 11.296 3.004 ( -6.286 5.192 4.252) 9.195 3.269 ( -2.119 -1.995 -0.647) 2.981 3.353 ( -0.936 1.655 -2.376) 3.044 3.394 ( -0.517 2.756 2.670) 3.872 3.497 ( 0.666 3.633 2.595) 4.514 3.669 ( -4.560 -3.371 -0.620) 5.704 3.725 ( 0.346 -2.303 0.970) 2.523 3.791 ( 0.226 -0.609 4.628) 4.674 4.115 ( 5.006 -3.096 1.775) 6.148 4.366 ( -2.252 -1.822 -13.322) 13.633 4.588 ( 2.412 1.842 -14.946) 15.251 4.603 ( -0.599 -1.155 -2.253) 2.601 5.116 ( -0.234 0.975 8.241) 8.302 5.221 ( 1.591 0.002 -12.175) 12.278 6.007 ( -0.044 -1.623 1.186) 2.010 6.241 ( 0.045 0.504 -4.322) 4.351 7.308 ( -0.654 1.625 16.933) 17.024 7.529 ( -1.039 0.930 18.669) 18.721 8.130 ( -12.006 -22.944 99.268) 102.590 9.449 ( 0.584 -0.627 -6.211) 6.270 10.135 ( 0.225 0.630 -0.770) 1.019 10.617 ( 0.511 0.450 -13.457) 13.474 11.122 ( -0.595 -1.128 6.108) 6.240 11.857 ( 2.782 1.255 -10.511) 10.945 14.047 ( 4.183 -4.633 -2.738) 6.816 14.430 ( -4.778 2.842 -15.292) 16.271 ======================= Grid point 75 (35/116) ======================= q-point: ( 0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -8.106 -0.000 10.974) 13.643 1.132 ( -17.909 -0.000 10.959) 20.996 1.544 ( 12.592 0.000 4.791) 13.473 1.612 ( -1.001 -0.000 8.998) 9.053 2.009 ( -0.661 -0.000 0.917) 1.131 2.246 ( -2.093 -0.000 8.866) 9.110 2.311 ( -7.647 -0.000 1.004) 7.713 2.357 ( 6.270 0.000 -5.753) 8.510 2.716 ( 2.836 0.000 -2.656) 3.886 3.021 ( 2.068 0.000 -10.196) 10.404 3.088 ( 1.939 0.000 -5.724) 6.044 3.218 ( -2.859 -0.000 -0.792) 2.967 3.347 ( 3.762 0.000 0.446) 3.788 3.417 ( 1.546 0.000 -2.744) 3.150 3.435 ( -1.534 -0.000 0.616) 1.653 3.612 ( 0.680 0.000 -1.631) 1.767 3.811 ( -3.239 -0.000 4.394) 5.459 4.028 ( 10.808 0.000 -0.513) 10.820 4.077 ( -0.083 -0.000 3.249) 3.250 4.365 ( -7.689 -0.000 -2.315) 8.030 4.479 ( 0.585 0.000 -2.367) 2.438 4.776 ( 2.952 0.000 -11.504) 11.876 5.259 ( 0.966 0.000 -12.671) 12.708 5.469 ( -0.987 -0.000 16.706) 16.735 5.909 ( -1.136 -0.000 0.577) 1.274 6.198 ( 1.028 0.000 -3.013) 3.183 7.361 ( 2.745 0.000 33.878) 33.989 7.591 ( -0.978 -0.000 20.359) 20.382 7.601 ( -17.465 -0.000 72.228) 74.309 9.438 ( -0.373 -0.000 -6.644) 6.654 10.224 ( 0.601 0.000 -2.835) 2.898 10.631 ( 1.294 0.000 -13.363) 13.425 11.072 ( -0.784 -0.000 4.931) 4.993 12.063 ( -3.668 -0.000 -15.214) 15.650 13.481 ( 0.127 0.000 1.454) 1.460 14.417 ( 1.621 0.000 -5.278) 5.521 ======================= Grid point 76 (36/116) ======================= q-point: (-0.43 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -7.807 3.647 6.081) 10.546 1.085 ( -12.129 -5.073 2.989) 13.482 1.608 ( -4.805 -4.419 3.473) 7.395 1.728 ( -0.736 -9.666 3.063) 10.166 1.889 ( 1.614 8.777 2.594) 9.293 2.169 ( 4.939 6.954 -1.889) 8.736 2.243 ( 4.253 0.704 15.124) 15.726 2.567 ( 1.998 -6.133 -2.783) 7.025 2.811 ( -0.673 -9.958 -1.125) 10.044 2.960 ( -1.744 4.407 -7.721) 9.060 3.066 ( 1.429 5.602 -3.758) 6.896 3.231 ( -0.893 -5.083 -6.369) 8.198 3.286 ( 0.879 5.122 -1.135) 5.320 3.487 ( -1.675 -2.693 4.186) 5.252 3.507 ( 1.533 -6.305 -2.026) 6.798 3.625 ( 0.687 -0.776 -1.196) 1.582 3.756 ( -3.302 1.248 4.511) 5.728 4.030 ( -0.195 6.157 3.753) 7.213 4.156 ( 10.497 1.127 0.521) 10.570 4.260 ( -6.302 0.955 -3.286) 7.171 4.502 ( 0.026 -1.968 -2.220) 2.967 4.771 ( 2.691 3.390 -12.326) 13.064 5.259 ( 1.179 0.335 -12.647) 12.706 5.388 ( -2.084 7.534 16.431) 18.196 5.915 ( -0.277 -1.351 1.322) 1.910 6.220 ( 1.276 -0.949 -3.046) 3.436 7.396 ( -2.047 1.092 22.329) 22.449 7.540 ( -3.148 -2.341 79.835) 79.932 7.589 ( -2.161 0.078 24.197) 24.293 9.430 ( -0.064 -0.126 -6.907) 6.908 10.212 ( -0.079 1.344 -2.908) 3.204 10.636 ( 0.950 -0.104 -13.367) 13.401 11.075 ( -0.049 -0.444 5.215) 5.234 12.000 ( -1.691 1.814 -16.071) 16.261 13.560 ( 1.030 -7.783 1.178) 7.939 14.428 ( -0.837 -1.250 -6.546) 6.717 ======================= Grid point 77 (37/116) ======================= q-point: (-0.29 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 1.441 7.430 0.689) 7.600 1.050 ( -6.115 -9.145 -7.564) 13.351 1.607 ( -8.991 -3.927 0.797) 9.844 1.778 ( 0.407 -0.507 0.937) 1.141 1.927 ( -2.882 -7.133 4.013) 8.676 2.195 ( 10.203 0.356 -0.793) 10.240 2.329 ( 7.543 0.422 12.723) 14.797 2.633 ( 1.913 -1.297 1.134) 2.574 2.775 ( -0.914 6.460 -4.369) 7.852 2.959 ( -0.536 5.967 1.602) 6.201 3.064 ( -5.822 -13.941 0.139) 15.108 3.195 ( -1.674 2.010 -7.148) 7.612 3.349 ( -0.351 -6.536 -5.047) 8.265 3.458 ( -2.476 1.996 5.021) 5.943 3.577 ( -2.530 0.308 0.170) 2.554 3.655 ( 0.597 -1.670 1.273) 2.183 3.713 ( -0.162 2.369 5.314) 5.820 3.874 ( 0.521 9.707 3.205) 10.236 4.133 ( -4.014 3.234 1.152) 5.282 4.291 ( 7.907 -0.565 -5.989) 9.936 4.529 ( -0.509 -1.766 -3.371) 3.839 4.724 ( 2.747 4.000 -12.910) 13.792 5.239 ( -2.486 5.372 8.167) 10.087 5.255 ( 1.556 2.228 -7.511) 7.988 5.945 ( 0.351 -1.741 1.443) 2.288 6.245 ( 1.009 -0.410 -3.355) 3.528 7.359 ( -3.023 0.577 20.195) 20.428 7.563 ( -1.955 0.885 19.935) 20.050 7.688 ( 2.029 -4.683 88.881) 89.027 9.430 ( 0.342 -0.393 -6.923) 6.942 10.179 ( -0.474 1.668 -2.183) 2.788 10.633 ( 0.611 0.300 -13.365) 13.382 11.091 ( 0.270 -0.616 5.654) 5.694 11.933 ( -1.112 2.419 -15.817) 16.040 13.761 ( 4.360 -11.031 -0.438) 11.870 14.423 ( -3.418 -1.658 -8.512) 9.322 ======================= Grid point 78 (38/116) ======================= q-point: (-0.14 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 4.812 -6.076 -6.230) 9.944 1.196 ( 2.273 -7.460 -7.649) 10.924 1.589 ( -2.805 -2.703 4.528) 5.973 1.725 ( -1.146 4.718 2.575) 5.496 2.021 ( 1.838 -1.538 -1.411) 2.781 2.289 ( 3.443 -1.862 -6.150) 7.290 2.382 ( 1.062 1.500 3.764) 4.189 2.710 ( 0.869 -6.381 4.678) 7.960 2.748 ( 3.014 0.945 6.278) 7.028 2.837 ( -0.638 5.507 4.216) 6.965 3.077 ( -7.868 5.054 1.974) 9.558 3.207 ( -0.869 -6.634 -1.789) 6.926 3.391 ( -3.592 0.070 -6.135) 7.110 3.395 ( -1.990 5.906 3.410) 7.104 3.482 ( -0.649 0.081 3.829) 3.885 3.643 ( -0.320 2.841 2.535) 3.821 3.689 ( -0.228 -0.764 2.658) 2.775 3.807 ( 3.076 2.050 3.342) 4.983 4.062 ( -4.750 -1.734 1.464) 5.264 4.375 ( 5.706 -0.000 -8.723) 10.424 4.555 ( 0.261 -1.663 -5.166) 5.434 4.681 ( 2.379 3.771 -11.620) 12.446 5.147 ( -1.434 2.700 8.498) 9.032 5.238 ( 1.325 1.039 -12.411) 12.524 5.979 ( 0.154 -1.559 1.211) 1.980 6.250 ( 0.481 0.514 -3.967) 4.029 7.338 ( -1.303 0.726 18.243) 18.304 7.542 ( -1.683 0.606 18.913) 18.997 7.863 ( -2.656 -6.332 94.513) 94.762 9.439 ( 0.496 -0.594 -6.676) 6.721 10.148 ( -0.299 0.973 -1.313) 1.662 10.621 ( 0.663 0.499 -13.279) 13.305 11.108 ( -0.026 -0.529 5.991) 6.015 11.880 ( -0.089 0.776 -13.908) 13.930 14.006 ( 7.128 -8.032 -2.483) 11.022 14.374 ( -6.082 0.146 -10.782) 12.380 ======================= Grid point 83 (39/116) ======================= q-point: (-0.43 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -11.175 -0.000 3.999) 11.869 0.883 ( -0.904 -0.000 0.586) 1.077 1.525 ( -2.094 -0.000 5.654) 6.030 1.558 ( -11.175 -0.000 5.592) 12.495 2.073 ( 1.720 0.000 -0.962) 1.970 2.317 ( 4.146 0.000 16.537) 17.048 2.344 ( 9.550 0.000 2.301) 9.824 2.386 ( -1.580 -0.000 -2.350) 2.832 2.698 ( -3.822 -0.000 -2.274) 4.447 3.056 ( 2.342 0.000 -11.658) 11.891 3.127 ( -4.430 -0.000 -1.059) 4.555 3.132 ( 2.082 0.000 -7.693) 7.970 3.380 ( -2.118 -0.000 -1.814) 2.789 3.411 ( 0.909 0.000 1.154) 1.469 3.460 ( 1.388 0.000 -0.331) 1.427 3.626 ( 0.724 0.000 -0.697) 1.005 3.714 ( -3.824 -0.000 3.506) 5.188 4.090 ( 0.719 0.000 3.942) 4.007 4.198 ( -5.275 -0.000 -0.870) 5.346 4.299 ( 10.130 0.000 -0.349) 10.136 4.485 ( 0.384 0.000 -1.978) 2.015 4.819 ( 1.812 0.000 -11.167) 11.313 5.264 ( 1.005 0.000 -12.074) 12.116 5.442 ( -3.267 -0.000 16.155) 16.482 5.907 ( 0.819 0.000 0.607) 1.020 6.224 ( 1.300 0.000 -2.812) 3.098 7.352 ( -6.573 -0.000 26.862) 27.655 7.580 ( -2.532 -0.000 20.001) 20.160 7.657 ( 11.270 0.000 85.220) 85.962 9.424 ( 0.226 0.000 -7.225) 7.229 10.216 ( -0.834 -0.000 -3.166) 3.274 10.635 ( 0.848 0.000 -13.265) 13.292 11.080 ( 0.660 0.000 5.460) 5.500 11.986 ( -0.837 -0.000 -18.604) 18.623 13.503 ( 1.259 0.000 2.603) 2.892 14.386 ( -3.210 -0.000 -6.697) 7.427 ======================= Grid point 84 (40/116) ======================= q-point: (-0.29 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -12.504 -5.224 -1.480) 13.632 0.916 ( 9.252 0.473 -5.054) 10.553 1.418 ( -10.687 -2.660 5.103) 12.138 1.658 ( -1.135 -12.925 6.755) 14.627 1.947 ( 0.605 8.537 -2.136) 8.821 2.287 ( -0.219 0.095 8.960) 8.963 2.420 ( 2.636 1.373 7.785) 8.333 2.589 ( 3.696 -4.935 0.820) 6.220 2.727 ( -2.795 -10.905 0.056) 11.257 2.941 ( 1.671 10.160 -5.961) 11.898 3.049 ( -2.263 2.404 -1.749) 3.736 3.217 ( 0.400 -1.775 -11.816) 11.955 3.291 ( 0.850 2.540 -0.387) 2.706 3.439 ( -2.111 -0.591 2.514) 3.336 3.520 ( -0.067 -3.915 -1.582) 4.223 3.627 ( -1.356 -0.393 1.121) 1.803 3.710 ( -0.576 -2.148 5.234) 5.687 4.012 ( -2.082 7.555 2.715) 8.294 4.152 ( -0.886 1.399 -2.287) 2.823 4.401 ( 7.475 0.885 -1.608) 7.697 4.501 ( 0.431 -1.189 -1.588) 2.030 4.799 ( 1.079 2.881 -11.853) 12.246 5.259 ( 0.124 0.953 -10.463) 10.507 5.347 ( -3.065 6.111 13.264) 14.922 5.932 ( 1.354 -0.995 0.416) 1.731 6.244 ( 0.972 -0.755 -3.019) 3.261 7.315 ( -4.360 -1.110 22.709) 23.151 7.560 ( -2.819 0.322 19.461) 19.667 7.886 ( 17.369 4.214 96.925) 98.559 9.425 ( 0.574 -0.221 -7.303) 7.329 10.190 ( -1.233 1.027 -2.518) 2.986 10.633 ( 0.701 0.087 -13.209) 13.228 11.097 ( 0.970 -0.179 5.922) 6.004 11.940 ( -1.461 2.136 -19.748) 19.917 13.624 ( 3.934 -10.590 1.213) 11.362 14.340 ( -5.013 -1.049 -7.350) 8.958 ======================= Grid point 85 (41/116) ======================= q-point: (-0.14 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -3.613 -4.074 -14.105) 15.119 1.099 ( 8.401 -7.368 -3.289) 11.649 1.401 ( -7.253 -6.894 4.422) 10.940 1.822 ( -2.715 -0.331 1.997) 3.386 1.911 ( 3.917 -6.475 1.487) 7.713 2.321 ( -2.965 -4.386 6.905) 8.701 2.415 ( 0.355 0.970 6.571) 6.651 2.632 ( -1.478 -1.760 0.720) 2.408 2.792 ( -5.455 -0.304 0.195) 5.467 2.857 ( 3.839 5.009 0.523) 6.333 3.026 ( 1.823 -0.539 -0.294) 1.924 3.166 ( 0.741 2.177 -4.728) 5.257 3.332 ( 0.251 -1.714 -6.025) 6.269 3.426 ( -1.120 -0.850 3.919) 4.164 3.521 ( -1.840 2.615 3.178) 4.508 3.622 ( -3.298 -2.080 -0.319) 3.912 3.729 ( 0.833 2.280 6.964) 7.375 3.889 ( -1.556 1.132 0.807) 2.087 4.072 ( 0.881 7.875 -1.412) 8.049 4.439 ( 3.653 1.257 -7.509) 8.444 4.538 ( 1.398 -1.364 -0.703) 2.076 4.748 ( 0.757 2.898 -11.463) 11.848 5.183 ( -2.995 3.878 7.637) 9.073 5.267 ( 0.254 1.955 -8.302) 8.532 5.966 ( 1.145 -0.923 0.502) 1.554 6.258 ( 0.463 -0.021 -3.597) 3.627 7.314 ( -2.802 -1.635 18.650) 18.930 7.538 ( -2.407 0.120 18.892) 19.045 8.036 ( 13.064 10.433 103.223) 104.568 9.432 ( 0.687 -0.370 -7.106) 7.148 10.156 ( -1.006 0.937 -1.569) 2.086 10.627 ( 0.708 0.346 -13.149) 13.173 11.114 ( 0.709 0.101 6.299) 6.340 11.864 ( -2.525 0.926 -17.305) 17.513 13.928 ( 9.283 -12.908 -3.422) 16.264 14.283 ( -6.061 -0.897 -8.396) 10.394 ======================= Grid point 91 (42/116) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -7.198 -0.000 14.141) 15.867 0.983 ( -1.135 -0.000 -3.740) 3.908 1.321 ( 1.263 0.000 3.296) 3.530 1.487 ( -6.649 -0.000 -1.644) 6.850 1.901 ( -15.236 -0.000 4.615) 15.920 2.275 ( -0.780 -0.000 12.794) 12.818 2.554 ( -3.720 -0.000 0.730) 3.791 2.604 ( 6.568 0.000 -1.008) 6.645 2.625 ( 13.956 0.000 5.664) 15.061 3.019 ( -3.539 -0.000 -1.196) 3.735 3.081 ( 0.712 0.000 -7.583) 7.617 3.162 ( 1.856 0.000 -8.918) 9.109 3.360 ( 0.873 0.000 -0.432) 0.974 3.406 ( -0.906 -0.000 0.427) 1.001 3.487 ( 1.568 0.000 -2.629) 3.061 3.592 ( -4.744 -0.000 2.766) 5.492 3.685 ( 0.529 0.000 3.486) 3.526 4.069 ( -5.870 -0.000 -2.577) 6.411 4.147 ( 3.764 0.000 1.311) 3.986 4.478 ( 3.840 0.000 0.106) 3.841 4.495 ( 0.670 0.000 -1.227) 1.398 4.820 ( -0.282 -0.000 -11.267) 11.270 5.265 ( 0.528 0.000 -11.234) 11.246 5.369 ( -4.464 -0.000 13.231) 13.964 5.945 ( 2.108 0.000 -0.753) 2.238 6.243 ( 0.556 0.000 -2.915) 2.968 7.277 ( -2.880 -0.000 19.833) 20.041 7.541 ( -3.094 -0.000 19.091) 19.340 8.361 ( 35.904 0.000 113.852) 119.379 9.426 ( 0.874 0.000 -7.441) 7.493 10.180 ( -1.595 -0.000 -2.113) 2.648 10.632 ( 0.674 0.000 -13.099) 13.116 11.115 ( 1.271 0.000 6.357) 6.483 11.929 ( -1.935 -0.000 -24.760) 24.835 13.540 ( 1.223 0.000 3.021) 3.259 14.260 ( -5.553 -0.000 -6.784) 8.767 ======================= Grid point 92 (43/116) ======================= q-point: (-0.14 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -5.775 -2.498 4.165) 7.546 0.991 ( -9.432 -8.519 9.695) 15.985 1.368 ( 6.013 -0.502 -12.833) 14.181 1.552 ( -7.271 -16.218 2.864) 18.002 1.809 ( -6.812 -4.864 12.621) 15.145 2.263 ( -0.615 1.335 11.098) 11.195 2.439 ( -3.862 3.904 3.315) 6.414 2.637 ( 5.125 2.466 -0.646) 5.724 2.835 ( 5.531 1.822 -2.529) 6.348 2.991 ( -0.679 2.053 0.493) 2.218 3.031 ( 4.841 0.304 -1.468) 5.068 3.213 ( 1.068 -0.257 -9.765) 9.827 3.333 ( 1.727 1.540 0.680) 2.412 3.402 ( -0.991 -0.252 2.179) 2.407 3.524 ( -7.281 -1.115 3.353) 8.093 3.532 ( 2.466 -1.406 -2.585) 3.839 3.727 ( 0.354 -2.833 4.428) 5.269 3.919 ( -5.417 6.374 1.623) 8.521 4.184 ( 2.435 2.347 -5.059) 6.085 4.488 ( 1.280 1.224 -3.883) 4.268 4.526 ( 0.166 -1.833 1.846) 2.607 4.784 ( -0.661 1.986 -11.324) 11.516 5.227 ( -1.708 4.059 0.524) 4.435 5.290 ( -2.373 2.473 1.096) 3.598 5.975 ( 2.083 -0.384 -0.754) 2.248 6.252 ( 0.037 -0.647 -3.309) 3.372 7.274 ( -1.879 -1.028 16.739) 16.875 7.521 ( -2.689 -0.157 18.605) 18.799 8.747 ( 39.111 25.754 120.527) 129.305 9.432 ( 0.997 -0.107 -7.273) 7.342 10.153 ( -1.355 0.605 -1.234) 1.930 10.628 ( 0.589 0.106 -13.134) 13.148 11.135 ( 1.086 0.196 6.746) 6.835 11.830 ( -5.309 2.515 -22.540) 23.293 13.760 ( 7.660 -18.701 -3.461) 20.503 14.193 ( -5.248 -0.504 -6.563) 8.418 ======================= Grid point 99 (44/116) ======================= q-point: (-0.14 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 3.352 0.000 33.104) 33.273 0.722 ( -13.995 -0.000 15.769) 21.083 0.951 ( -29.592 -0.000 -3.677) 29.820 1.641 ( 16.915 0.000 -10.601) 19.963 1.733 ( -2.180 -0.000 13.319) 13.496 2.243 ( -3.850 -0.000 11.147) 11.793 2.441 ( -2.918 -0.000 -1.055) 3.103 2.752 ( 3.725 0.000 1.048) 3.870 2.962 ( 10.204 0.000 -0.307) 10.208 2.975 ( 0.037 0.000 1.639) 1.639 3.077 ( 0.179 0.000 -3.258) 3.263 3.199 ( 2.074 0.000 -9.419) 9.644 3.378 ( -3.155 -0.000 -2.786) 4.209 3.390 ( 1.595 0.000 4.003) 4.309 3.410 ( -7.928 -0.000 7.039) 10.602 3.571 ( 6.012 0.000 -2.816) 6.639 3.690 ( -2.476 -0.000 -0.438) 2.515 3.898 ( -6.701 -0.000 3.240) 7.443 4.248 ( 3.760 0.000 -3.197) 4.935 4.480 ( -3.079 -0.000 1.810) 3.572 4.507 ( 0.114 0.000 -0.538) 0.550 4.775 ( -1.637 -0.000 -11.284) 11.402 5.253 ( 0.074 0.000 -10.468) 10.468 5.288 ( -3.280 -0.000 12.192) 12.626 5.997 ( 2.087 0.000 -1.835) 2.779 6.240 ( -0.342 -0.000 -3.083) 3.102 7.261 ( -1.015 -0.000 14.441) 14.477 7.503 ( -2.323 -0.000 18.298) 18.445 9.439 ( 1.160 0.000 -7.139) 7.232 9.906 ( 70.482 0.000 97.138) 120.014 10.156 ( 4.235 0.000 7.277) 8.419 10.624 ( 0.422 0.000 -13.242) 13.249 11.153 ( 0.764 0.000 6.927) 6.969 11.755 ( -9.350 -0.000 -27.622) 29.162 13.564 ( 0.267 0.000 2.546) 2.560 14.131 ( -3.404 -0.000 -5.320) 6.316 ======================= Grid point 100 (45/116) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 1.067 0.000 9.893) 9.951 0.939 ( -2.287 -0.000 18.606) 18.746 1.574 ( 12.681 0.000 19.928) 23.620 1.745 ( 9.766 0.000 -10.046) 14.010 2.026 ( -5.466 -0.000 23.957) 24.572 2.395 ( -4.345 -0.000 13.518) 14.199 2.459 ( 1.478 0.000 4.562) 4.795 2.823 ( 1.614 0.000 0.248) 1.633 2.994 ( -1.513 -0.000 -5.523) 5.727 2.998 ( -6.318 -0.000 -1.994) 6.625 3.042 ( 0.218 0.000 -7.492) 7.495 3.080 ( 2.591 0.000 -1.675) 3.085 3.249 ( 1.285 0.000 4.018) 4.219 3.436 ( -1.449 -0.000 4.276) 4.515 3.500 ( -1.568 -0.000 -0.879) 1.798 3.689 ( -8.839 -0.000 8.273) 12.107 3.785 ( 8.776 0.000 2.641) 9.165 3.917 ( -3.891 -0.000 12.575) 13.163 4.162 ( 1.712 0.000 -7.932) 8.114 4.416 ( 0.249 0.000 -2.813) 2.824 4.421 ( -3.636 -0.000 -4.631) 5.888 4.574 ( -1.609 -0.000 -1.149) 1.977 5.024 ( 0.099 0.000 -10.904) 10.905 5.521 ( 1.015 0.000 12.586) 12.627 5.911 ( -0.051 -0.000 -10.737) 10.737 6.164 ( 0.223 0.000 -2.507) 2.517 7.576 ( -0.340 -0.000 17.902) 17.905 7.935 ( -0.833 -0.000 24.731) 24.745 9.298 ( 1.431 0.000 -8.330) 8.452 10.089 ( -0.780 -0.000 -1.455) 1.651 10.330 ( 0.456 0.000 -14.061) 14.068 10.567 ( -15.494 -0.000 -14.474) 21.203 11.290 ( -1.060 -0.000 6.022) 6.115 11.985 ( 15.258 0.000 -11.046) 18.836 13.604 ( -1.847 -0.000 2.934) 3.467 14.004 ( 2.897 0.000 -5.994) 6.657 ======================= Grid point 101 (46/116) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 23.880 -4.305 -0.848) 24.280 0.989 ( 2.669 -6.189 16.944) 18.235 1.617 ( 5.387 11.317 -5.367) 13.634 1.926 ( -0.144 0.332 8.802) 8.810 2.046 ( -0.573 -14.378 24.780) 28.655 2.362 ( -0.979 1.198 10.481) 10.594 2.398 ( 1.316 8.411 2.715) 8.935 2.759 ( -6.095 7.170 -3.629) 10.086 2.804 ( -0.035 1.371 2.075) 2.487 3.009 ( -2.236 0.523 -2.926) 3.720 3.098 ( -1.323 -1.656 -2.439) 3.232 3.176 ( -1.379 -9.152 -1.989) 9.467 3.262 ( 1.101 -0.734 4.840) 5.018 3.397 ( -2.188 3.305 1.821) 4.362 3.556 ( -3.906 -3.410 2.269) 5.660 3.566 ( -6.245 -4.864 -0.596) 7.938 3.829 ( 2.117 2.652 9.818) 10.388 3.933 ( 4.919 0.857 8.121) 9.534 4.195 ( 2.710 -1.534 -3.724) 4.855 4.343 ( -4.610 2.504 0.214) 5.251 4.416 ( 2.037 1.637 -5.750) 6.316 4.566 ( -0.715 -0.449 -1.956) 2.130 4.999 ( 0.095 1.738 -11.652) 11.782 5.491 ( 1.845 5.876 13.054) 14.434 5.932 ( 0.007 -2.892 -10.013) 10.422 6.153 ( -0.246 0.972 -2.716) 2.895 7.604 ( 1.035 -1.038 18.553) 18.611 7.953 ( -0.159 -0.283 24.916) 24.918 9.303 ( 1.089 0.441 -8.226) 8.309 10.036 ( -7.801 3.820 2.859) 9.145 10.261 ( -12.347 8.451 1.562) 15.043 10.332 ( 0.336 0.127 -12.857) 12.862 11.268 ( -1.776 0.807 5.437) 5.777 11.926 ( 4.883 14.580 -10.612) 18.682 13.728 ( -3.093 -13.654 -5.629) 15.089 14.046 ( 4.691 0.059 -5.617) 7.318 ======================= Grid point 102 (47/116) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 20.544 -2.648 -10.383) 23.171 1.210 ( 5.160 -7.251 4.269) 9.870 1.407 ( 0.423 9.809 -1.205) 9.892 1.799 ( -3.323 5.794 13.554) 15.110 2.171 ( -5.029 3.737 3.423) 7.140 2.259 ( -0.678 6.057 -0.232) 6.100 2.406 ( -0.767 -1.876 1.356) 2.438 2.716 ( 0.578 -8.548 8.200) 11.859 2.821 ( -6.126 -6.691 8.177) 12.213 2.959 ( 1.360 2.971 1.110) 3.451 3.063 ( -0.061 3.248 0.982) 3.394 3.196 ( -6.707 0.025 -2.697) 7.229 3.273 ( -5.521 -2.246 5.844) 8.348 3.408 ( 3.753 -4.163 -3.273) 6.490 3.540 ( -1.370 -1.586 3.134) 3.771 3.649 ( 2.381 -2.002 1.496) 3.452 3.851 ( 2.759 -1.228 5.913) 6.640 3.955 ( 1.148 2.065 10.312) 10.580 4.222 ( -7.342 1.900 6.449) 9.955 4.279 ( 6.440 0.352 -3.363) 7.274 4.407 ( 1.172 0.257 -5.799) 5.921 4.552 ( -0.308 1.225 -1.807) 2.205 4.959 ( 0.527 1.820 -12.821) 12.960 5.418 ( 1.583 5.655 13.416) 14.645 5.973 ( 0.151 -2.164 -7.816) 8.111 6.126 ( -0.387 1.035 -4.126) 4.272 7.661 ( 1.651 -1.526 19.068) 19.201 7.976 ( -0.282 -0.156 24.891) 24.893 9.295 ( 0.597 0.939 -7.387) 7.470 9.691 ( -18.010 11.539 32.708) 39.081 10.135 ( -0.382 1.629 -0.676) 1.804 10.335 ( 1.291 -0.131 -13.627) 13.688 11.238 ( -1.564 0.673 4.816) 5.109 11.735 ( 1.700 9.746 -12.283) 15.772 13.887 ( -5.154 -10.641 -9.967) 15.464 14.098 ( 5.302 0.780 -6.247) 8.231 ======================= Grid point 103 (48/116) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.520 20.152 -7.380) 21.467 1.165 ( 2.075 7.445 -8.407) 11.420 1.595 ( 3.560 -12.730 4.737) 14.042 1.857 ( 5.244 -3.992 6.102) 8.981 1.951 ( -1.964 8.093 -3.149) 8.903 2.186 ( 1.597 2.386 -3.033) 4.177 2.402 ( -2.543 -2.282 1.091) 3.586 2.768 ( -16.974 -5.507 8.555) 19.790 2.818 ( -2.034 -0.124 2.067) 2.903 3.013 ( 1.017 1.289 2.630) 3.100 3.057 ( 7.496 0.326 3.073) 8.108 3.156 ( -1.992 -2.162 -4.483) 5.361 3.306 ( 0.681 -6.863 8.623) 11.042 3.468 ( 1.602 2.605 0.718) 3.141 3.544 ( -0.677 -0.037 3.619) 3.682 3.703 ( 3.076 0.677 3.357) 4.603 3.883 ( 2.497 3.781 9.827) 10.822 3.929 ( -0.979 0.135 8.091) 8.151 4.085 ( -6.901 1.712 5.360) 8.904 4.359 ( 3.596 -1.433 -0.622) 3.921 4.441 ( 0.811 -2.927 -3.360) 4.529 4.527 ( -0.091 0.681 -2.601) 2.690 4.938 ( 0.938 0.284 -13.609) 13.644 5.369 ( 0.145 2.441 12.967) 13.195 5.989 ( -0.009 -0.204 -4.573) 4.577 6.113 ( 0.233 -0.286 -6.774) 6.784 7.708 ( 0.052 -0.183 18.514) 18.515 7.987 ( -1.131 0.324 24.656) 24.684 9.280 ( 0.673 0.637 -4.283) 4.382 9.428 ( -9.306 1.335 46.376) 47.320 10.115 ( 0.066 0.616 -1.845) 1.946 10.343 ( 1.417 -0.073 -13.844) 13.916 11.220 ( -0.771 0.010 4.721) 4.783 11.612 ( 1.046 5.586 -15.821) 16.811 13.959 ( -4.938 -6.274 -9.143) 12.139 14.126 ( 5.071 3.051 -7.404) 9.478 ======================= Grid point 104 (49/116) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -1.222 13.305 -7.794) 15.468 1.066 ( 2.948 3.856 -13.296) 14.155 1.587 ( -9.436 12.607 3.215) 16.072 1.820 ( 1.794 -7.476 4.990) 9.166 2.074 ( 6.166 1.113 0.269) 6.271 2.307 ( 7.796 -7.640 -1.393) 11.005 2.455 ( -1.109 -7.236 2.804) 7.839 2.677 ( -10.672 -3.527 2.977) 11.627 2.724 ( -6.961 2.380 5.347) 9.095 3.059 ( 4.135 0.202 0.995) 4.257 3.070 ( 4.180 7.765 3.652) 9.545 3.190 ( 1.667 -4.444 -6.476) 8.029 3.275 ( 1.359 10.437 7.563) 12.960 3.477 ( -0.729 -1.037 3.803) 4.009 3.559 ( 0.506 -2.222 4.410) 4.964 3.667 ( -1.612 4.500 3.794) 6.103 3.894 ( 3.255 -0.309 9.119) 9.688 3.927 ( -1.722 0.253 6.241) 6.479 4.036 ( -4.184 -4.087 5.373) 7.942 4.402 ( 0.148 -0.898 3.430) 3.549 4.496 ( 0.425 -1.938 -1.378) 2.415 4.535 ( -0.070 -2.282 -7.210) 7.562 4.949 ( 0.870 -1.423 -13.308) 13.412 5.357 ( -1.917 -1.093 12.557) 12.749 5.983 ( 0.543 0.625 -3.325) 3.426 6.124 ( 0.462 -0.904 -7.777) 7.843 7.688 ( -2.661 1.983 18.078) 18.380 7.977 ( -2.094 0.779 24.349) 24.451 9.278 ( 0.743 0.461 -8.137) 8.184 9.539 ( 2.614 -14.605 51.951) 54.028 10.110 ( 0.119 -0.031 -1.784) 1.788 10.348 ( 1.174 0.007 -14.037) 14.086 11.227 ( 0.040 -0.829 4.648) 4.721 11.531 ( 1.308 4.171 -16.033) 16.618 13.979 ( -3.286 -2.885 -7.966) 9.087 14.097 ( 4.521 6.523 -8.608) 11.708 ======================= Grid point 105 (50/116) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -2.266 3.845 -7.596) 8.810 1.114 ( 4.023 -1.639 -15.319) 15.923 1.287 ( -5.101 7.721 11.113) 14.461 1.896 ( 0.590 1.767 5.522) 5.828 2.137 ( 4.311 0.191 10.923) 11.744 2.376 ( -3.055 3.625 4.891) 6.811 2.559 ( -3.847 -5.158 4.753) 8.000 2.630 ( -3.578 2.217 6.492) 7.737 2.705 ( 1.753 -7.715 0.285) 7.917 2.945 ( 1.122 2.125 1.700) 2.944 3.088 ( 4.624 2.175 -6.910) 8.594 3.211 ( 3.633 4.255 5.539) 7.873 3.332 ( 5.144 -4.806 0.969) 7.106 3.440 ( -3.017 2.976 -1.713) 4.571 3.572 ( -0.634 2.617 6.478) 7.015 3.597 ( 3.189 0.802 2.211) 3.962 3.828 ( -4.824 3.076 3.268) 6.589 3.961 ( -1.252 -2.049 9.705) 9.998 4.110 ( -1.432 -5.237 2.960) 6.183 4.409 ( -1.151 -0.829 1.716) 2.226 4.507 ( -3.086 -1.222 -1.140) 3.509 4.574 ( 0.480 -2.024 -7.264) 7.556 4.982 ( 0.635 -2.292 -12.216) 12.446 5.384 ( -2.546 -4.137 12.697) 13.594 5.974 ( 1.062 1.411 -5.159) 5.453 6.138 ( 0.294 -0.874 -6.310) 6.378 7.628 ( -3.030 2.108 18.081) 18.454 7.954 ( -2.379 0.826 24.254) 24.385 9.276 ( 0.984 0.105 -8.152) 8.211 9.993 ( 5.018 -19.525 25.231) 32.296 10.144 ( 2.849 -7.918 8.627) 12.051 10.347 ( 0.739 0.031 -14.015) 14.035 11.253 ( 0.326 -1.233 4.337) 4.520 11.490 ( 4.552 2.215 -10.189) 11.377 13.957 ( 1.719 6.160 -7.638) 9.962 14.005 ( 0.352 4.239 -8.446) 9.457 ======================= Grid point 106 (51/116) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -11.785 -10.960 3.161) 16.401 0.980 ( -4.471 5.162 13.769) 15.369 1.407 ( 11.677 -4.493 -4.036) 13.146 1.775 ( 6.757 15.538 9.547) 19.448 2.089 ( -3.153 3.958 22.807) 23.361 2.381 ( -1.572 -6.743 4.391) 8.199 2.467 ( -8.253 1.097 13.594) 15.941 2.728 ( 5.055 -5.210 -2.198) 7.584 2.856 ( -0.482 -8.810 -2.334) 9.126 3.005 ( 2.392 -2.746 -5.070) 6.242 3.089 ( 3.455 2.945 -5.693) 7.282 3.166 ( 2.703 6.763 4.679) 8.657 3.295 ( -5.506 4.307 -2.875) 7.559 3.432 ( -1.226 -2.881 4.773) 5.708 3.557 ( 4.440 5.881 2.884) 7.913 3.651 ( 6.591 -0.949 0.504) 6.678 3.751 ( -4.872 -1.400 9.526) 10.791 3.961 ( -6.091 -2.241 7.585) 9.982 4.149 ( 0.471 -0.726 -2.201) 2.365 4.416 ( -1.346 -1.549 -3.703) 4.234 4.465 ( -4.424 -0.064 -1.008) 4.538 4.592 ( -0.759 -0.580 -4.350) 4.454 5.015 ( 0.311 -1.710 -11.101) 11.236 5.456 ( -0.932 -5.069 12.582) 13.596 5.944 ( 0.492 2.405 -8.731) 9.070 6.154 ( 0.437 -0.827 -3.655) 3.772 7.584 ( -1.817 1.087 17.849) 17.975 7.935 ( -1.816 0.489 24.437) 24.510 9.285 ( 1.384 -0.140 -8.254) 8.371 10.090 ( -0.290 -0.757 -1.509) 1.713 10.338 ( 0.397 0.050 -14.150) 14.155 10.557 ( -4.061 -19.152 -3.444) 19.878 11.281 ( 0.074 -1.119 5.527) 5.639 11.641 ( 16.469 -7.893 0.643) 18.274 13.767 ( 0.650 13.843 -4.226) 14.489 13.987 ( 0.603 -0.154 -6.720) 6.749 ======================= Grid point 108 (52/116) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 26.670 0.000 1.126) 26.693 1.006 ( 6.316 0.000 17.184) 18.308 1.794 ( 1.348 0.000 12.409) 12.482 1.900 ( 2.894 0.000 -7.463) 8.004 1.937 ( -3.043 -0.000 25.771) 25.950 2.372 ( -0.989 -0.000 11.821) 11.862 2.516 ( 0.361 0.000 3.507) 3.526 2.697 ( -8.864 -0.000 1.190) 8.943 2.878 ( -1.381 -0.000 -2.837) 3.155 2.911 ( -11.722 -0.000 -4.193) 12.449 2.965 ( 0.864 0.000 -3.187) 3.302 3.146 ( 2.534 0.000 -0.951) 2.706 3.335 ( 2.090 0.000 3.723) 4.270 3.382 ( -6.337 -0.000 -2.546) 6.830 3.429 ( -6.555 -0.000 -4.605) 8.011 3.451 ( 2.727 0.000 0.920) 2.878 3.897 ( 1.413 0.000 18.495) 18.549 4.007 ( 4.074 0.000 6.775) 7.906 4.180 ( -0.898 -0.000 -1.237) 1.529 4.338 ( -0.491 -0.000 -7.871) 7.887 4.467 ( 3.327 0.000 -3.878) 5.109 4.551 ( -0.220 -0.000 1.360) 1.378 5.008 ( 0.181 0.000 -11.910) 11.911 5.596 ( 3.159 0.000 12.654) 13.042 5.891 ( 0.028 0.000 -10.491) 10.491 6.154 ( -0.748 -0.000 -2.321) 2.439 7.632 ( 2.297 0.000 19.483) 19.618 7.974 ( 0.500 0.000 25.083) 25.088 9.312 ( 0.754 0.000 -8.196) 8.231 9.922 ( -19.696 -0.000 11.049) 22.584 10.201 ( -5.885 -0.000 -0.323) 5.893 10.326 ( 1.159 0.000 -13.742) 13.791 11.251 ( -2.738 -0.000 5.166) 5.846 12.062 ( -4.337 -0.000 -19.960) 20.425 13.557 ( -2.089 -0.000 2.134) 2.986 14.105 ( 5.530 0.000 -5.814) 8.024 ======================= Grid point 109 (53/116) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 13.928 -4.093 5.675) 15.586 1.240 ( 19.594 -2.242 3.390) 20.011 1.625 ( -4.537 13.239 0.806) 14.018 1.883 ( -2.441 4.806 13.074) 14.142 2.049 ( -3.130 -9.111 11.855) 15.276 2.338 ( -5.160 2.048 4.789) 7.332 2.410 ( -1.315 7.869 -0.161) 7.980 2.556 ( -9.998 -3.412 3.250) 11.053 2.746 ( -3.692 5.874 -0.246) 6.942 2.934 ( -3.617 -9.116 -0.655) 9.830 3.071 ( 1.894 -4.288 -3.838) 6.058 3.158 ( 0.507 1.729 1.976) 2.675 3.222 ( -1.093 3.699 1.088) 4.007 3.363 ( -0.920 -3.430 -5.977) 6.952 3.506 ( 1.400 -2.587 0.097) 2.943 3.542 ( 0.814 -9.569 -1.032) 9.658 3.912 ( 2.131 1.669 14.423) 14.675 4.018 ( 1.230 2.971 8.749) 9.321 4.160 ( -3.984 -0.048 4.929) 6.338 4.342 ( 3.415 0.144 -5.699) 6.645 4.473 ( 2.805 3.298 -5.584) 7.066 4.554 ( -0.731 -0.113 2.035) 2.165 4.987 ( 0.546 1.510 -12.541) 12.643 5.574 ( 2.850 7.021 12.281) 14.430 5.922 ( 0.463 -3.169 -8.161) 8.767 6.134 ( -0.745 0.797 -2.916) 3.114 7.687 ( 2.886 -0.575 20.191) 20.404 7.999 ( 0.382 0.277 25.012) 25.017 9.307 ( 0.265 0.520 -7.714) 7.736 9.600 ( -24.108 5.303 31.360) 39.909 10.154 ( -0.556 1.233 -1.987) 2.403 10.336 ( 1.413 -0.387 -13.696) 13.774 11.220 ( -2.628 -0.053 4.521) 5.230 11.884 ( -4.374 8.447 -17.602) 20.008 13.632 ( -3.445 -9.697 -2.028) 10.489 14.168 ( 5.426 0.064 -6.571) 8.522 ======================= Grid point 110 (54/116) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -3.169 19.995 -4.400) 20.717 1.314 ( 0.392 8.217 -2.556) 8.614 1.469 ( 9.022 -8.380 7.167) 14.247 1.879 ( 8.669 -4.172 10.235) 14.047 2.056 ( -4.257 5.459 -4.548) 8.284 2.217 ( -4.366 0.483 3.057) 5.351 2.343 ( -0.238 -0.551 -2.053) 2.139 2.454 ( -16.908 -2.884 8.469) 19.129 2.743 ( -0.656 -4.408 1.956) 4.867 3.032 ( -0.818 -0.822 -6.854) 6.951 3.060 ( 0.540 -1.226 5.615) 5.773 3.205 ( 2.164 0.645 -1.443) 2.680 3.214 ( 3.816 -5.553 4.910) 8.337 3.467 ( 2.214 -5.269 -2.631) 6.292 3.557 ( 2.215 -0.553 1.378) 2.666 3.695 ( -0.674 -7.143 0.880) 7.229 3.923 ( 1.838 0.928 5.823) 6.177 3.963 ( -1.246 4.071 11.079) 11.869 4.082 ( -3.661 4.687 11.947) 13.346 4.386 ( 2.155 -0.928 -4.357) 4.949 4.431 ( 1.497 2.852 -6.206) 6.992 4.536 ( -1.290 0.666 3.003) 3.335 4.959 ( 1.148 1.539 -13.357) 13.494 5.480 ( 1.452 7.506 12.770) 14.883 5.968 ( 0.234 -1.891 -5.186) 5.525 6.114 ( 0.194 0.466 -4.969) 4.995 7.736 ( 1.420 0.568 19.472) 19.532 8.010 ( -0.429 0.931 24.755) 24.776 9.286 ( -3.468 0.476 9.605) 10.223 9.320 ( -12.880 0.269 30.726) 33.317 10.130 ( 0.081 1.077 -2.535) 2.756 10.347 ( 1.426 -0.177 -13.920) 13.994 11.202 ( -1.784 -0.649 4.211) 4.620 11.707 ( -1.399 6.091 -17.282) 18.377 13.751 ( -3.967 -9.317 -4.644) 11.140 14.217 ( 4.660 0.925 -8.024) 9.325 ======================= Grid point 111 (55/116) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -4.868 18.063 -1.887) 18.803 1.150 ( -1.945 5.496 -8.216) 10.074 1.677 ( 2.936 0.347 -0.849) 3.076 1.812 ( -1.893 9.275 0.928) 9.512 2.100 ( 0.857 -6.119 2.561) 6.688 2.283 ( 6.604 -4.468 5.888) 9.911 2.327 ( -6.180 -5.725 1.620) 8.579 2.417 ( -3.431 -6.687 0.008) 7.516 2.727 ( -4.257 2.525 2.534) 5.560 3.030 ( 0.517 -4.217 3.524) 5.520 3.143 ( 0.946 -2.926 -6.756) 7.423 3.225 ( 3.320 1.381 -0.068) 3.596 3.392 ( 5.165 -4.163 7.731) 10.187 3.512 ( 1.280 4.018 0.916) 4.316 3.567 ( 1.594 1.575 4.442) 4.975 3.734 ( -1.421 3.565 2.921) 4.823 3.875 ( -5.675 -1.461 6.475) 8.733 3.920 ( -2.305 -0.027 9.142) 9.428 4.003 ( 3.541 3.370 9.498) 10.682 4.380 ( -1.890 0.289 -4.618) 4.999 4.447 ( -0.360 -2.931 -2.408) 3.810 4.520 ( 0.319 0.456 1.353) 1.463 4.944 ( 1.273 0.546 -13.775) 13.844 5.386 ( -0.493 4.874 12.764) 13.671 5.986 ( 0.269 -0.589 -3.064) 3.132 6.116 ( 0.855 -0.263 -7.115) 7.171 7.720 ( -1.386 2.811 18.457) 18.721 7.997 ( -1.384 1.530 24.430) 24.517 9.281 ( -1.320 -0.506 -2.817) 3.152 9.323 ( -4.161 -11.464 48.421) 49.933 10.115 ( 0.168 0.598 -2.292) 2.374 10.352 ( 1.084 0.122 -14.150) 14.192 11.206 ( -0.865 -1.310 4.190) 4.474 11.604 ( 0.441 3.910 -16.779) 17.235 13.847 ( -2.297 -6.769 -5.140) 8.804 14.228 ( 3.550 3.016 -10.229) 11.239 ======================= Grid point 112 (56/116) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 3.722 9.223 -7.983) 12.753 1.109 ( 2.075 -2.040 -13.251) 13.566 1.450 ( -1.307 15.398 4.245) 16.026 1.824 ( -2.104 -4.310 6.496) 8.075 2.153 ( -0.184 -2.489 4.639) 5.268 2.341 ( -9.144 -9.462 1.309) 13.223 2.463 ( 0.515 2.296 -1.885) 3.014 2.542 ( 4.720 -7.692 3.046) 9.525 2.684 ( 4.095 -1.627 4.387) 6.218 3.105 ( -1.391 10.294 9.847) 14.314 3.156 ( 3.542 -0.907 -5.019) 6.210 3.204 ( -2.211 -2.631 2.806) 4.436 3.355 ( 4.455 2.431 5.233) 7.290 3.512 ( 1.014 4.488 2.462) 5.218 3.566 ( -3.835 2.138 6.396) 7.758 3.645 ( 3.070 -0.480 1.717) 3.550 3.857 ( -4.401 -1.109 1.318) 4.726 3.908 ( -2.580 0.930 6.556) 7.106 4.043 ( 3.900 -2.008 9.102) 10.104 4.362 ( -2.867 -2.397 -6.598) 7.583 4.461 ( -2.328 0.298 6.401) 6.817 4.536 ( 0.535 -1.905 -6.265) 6.570 4.949 ( 0.793 -0.954 -13.444) 13.501 5.336 ( -1.257 0.415 12.953) 13.020 5.995 ( 0.727 0.076 -3.987) 4.053 6.124 ( 0.459 -0.453 -6.975) 7.004 7.659 ( -1.800 3.132 18.254) 18.608 7.970 ( -1.665 1.491 24.372) 24.474 9.278 ( 0.353 -0.317 -7.350) 7.365 9.637 ( -1.958 -22.541 44.791) 50.181 10.113 ( 0.272 -0.409 -0.984) 1.100 10.347 ( 0.549 0.310 -14.249) 14.263 11.229 ( -0.355 -1.699 4.207) 4.551 11.559 ( 2.672 1.446 -13.029) 13.379 13.921 ( 0.281 -3.840 -5.315) 6.563 14.172 ( 1.932 6.648 -12.752) 14.510 ======================= Grid point 113 (57/116) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 15.193 11.919 -9.194) 21.387 1.120 ( 1.423 10.196 4.909) 11.405 1.354 ( 4.367 -8.813 -5.293) 11.169 1.883 ( -3.384 -5.414 10.615) 12.388 2.226 ( 0.997 -3.243 9.494) 10.082 2.337 ( -3.256 7.799 6.932) 10.931 2.362 ( -3.216 -0.528 3.327) 4.657 2.708 ( 4.400 -5.339 3.693) 7.842 2.730 ( -0.303 1.178 4.587) 4.746 2.988 ( 2.375 -1.109 -0.327) 2.641 3.142 ( -3.594 0.807 -5.053) 6.253 3.260 ( 1.981 -0.236 4.966) 5.351 3.361 ( -0.456 8.047 1.433) 8.186 3.422 ( -2.097 3.249 4.762) 6.134 3.519 ( -2.690 -7.238 6.346) 9.994 3.697 ( 0.460 3.096 0.293) 3.143 3.835 ( -0.774 3.641 4.657) 5.962 3.850 ( 0.675 -2.317 4.001) 4.672 4.141 ( 3.638 -2.530 3.224) 5.480 4.371 ( -3.449 -2.800 -5.813) 7.316 4.407 ( -2.540 1.642 4.146) 5.132 4.567 ( -0.230 -1.542 -5.802) 6.008 4.972 ( 0.220 -2.095 -12.320) 12.499 5.373 ( -0.023 -4.360 13.563) 14.246 5.982 ( 0.339 1.873 -7.646) 7.879 6.136 ( 0.176 -1.103 -4.444) 4.582 7.613 ( -0.452 2.136 18.200) 18.331 7.951 ( -1.115 0.933 24.602) 24.645 9.288 ( 0.973 -0.545 -7.996) 8.073 9.985 ( -7.259 -15.547 16.142) 23.558 10.166 ( -2.599 -9.189 7.333) 12.040 10.335 ( 0.488 0.278 -14.134) 14.145 11.257 ( -0.607 -1.572 4.786) 5.074 11.642 ( 6.961 -6.632 -6.452) 11.579 13.963 ( 0.874 3.063 -7.900) 8.518 14.028 ( 1.100 7.425 -10.663) 13.040 ======================= Grid point 116 (58/116) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 14.504 0.000 10.254) 17.763 1.456 ( 12.091 0.000 7.355) 14.153 1.736 ( -0.130 -0.000 6.139) 6.141 1.772 ( -13.561 -0.000 6.023) 14.839 1.976 ( 0.225 0.000 15.475) 15.476 2.274 ( -7.421 -0.000 3.899) 8.383 2.493 ( 1.302 0.000 -3.538) 3.770 2.543 ( -6.039 -0.000 -1.975) 6.354 2.578 ( -10.179 -0.000 3.320) 10.707 2.876 ( 0.650 0.000 -2.676) 2.754 2.991 ( -0.972 -0.000 -3.559) 3.689 3.207 ( 3.082 0.000 -2.931) 4.253 3.296 ( 1.302 0.000 -4.383) 4.572 3.313 ( -3.042 -0.000 1.522) 3.402 3.388 ( 1.420 0.000 -6.128) 6.290 3.536 ( 2.605 0.000 -2.432) 3.564 3.950 ( 0.752 0.000 17.837) 17.853 4.078 ( 1.546 0.000 10.719) 10.830 4.136 ( -0.867 -0.000 2.046) 2.222 4.375 ( 2.675 0.000 -5.055) 5.719 4.518 ( -1.120 -0.000 3.193) 3.384 4.556 ( 1.915 0.000 -3.134) 3.672 4.997 ( 0.629 0.000 -12.514) 12.530 5.697 ( 2.980 0.000 12.235) 12.592 5.883 ( 0.594 0.000 -7.970) 7.992 6.129 ( -0.648 -0.000 -2.587) 2.667 7.741 ( 3.573 0.000 20.996) 21.298 8.028 ( 0.264 0.000 24.861) 24.863 9.306 ( -0.184 -0.000 -7.642) 7.644 9.365 ( -24.598 -0.000 40.328) 47.237 10.157 ( -0.233 -0.000 -3.348) 3.356 10.339 ( 1.543 0.000 -13.873) 13.959 11.188 ( -2.621 -0.000 3.907) 4.705 11.859 ( -7.412 -0.000 -21.086) 22.351 13.523 ( -0.812 -0.000 2.486) 2.616 14.222 ( 4.356 0.000 -7.378) 8.568 ======================= Grid point 117 (59/116) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -11.424 8.509 10.582) 17.745 1.479 ( 3.649 3.442 0.734) 5.069 1.589 ( 4.156 3.811 10.588) 11.995 1.872 ( 0.758 -4.751 8.984) 10.191 1.953 ( -6.460 -3.289 2.841) 7.785 2.188 ( -3.528 4.176 1.792) 5.752 2.314 ( 0.335 3.605 4.481) 5.761 2.459 ( 1.106 4.698 -1.707) 5.119 2.689 ( -0.596 -3.969 -4.080) 5.723 2.893 ( -0.847 -7.229 -3.520) 8.085 3.064 ( -2.705 -8.552 -0.523) 8.985 3.165 ( 0.118 7.985 -1.790) 8.184 3.245 ( 0.467 -0.640 -1.985) 2.137 3.389 ( 3.255 -6.751 -3.884) 8.442 3.511 ( -0.070 -7.915 -2.552) 8.317 3.571 ( 1.010 -1.859 -2.674) 3.410 3.963 ( -0.473 0.850 13.691) 13.725 4.068 ( 2.754 4.846 7.169) 9.081 4.130 ( 1.074 1.543 10.154) 10.327 4.391 ( 0.300 0.640 -2.861) 2.947 4.488 ( -2.670 0.483 2.742) 3.858 4.552 ( 2.279 3.105 -2.970) 4.864 4.986 ( 1.089 1.095 -12.825) 12.918 5.651 ( 1.522 7.976 11.496) 14.074 5.925 ( 0.465 -2.956 -4.468) 5.377 6.120 ( 0.211 0.251 -3.632) 3.647 7.790 ( 2.164 1.032 20.132) 20.274 8.041 ( -0.540 0.762 24.580) 24.598 9.133 ( -17.177 -0.667 51.571) 54.361 9.294 ( -0.380 0.179 -7.435) 7.447 10.145 ( -0.002 0.793 -3.869) 3.949 10.348 ( 1.353 -0.275 -14.153) 14.220 11.170 ( -1.685 -0.673 3.527) 3.966 11.733 ( -4.611 2.834 -20.707) 21.403 13.579 ( -0.632 -6.291 1.280) 6.451 14.261 ( 2.728 -0.107 -8.623) 9.045 ======================= Grid point 118 (60/116) ======================= q-point: ( 0.57 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -9.973 14.008 8.038) 18.981 1.190 ( -9.130 9.600 -1.060) 13.290 1.773 ( 13.099 -1.198 0.317) 13.158 1.874 ( -9.629 -0.647 4.942) 10.842 1.953 ( -6.245 -5.739 0.672) 8.509 2.110 ( -4.285 0.688 6.003) 7.408 2.356 ( 9.714 0.734 5.749) 11.312 2.459 ( 8.515 0.396 -3.246) 9.121 2.695 ( -2.510 -0.500 -1.292) 2.867 3.016 ( -0.022 0.598 -6.577) 6.604 3.058 ( -1.288 -4.133 1.078) 4.461 3.194 ( -0.996 -7.026 1.698) 7.296 3.316 ( 0.717 -8.171 -0.424) 8.214 3.538 ( 2.864 -4.358 -2.303) 5.701 3.589 ( -1.671 -2.061 0.666) 2.735 3.631 ( -1.415 -5.074 -1.535) 5.486 3.929 ( -1.934 2.153 13.185) 13.499 3.965 ( 0.163 10.397 5.283) 11.663 4.130 ( 4.752 3.538 10.531) 12.083 4.352 ( -4.113 0.680 3.917) 5.720 4.439 ( 0.127 2.398 -6.835) 7.244 4.539 ( 1.482 0.751 1.046) 1.964 4.969 ( 1.428 1.421 -13.399) 13.550 5.517 ( -0.267 8.874 12.505) 15.336 5.964 ( -0.010 -1.760 -2.459) 3.024 6.122 ( 1.062 0.103 -5.772) 5.870 7.776 ( -0.896 3.142 18.797) 19.079 8.027 ( -1.489 1.543 24.306) 24.400 9.104 ( -6.410 -7.620 56.440) 57.312 9.284 ( 0.053 -0.245 -6.544) 6.549 10.128 ( 0.092 0.869 -3.478) 3.586 10.354 ( 0.986 0.000 -14.379) 14.413 11.176 ( -0.665 -1.263 3.599) 3.871 11.633 ( -1.941 2.168 -19.854) 20.066 13.703 ( 0.394 -7.805 -0.552) 7.835 14.274 ( 0.882 0.448 -10.430) 10.477 ======================= Grid point 119 (61/116) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -2.655 8.145 1.610) 8.717 1.068 ( -2.985 -2.088 -6.687) 7.615 1.710 ( -1.578 10.167 2.908) 10.692 1.823 ( 3.276 5.578 3.149) 7.195 2.040 ( -9.642 -10.308 1.407) 14.184 2.081 ( 0.676 -3.542 -1.149) 3.785 2.467 ( 2.139 0.089 3.411) 4.027 2.575 ( 9.269 -1.865 -2.763) 9.850 2.711 ( 4.180 -2.392 4.568) 6.637 3.029 ( -1.340 -4.861 5.877) 7.744 3.117 ( -1.736 -4.002 -7.014) 8.260 3.265 ( -0.451 -1.091 1.659) 2.036 3.494 ( -2.520 8.169 7.211) 11.184 3.510 ( -0.479 -10.860 1.323) 10.950 3.599 ( -0.240 1.973 1.701) 2.616 3.651 ( -2.579 2.814 1.303) 4.033 3.767 ( -1.909 4.096 5.386) 7.031 3.915 ( -0.149 0.156 9.654) 9.656 4.134 ( 4.270 3.205 6.224) 8.200 4.296 ( -2.275 0.250 1.017) 2.504 4.433 ( -0.226 -1.447 -2.477) 2.878 4.541 ( 0.858 1.191 -0.718) 1.634 4.951 ( 1.089 1.060 -13.851) 13.934 5.388 ( -1.012 5.614 12.795) 14.009 5.988 ( 0.143 -1.150 -2.576) 2.824 6.125 ( 0.753 0.332 -7.076) 7.124 7.714 ( -1.333 3.447 18.494) 18.860 7.998 ( -1.784 1.648 24.317) 24.438 9.244 ( -1.351 -4.586 14.033) 14.825 9.344 ( -0.659 -10.229 33.309) 34.851 10.115 ( 0.132 0.393 -2.471) 2.506 10.348 ( 0.623 0.409 -14.382) 14.401 11.199 ( -0.124 -1.574 3.988) 4.289 11.579 ( -0.113 0.591 -17.635) 17.645 13.846 ( 2.575 -6.537 -2.421) 7.431 14.241 ( -1.166 2.407 -12.626) 12.906 ======================= Grid point 120 (62/116) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 10.327 -5.186 -8.205) 14.173 1.125 ( 1.227 -6.026 -9.647) 11.440 1.501 ( 3.440 15.527 4.986) 16.667 1.770 ( -1.724 0.371 9.734) 9.893 2.092 ( -5.981 -8.866 4.383) 11.558 2.183 ( -1.311 -6.301 -8.016) 10.280 2.435 ( -1.010 1.128 0.256) 1.535 2.750 ( 9.009 -2.698 3.024) 9.879 2.820 ( 4.891 -0.066 5.600) 7.436 3.049 ( -4.914 -0.741 6.922) 8.521 3.117 ( -5.106 12.270 7.021) 15.031 3.196 ( -0.803 -5.395 -3.238) 6.343 3.366 ( -4.936 0.829 5.861) 7.708 3.477 ( -2.746 5.480 3.881) 7.255 3.553 ( 2.591 3.274 3.512) 5.456 3.651 ( -3.461 -2.691 -0.281) 4.393 3.799 ( 2.801 -3.526 5.185) 6.868 3.921 ( 0.827 0.492 7.576) 7.637 4.165 ( 2.953 -1.858 3.930) 5.256 4.283 ( -1.245 -0.054 -1.293) 1.796 4.435 ( -0.356 1.821 1.939) 2.683 4.532 ( 0.034 -0.849 -5.347) 5.415 4.943 ( 0.582 -0.397 -13.563) 13.581 5.343 ( -0.002 -0.273 13.186) 13.188 5.998 ( 0.088 0.124 -5.081) 5.084 6.121 ( 0.135 -0.112 -6.254) 6.257 7.670 ( 0.140 2.526 18.528) 18.700 7.975 ( -1.239 1.004 24.587) 24.639 9.275 ( 0.396 -1.180 -5.819) 5.950 9.580 ( -8.094 -15.716 43.197) 46.675 10.116 ( 0.116 -0.587 -1.181) 1.324 10.337 ( 0.794 0.379 -14.101) 14.128 11.227 ( -0.429 -1.396 4.507) 4.738 11.599 ( 2.098 -3.609 -13.732) 14.353 13.973 ( 3.897 -3.185 -4.443) 6.714 14.132 ( -2.984 5.802 -13.611) 15.094 ======================= Grid point 124 (63/116) ======================= q-point: ( 0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -12.732 -0.000 15.162) 19.798 1.358 ( -18.456 -0.000 11.717) 21.862 1.666 ( 10.883 0.000 6.999) 12.940 1.792 ( -8.061 -0.000 11.319) 13.896 2.005 ( 6.038 0.000 -4.052) 7.271 2.295 ( 7.405 0.000 5.209) 9.054 2.334 ( -6.811 -0.000 0.796) 6.857 2.478 ( 0.785 0.000 8.464) 8.500 2.623 ( 6.722 0.000 -7.088) 9.768 2.838 ( -3.190 -0.000 -5.889) 6.698 2.938 ( -1.087 -0.000 -8.193) 8.265 3.219 ( -4.071 -0.000 -0.259) 4.080 3.297 ( 3.990 0.000 -5.473) 6.773 3.315 ( -0.143 -0.000 -7.598) 7.600 3.435 ( 1.921 0.000 -1.052) 2.190 3.563 ( 0.738 0.000 -3.195) 3.279 3.962 ( -2.653 -0.000 13.838) 14.090 4.159 ( 1.441 0.000 4.816) 5.027 4.184 ( 6.067 0.000 10.150) 11.825 4.412 ( 1.001 0.000 -4.175) 4.293 4.430 ( -5.414 -0.000 10.489) 11.804 4.619 ( 2.712 0.000 -4.962) 5.655 4.999 ( 1.214 0.000 -12.441) 12.500 5.756 ( -0.213 -0.000 12.243) 12.244 5.891 ( 0.775 0.000 -4.823) 4.885 6.122 ( 0.433 0.000 -3.452) 3.479 7.837 ( 0.302 0.000 19.227) 19.229 8.056 ( -1.366 -0.000 24.273) 24.311 8.998 ( -9.141 -0.000 57.830) 58.547 9.283 ( -0.569 -0.000 -7.149) 7.172 10.148 ( -0.076 -0.000 -4.745) 4.745 10.350 ( 1.230 0.000 -14.354) 14.407 11.152 ( -0.625 -0.000 3.197) 3.258 11.676 ( -4.557 -0.000 -22.336) 22.796 13.531 ( 1.030 0.000 3.821) 3.957 14.271 ( 0.514 0.000 -9.320) 9.334 ======================= Grid point 125 (64/116) ======================= q-point: (-0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -11.721 5.772 12.104) 17.811 1.207 ( -16.211 4.485 9.188) 19.166 1.734 ( -5.889 -2.269 9.766) 11.628 1.808 ( -1.574 -4.051 3.881) 5.827 1.907 ( 4.023 6.071 0.067) 7.283 2.206 ( 4.623 6.309 4.377) 8.963 2.507 ( 4.993 1.067 8.073) 9.552 2.532 ( 8.729 -4.911 0.699) 10.040 2.701 ( 2.507 2.806 -9.374) 10.102 2.863 ( -2.187 -12.440 -0.452) 12.639 2.975 ( -2.647 -5.481 -6.261) 8.732 3.109 ( -3.319 4.763 -3.285) 6.670 3.266 ( 0.478 1.608 -2.926) 3.373 3.425 ( 1.139 -8.168 -5.917) 10.150 3.513 ( -0.549 -4.290 -1.124) 4.469 3.588 ( 1.147 -1.861 -2.425) 3.265 3.931 ( -3.204 0.145 13.515) 13.890 4.126 ( 0.389 6.095 5.688) 8.345 4.243 ( 3.815 2.076 4.378) 6.167 4.347 ( -1.121 2.496 11.373) 11.697 4.446 ( -0.465 -1.018 -1.151) 1.606 4.606 ( 2.087 3.536 -4.773) 6.296 4.997 ( 1.462 0.913 -12.617) 12.734 5.669 ( -1.879 7.899 11.592) 14.152 5.926 ( 0.089 -2.337 -2.335) 3.305 6.130 ( 0.959 -0.239 -4.790) 4.891 7.816 ( -3.124 1.850 18.431) 18.786 8.046 ( -2.309 0.848 24.065) 24.191 9.034 ( 3.012 -2.513 61.095) 61.221 9.273 ( -0.244 -0.252 -6.892) 6.901 10.138 ( -0.087 0.583 -4.545) 4.584 10.354 ( 1.026 -0.083 -14.488) 14.525 11.160 ( 0.446 -0.650 3.363) 3.455 11.605 ( -3.086 0.518 -22.439) 22.656 13.601 ( 1.829 -5.444 3.222) 6.586 14.260 ( -1.572 -0.299 -10.299) 10.423 ======================= Grid point 126 (65/116) ======================= q-point: (-0.29 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -10.723 11.579 6.600) 17.106 0.962 ( -5.617 -2.218 -0.002) 6.039 1.719 ( -4.653 -3.514 9.956) 11.537 1.817 ( -1.562 -1.794 2.417) 3.391 1.934 ( -0.890 -0.807 -3.015) 3.246 2.190 ( 9.924 7.137 1.605) 12.329 2.527 ( 0.242 2.647 2.716) 3.801 2.667 ( 7.275 1.374 -3.680) 8.268 2.705 ( 5.101 -4.034 6.648) 9.300 2.996 ( -1.014 0.766 0.070) 1.272 3.015 ( -0.970 -3.413 -8.303) 9.029 3.127 ( -6.651 -15.442 5.456) 17.677 3.269 ( -1.981 -2.548 -3.362) 4.660 3.516 ( -3.060 -1.727 0.667) 3.576 3.568 ( 0.876 -4.409 -0.862) 4.577 3.638 ( 0.156 -2.491 -2.314) 3.404 3.909 ( -1.022 2.678 13.718) 14.014 3.968 ( -0.910 9.440 5.531) 10.978 4.204 ( -1.805 3.346 5.357) 6.569 4.343 ( 3.765 2.286 9.840) 10.781 4.434 ( 1.239 1.364 -5.414) 5.719 4.577 ( 1.243 1.778 -3.024) 3.722 4.981 ( 1.255 1.730 -13.157) 13.329 5.503 ( -2.526 8.216 12.370) 15.064 5.960 ( -0.060 -1.824 -2.039) 2.736 6.137 ( 0.840 0.341 -6.586) 6.648 7.753 ( -3.257 1.925 18.372) 18.757 8.016 ( -2.637 1.160 24.124) 24.295 9.200 ( 5.902 -2.168 45.037) 45.473 9.289 ( 1.746 -1.957 7.706) 8.140 10.122 ( -0.079 0.607 -3.543) 3.595 10.352 ( 0.808 0.288 -14.435) 14.461 11.185 ( 0.908 -0.880 3.936) 4.134 11.552 ( -1.880 -0.245 -21.099) 21.184 13.757 ( 3.657 -8.084 0.420) 8.882 14.222 ( -3.401 0.283 -11.452) 11.950 ======================= Grid point 127 (66/116) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -3.489 -6.052 -3.330) 7.739 1.029 ( 1.016 -6.647 -7.987) 10.441 1.726 ( 3.049 5.871 10.546) 12.450 1.819 ( -8.531 -8.119 2.762) 12.097 1.927 ( 4.632 4.394 -5.531) 8.447 2.164 ( 5.071 4.737 -3.653) 7.842 2.460 ( -0.566 3.297 0.978) 3.485 2.784 ( 2.131 -3.487 3.307) 5.257 2.840 ( 7.052 -4.512 3.387) 9.031 2.972 ( -5.250 0.105 7.141) 8.864 3.051 ( -2.710 -2.758 -4.487) 5.923 3.216 ( -1.587 0.556 -0.985) 1.949 3.304 ( -7.095 -9.840 2.631) 12.414 3.509 ( -1.390 2.256 5.273) 5.901 3.567 ( -1.645 4.152 4.496) 6.337 3.667 ( 1.063 -0.557 0.567) 1.327 3.799 ( 2.831 2.242 8.075) 8.846 3.931 ( 0.026 0.437 8.458) 8.470 4.132 ( -3.639 0.752 5.227) 6.413 4.353 ( 3.443 2.495 5.037) 6.592 4.447 ( 2.301 -0.076 -3.278) 4.006 4.550 ( 0.132 2.233 -4.567) 5.086 4.951 ( 0.800 1.550 -13.598) 13.710 5.379 ( -1.458 3.824 12.648) 13.294 5.983 ( -0.052 -1.162 -3.035) 3.250 6.127 ( 0.405 0.868 -7.541) 7.602 7.712 ( -1.585 1.045 18.214) 18.312 7.989 ( -2.112 0.626 24.391) 24.490 9.261 ( 1.257 -0.499 -0.809) 1.576 9.404 ( 0.703 -2.954 48.692) 48.786 10.112 ( -0.009 0.111 -2.370) 2.373 10.343 ( 0.959 0.399 -14.181) 14.219 11.212 ( 0.448 -0.652 4.580) 4.648 11.546 ( -0.038 -2.583 -18.153) 18.336 13.943 ( 5.152 -6.470 -3.331) 8.916 14.141 ( -4.633 2.325 -12.071) 13.137 ======================= Grid point 132 (67/116) ======================= q-point: (-0.43 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -11.042 -0.000 10.440) 15.196 1.050 ( -11.275 -0.000 14.524) 18.387 1.680 ( -3.745 -0.000 9.718) 10.415 1.694 ( -8.193 -0.000 7.565) 11.151 2.045 ( -0.030 -0.000 -1.164) 1.164 2.376 ( 8.860 0.000 0.311) 8.866 2.457 ( 4.116 0.000 9.095) 9.983 2.614 ( 6.535 0.000 11.033) 12.823 2.678 ( -3.773 -0.000 1.104) 3.932 2.814 ( 4.748 0.000 -12.062) 12.963 2.929 ( 1.334 0.000 -10.619) 10.702 3.102 ( -4.869 -0.000 -2.184) 5.336 3.285 ( -0.349 -0.000 -6.881) 6.890 3.368 ( 1.862 0.000 -5.576) 5.879 3.458 ( 0.150 0.000 -0.759) 0.773 3.588 ( 1.681 0.000 -3.210) 3.624 3.892 ( -3.790 -0.000 14.592) 15.076 4.186 ( -0.213 -0.000 5.432) 5.436 4.263 ( -3.336 -0.000 5.155) 6.141 4.422 ( 5.022 0.000 12.766) 13.718 4.428 ( 1.231 0.000 -3.587) 3.792 4.655 ( 0.840 0.000 -5.789) 5.850 5.013 ( 1.507 0.000 -12.212) 12.305 5.717 ( -4.421 -0.000 11.679) 12.488 5.901 ( 0.539 0.000 -3.503) 3.544 6.134 ( 0.980 0.000 -4.750) 4.850 7.787 ( -5.960 -0.000 18.751) 19.675 8.038 ( -3.233 -0.000 23.900) 24.118 9.195 ( 16.903 0.000 61.672) 63.947 9.262 ( -0.057 -0.000 -7.355) 7.355 10.137 ( -0.205 -0.000 -4.724) 4.729 10.354 ( 1.044 0.000 -14.486) 14.524 11.170 ( 1.513 0.000 3.638) 3.941 11.551 ( -3.040 -0.000 -23.779) 23.972 13.575 ( 1.724 0.000 4.933) 5.225 14.217 ( -3.391 -0.000 -10.333) 10.875 ======================= Grid point 133 (68/116) ======================= q-point: (-0.29 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -12.621 8.341 8.512) 17.359 0.917 ( -0.021 1.057 5.298) 5.403 1.569 ( -9.236 -2.113 9.165) 13.182 1.774 ( -4.274 -11.082 4.384) 12.660 1.960 ( 4.219 7.702 4.729) 9.974 2.428 ( 8.800 4.961 5.113) 11.322 2.535 ( -0.053 -0.103 1.044) 1.051 2.667 ( -2.942 -2.768 6.860) 7.961 2.782 ( -0.572 -6.578 1.722) 6.824 2.834 ( 7.945 -1.337 -0.183) 8.058 2.965 ( 1.828 -2.083 -10.348) 10.713 3.027 ( -2.479 2.195 -2.969) 4.447 3.265 ( 1.162 1.523 -2.511) 3.158 3.423 ( -1.668 -4.071 -2.968) 5.307 3.495 ( 0.369 -4.418 -1.428) 4.658 3.607 ( 0.211 -0.563 -3.586) 3.636 3.892 ( -1.396 -2.287 13.463) 13.727 4.096 ( -3.283 7.240 5.666) 9.762 4.232 ( -2.205 0.855 7.331) 7.703 4.423 ( 1.836 2.093 0.480) 2.825 4.490 ( 4.223 0.748 4.089) 5.926 4.625 ( 0.104 2.711 -6.244) 6.808 5.012 ( 1.297 1.120 -12.319) 12.437 5.600 ( -4.825 6.461 11.329) 13.906 5.926 ( 0.342 -1.917 -3.038) 3.609 6.144 ( 0.819 -0.083 -5.803) 5.861 7.726 ( -5.662 -0.008 18.902) 19.732 8.011 ( -3.582 0.426 23.931) 24.201 9.259 ( 0.622 -0.091 -7.343) 7.370 9.472 ( 22.746 4.370 57.860) 62.324 10.127 ( -0.156 0.439 -3.895) 3.923 10.354 ( 0.915 0.101 -14.411) 14.440 11.197 ( 1.918 -0.232 4.252) 4.670 11.498 ( -2.754 -0.480 -23.068) 23.237 13.664 ( 2.620 -6.899 3.184) 8.037 14.163 ( -4.470 -0.245 -10.461) 11.379 ======================= Grid point 134 (69/116) ======================= q-point: (-0.14 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -9.729 3.951 -0.569) 10.516 0.972 ( 5.473 -1.856 -7.700) 9.628 1.536 ( -11.372 -7.714 7.564) 15.686 1.878 ( 0.156 -0.491 4.417) 4.447 1.969 ( 7.549 -0.329 3.708) 8.417 2.374 ( 2.930 8.082 -0.248) 8.600 2.536 ( 3.275 3.032 0.739) 4.524 2.690 ( -4.642 -4.247 6.283) 8.892 2.867 ( 0.831 -7.320 6.600) 9.891 2.880 ( -5.778 2.862 1.793) 6.692 3.014 ( 1.975 -1.650 -7.356) 7.793 3.072 ( 5.571 -6.612 3.891) 9.481 3.249 ( 0.394 2.410 -2.658) 3.610 3.473 ( -0.298 -3.344 0.636) 3.417 3.578 ( -0.433 -1.938 2.411) 3.124 3.608 ( -2.104 -3.274 -1.485) 4.166 3.926 ( -1.260 -1.478 9.480) 9.676 3.934 ( -1.069 7.052 7.345) 10.238 4.155 ( -2.484 5.167 6.120) 8.385 4.407 ( 0.869 1.361 4.966) 5.222 4.511 ( 3.211 2.098 -1.791) 4.233 4.580 ( -0.145 1.914 -6.648) 6.919 4.985 ( 0.788 2.183 -12.693) 12.904 5.444 ( -3.636 5.774 12.102) 13.893 5.959 ( 0.518 -1.558 -3.179) 3.578 6.141 ( 0.448 0.696 -7.176) 7.223 7.689 ( -4.129 -0.961 18.360) 18.843 7.983 ( -3.076 0.098 24.135) 24.331 9.267 ( 0.915 -0.380 -7.886) 7.948 9.622 ( 15.594 11.818 53.819) 57.265 10.115 ( 0.061 0.476 -2.481) 2.527 10.349 ( 0.899 0.261 -14.259) 14.289 11.224 ( 1.349 0.174 4.741) 4.932 11.480 ( -0.895 -2.505 -19.342) 19.524 13.864 ( 4.891 -9.747 -2.356) 11.157 14.096 ( -4.757 0.565 -10.325) 11.383 ======================= Grid point 140 (70/116) ======================= q-point: (-0.29 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 2.992 0.000 -0.715) 3.076 0.937 ( 1.258 0.000 15.853) 15.903 1.462 ( -16.599 -0.000 2.445) 16.778 1.499 ( -6.352 -0.000 12.356) 13.893 2.065 ( 0.473 0.000 10.563) 10.573 2.525 ( -0.637 -0.000 -2.309) 2.395 2.568 ( 2.536 0.000 14.197) 14.422 2.637 ( 3.242 0.000 3.115) 4.496 2.767 ( 5.909 0.000 7.013) 9.171 2.915 ( 4.409 0.000 -7.738) 8.906 2.959 ( 2.547 0.000 -9.237) 9.582 3.011 ( -1.502 -0.000 -1.078) 1.848 3.322 ( 4.413 0.000 -2.408) 5.027 3.367 ( -0.989 -0.000 -3.908) 4.032 3.448 ( -0.268 -0.000 -2.751) 2.764 3.600 ( -1.151 -0.000 -3.429) 3.617 3.863 ( -0.924 -0.000 14.929) 14.958 4.162 ( -5.201 -0.000 8.947) 10.348 4.169 ( -1.262 -0.000 1.184) 1.730 4.466 ( 1.807 0.000 -1.493) 2.344 4.539 ( 1.552 0.000 4.921) 5.160 4.640 ( -0.817 -0.000 -6.934) 6.982 5.028 ( 1.238 0.000 -11.792) 11.857 5.604 ( -5.531 -0.000 10.821) 12.153 5.909 ( 0.767 0.000 -4.998) 5.057 6.148 ( 0.791 0.000 -5.106) 5.167 7.669 ( -5.545 -0.000 19.101) 19.890 7.986 ( -3.911 -0.000 23.896) 24.214 9.259 ( 0.851 0.000 -7.866) 7.911 9.928 ( 31.265 0.000 44.648) 54.507 10.133 ( 2.344 0.000 -0.935) 2.524 10.353 ( 0.800 0.000 -14.378) 14.400 11.226 ( 2.227 0.000 4.873) 5.357 11.438 ( -2.902 -0.000 -22.496) 22.682 13.618 ( 0.892 0.000 4.994) 5.073 14.097 ( -4.458 -0.000 -9.720) 10.694 ======================= Grid point 141 (71/116) ======================= q-point: (-0.14 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -5.979 18.535 6.780) 20.622 1.078 ( 10.187 0.756 -10.001) 14.296 1.276 ( -14.579 -4.712 13.037) 20.117 1.681 ( -1.114 -17.691 9.417) 20.072 2.077 ( 1.946 0.081 13.179) 13.322 2.463 ( -4.692 4.251 6.285) 8.921 2.591 ( 2.975 1.282 1.060) 3.409 2.631 ( -1.881 -0.332 11.626) 11.782 2.797 ( 2.940 4.871 -1.422) 5.864 2.965 ( 1.580 3.143 -5.560) 6.580 3.013 ( 3.503 -1.614 -6.309) 7.394 3.060 ( 5.568 -6.197 2.964) 8.843 3.319 ( 2.394 2.538 -1.591) 3.835 3.418 ( 2.976 -3.237 -1.103) 4.533 3.491 ( -0.514 -4.338 -1.147) 4.516 3.573 ( -1.968 -0.290 -0.239) 2.003 3.872 ( -3.453 -0.954 11.334) 11.887 4.027 ( -2.316 5.668 7.086) 9.365 4.183 ( -2.360 0.046 2.495) 3.435 4.450 ( -0.146 2.632 0.789) 2.751 4.543 ( -1.261 -0.201 -0.685) 1.449 4.609 ( 0.041 1.873 -6.058) 6.341 5.018 ( 0.845 1.554 -11.613) 11.747 5.501 ( -4.166 5.060 11.409) 13.158 5.935 ( 0.959 -1.906 -5.509) 5.908 6.150 ( 0.497 0.373 -5.446) 5.481 7.631 ( -4.334 -0.964 18.516) 19.041 7.961 ( -3.380 -0.174 24.047) 24.284 9.267 ( 1.125 -0.166 -8.084) 8.163 10.082 ( 3.516 3.169 4.106) 6.266 10.245 ( 22.776 15.286 27.777) 39.038 10.350 ( 0.684 0.058 -14.286) 14.303 11.252 ( 1.576 0.418 4.944) 5.205 11.419 ( 0.818 -2.015 -15.367) 15.520 13.729 ( 2.314 -10.239 0.569) 10.513 14.040 ( -3.590 0.031 -8.943) 9.637 ======================= Grid point 148 (72/116) ======================= q-point: (-0.14 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -23.558 -0.000 -3.630) 23.836 0.978 ( -0.604 -0.000 6.659) 6.686 1.220 ( 9.827 0.000 25.143) 26.995 1.517 ( 7.192 0.000 1.396) 7.327 2.077 ( -1.659 -0.000 18.291) 18.366 2.468 ( -2.412 -0.000 3.886) 4.574 2.529 ( -6.800 -0.000 16.798) 18.123 2.732 ( 4.332 0.000 -2.820) 5.169 2.950 ( 6.216 0.000 -5.255) 8.140 3.002 ( 3.098 0.000 -2.173) 3.784 3.020 ( 2.773 0.000 -4.975) 5.696 3.033 ( 2.279 0.000 1.415) 2.683 3.311 ( -3.271 -0.000 -3.788) 5.005 3.440 ( 3.722 0.000 0.625) 3.774 3.514 ( -4.885 -0.000 2.510) 5.492 3.525 ( 9.092 0.000 -1.816) 9.272 3.835 ( -4.511 -0.000 14.359) 15.051 4.051 ( -5.311 -0.000 10.033) 11.352 4.149 ( 0.199 0.000 -6.105) 6.108 4.482 ( -0.652 -0.000 -2.062) 2.162 4.485 ( -4.470 -0.000 -2.669) 5.206 4.616 ( -1.078 -0.000 -3.266) 3.439 5.033 ( 0.644 0.000 -10.882) 10.901 5.518 ( -2.570 -0.000 11.480) 11.764 5.919 ( 0.733 0.000 -8.225) 8.257 6.157 ( 0.608 0.000 -3.850) 3.898 7.591 ( -3.207 -0.000 18.092) 18.374 7.940 ( -2.820 -0.000 24.192) 24.356 9.275 ( 1.425 0.000 -8.190) 8.313 10.099 ( -0.126 -0.000 -1.944) 1.948 10.344 ( 0.383 0.000 -14.304) 14.309 10.713 ( 13.398 0.000 -5.403) 14.447 11.279 ( 1.121 0.000 5.918) 6.024 11.479 ( 15.437 0.000 0.285) 15.440 13.630 ( -0.595 -0.000 4.137) 4.180 14.000 ( -1.685 -0.000 -7.872) 8.051 ======================= Grid point 149 (73/116) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.102 -0.000 10.980) 10.981 1.068 ( 4.821 0.000 -6.791) 8.328 1.725 ( 1.836 0.000 9.279) 9.459 1.856 ( 6.736 0.000 10.110) 12.149 2.436 ( -0.250 -0.000 16.142) 16.144 2.583 ( 1.269 0.000 7.051) 7.164 2.648 ( -5.210 -0.000 10.541) 11.758 2.793 ( 3.900 0.000 -3.228) 5.063 2.844 ( -0.007 -0.000 -5.610) 5.610 2.898 ( -8.132 -0.000 -6.729) 10.555 2.936 ( -0.883 -0.000 -5.210) 5.284 3.038 ( 3.747 0.000 -3.480) 5.114 3.340 ( 3.715 0.000 4.894) 6.145 3.476 ( -2.876 -0.000 -1.775) 3.380 3.533 ( -1.015 -0.000 5.234) 5.332 3.715 ( -8.163 -0.000 -3.001) 8.697 3.830 ( 3.401 0.000 2.165) 4.032 4.003 ( 3.127 0.000 -7.751) 8.358 4.217 ( 2.454 0.000 6.289) 6.751 4.325 ( -5.021 -0.000 -4.631) 6.831 4.490 ( -4.168 -0.000 17.406) 17.898 4.652 ( 2.251 0.000 10.111) 10.359 4.843 ( -0.293 -0.000 -7.814) 7.820 5.604 ( 0.021 0.000 -20.746) 20.746 5.755 ( 1.294 0.000 11.467) 11.540 6.099 ( 0.008 0.000 -5.068) 5.068 7.922 ( -0.131 -0.000 17.185) 17.186 8.305 ( 0.317 0.000 8.160) 8.166 9.256 ( 0.386 0.000 8.792) 8.800 10.056 ( 0.123 0.000 -2.090) 2.093 10.111 ( 0.547 0.000 -7.638) 7.658 10.180 ( -5.560 -0.000 -24.493) 25.116 11.411 ( -1.266 -0.000 6.713) 6.831 11.763 ( 5.106 0.000 -11.328) 12.426 13.673 ( -2.818 -0.000 4.114) 4.987 13.880 ( 3.647 0.000 -6.411) 7.376 ======================= Grid point 150 (74/116) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 14.947 6.358 3.242) 16.563 1.110 ( 6.749 2.281 -8.495) 11.087 1.626 ( 2.201 8.550 11.500) 14.499 2.035 ( 2.174 -4.856 0.572) 5.351 2.370 ( -10.278 5.988 7.405) 14.011 2.507 ( 0.016 9.528 7.456) 12.099 2.559 ( 2.164 5.643 8.656) 10.557 2.739 ( -5.899 -4.308 3.429) 8.069 2.840 ( 0.736 -3.398 0.426) 3.503 2.914 ( 3.656 2.277 -4.505) 6.233 3.014 ( -2.519 -5.161 -6.063) 8.351 3.113 ( 3.335 -8.184 -3.934) 9.674 3.379 ( -2.197 -1.595 5.669) 6.285 3.450 ( -11.558 1.956 2.825) 12.058 3.533 ( -1.819 -8.409 -1.608) 8.753 3.582 ( -7.042 -3.543 0.653) 7.910 3.932 ( 7.470 1.846 2.112) 7.980 4.062 ( 6.962 1.221 -2.353) 7.450 4.170 ( 1.511 3.039 2.405) 4.160 4.310 ( -0.020 0.790 -4.649) 4.715 4.477 ( -3.628 -1.789 12.606) 13.239 4.679 ( 1.479 1.055 16.014) 16.117 4.814 ( -0.180 1.754 -6.787) 7.013 5.610 ( 0.682 -1.779 -16.978) 17.085 5.760 ( 1.911 2.510 8.454) 9.023 6.078 ( -0.356 1.540 -5.879) 6.088 7.950 ( 1.189 -0.748 16.549) 16.609 8.319 ( 0.668 -0.122 7.515) 7.546 9.267 ( 0.421 0.204 9.530) 9.541 10.031 ( -4.346 1.002 -4.122) 6.073 10.089 ( -1.291 1.118 -13.593) 13.700 10.119 ( 0.083 -0.232 -9.694) 9.698 11.378 ( -2.486 1.420 6.029) 6.675 11.709 ( -0.682 7.243 -10.718) 12.954 13.693 ( -2.903 -5.471 1.023) 6.277 13.930 ( 4.446 -0.378 -6.048) 7.516 ======================= Grid point 151 (75/116) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 17.879 3.251 -10.108) 20.794 1.090 ( 7.384 10.131 -12.806) 17.921 1.585 ( 0.484 -1.915 13.827) 13.967 2.028 ( -0.502 4.749 0.203) 4.780 2.089 ( -9.023 9.878 1.648) 13.479 2.331 ( -2.464 8.299 7.069) 11.177 2.480 ( -2.033 3.137 4.683) 5.992 2.792 ( -3.789 -4.129 -2.290) 6.054 2.881 ( 1.173 -2.456 -3.094) 4.121 2.986 ( 4.085 1.428 -2.742) 5.123 3.051 ( -3.218 -5.840 4.809) 8.221 3.238 ( -9.877 -1.129 5.548) 11.384 3.318 ( 0.874 -8.402 -3.319) 9.076 3.415 ( -4.503 -4.476 4.529) 7.799 3.592 ( -2.186 -3.886 3.032) 5.391 3.681 ( 2.229 -5.938 0.920) 6.409 3.932 ( 2.684 2.425 2.941) 4.662 4.121 ( 4.971 1.136 3.694) 6.297 4.212 ( 3.307 -2.157 -1.959) 4.408 4.251 ( 1.029 5.953 -3.268) 6.868 4.468 ( -1.925 -0.137 5.662) 5.982 4.662 ( -0.446 2.632 8.558) 8.965 4.800 ( 0.768 -0.066 6.104) 6.152 5.634 ( 0.390 -0.374 -2.045) 2.115 5.746 ( 2.322 1.637 -4.463) 5.291 6.035 ( -0.381 1.975 -6.543) 6.845 7.995 ( 1.426 -0.748 15.139) 15.225 8.334 ( 0.442 0.041 6.836) 6.851 9.272 ( 0.077 0.558 10.387) 10.403 9.935 ( -5.725 0.771 -3.421) 6.713 10.066 ( 0.157 0.702 -6.303) 6.344 10.120 ( 0.768 0.058 -8.011) 8.048 11.327 ( -2.178 1.226 4.480) 5.130 11.537 ( -2.505 8.085 -7.367) 11.222 13.762 ( -3.137 -6.256 -3.000) 7.614 13.982 ( 4.248 0.264 -5.515) 6.966 ======================= Grid point 152 (76/116) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.390 13.494 -7.650) 16.121 0.994 ( 3.661 8.367 -8.742) 12.642 1.690 ( 0.024 -6.855 4.222) 8.051 1.855 ( -4.332 7.326 -5.293) 10.022 1.988 ( 2.511 -1.347 6.765) 7.341 2.227 ( 2.394 3.111 6.936) 7.969 2.435 ( -1.910 -0.554 1.728) 2.635 2.779 ( -4.295 -1.733 -5.856) 7.466 2.910 ( -11.925 0.659 1.677) 12.061 2.972 ( 5.249 -2.479 -2.050) 6.156 3.056 ( 2.944 -0.337 1.375) 3.267 3.181 ( -3.690 3.224 3.407) 5.968 3.457 ( -0.240 -5.782 -0.233) 5.792 3.482 ( -0.106 -3.636 3.748) 5.222 3.633 ( 0.561 -1.792 6.908) 7.158 3.773 ( 2.169 -0.669 3.266) 3.977 3.948 ( 1.645 0.253 1.132) 2.013 4.123 ( -2.947 0.925 0.439) 3.120 4.162 ( 2.360 4.566 6.430) 8.232 4.291 ( 2.590 -3.099 -3.591) 5.405 4.448 ( -1.738 -0.037 1.086) 2.050 4.630 ( 0.757 0.749 0.578) 1.212 4.820 ( -0.237 -0.210 14.672) 14.675 5.622 ( -0.675 1.413 11.367) 11.474 5.760 ( 1.973 -0.569 -16.672) 16.798 6.002 ( 0.125 0.761 -6.451) 6.497 8.021 ( -0.040 0.343 13.949) 13.953 8.337 ( -0.223 0.397 6.645) 6.661 9.267 ( -0.397 0.808 10.572) 10.611 9.901 ( -2.352 -3.322 2.232) 4.642 10.051 ( 0.104 0.587 -5.597) 5.629 10.123 ( 0.901 0.082 -7.856) 7.908 11.296 ( -1.434 0.360 2.637) 3.024 11.395 ( -0.333 4.996 -4.740) 6.895 13.815 ( -2.807 -4.414 -5.048) 7.269 14.005 ( 3.287 2.146 -4.851) 6.240 ======================= Grid point 153 (77/116) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -3.788 7.242 3.536) 8.905 0.852 ( -1.677 5.710 -7.192) 9.335 1.653 ( -5.851 4.034 4.085) 8.197 1.849 ( 2.291 -4.934 -2.650) 6.051 2.129 ( 7.231 -5.299 3.398) 9.588 2.292 ( 5.335 -2.936 2.561) 6.606 2.473 ( 1.346 -4.935 -0.468) 5.136 2.749 ( -2.348 0.285 -4.306) 4.913 2.771 ( -12.763 -2.768 5.146) 14.037 2.988 ( 0.920 5.124 -3.177) 6.099 3.130 ( 3.104 -0.233 0.315) 3.129 3.174 ( 7.099 -3.331 3.870) 8.745 3.403 ( 1.367 9.116 3.696) 9.931 3.503 ( -0.799 2.529 -0.317) 2.671 3.673 ( 0.783 0.653 6.847) 6.922 3.749 ( -0.413 4.320 3.707) 5.707 3.948 ( 0.303 0.686 2.084) 2.215 4.080 ( -4.791 -2.390 -0.226) 5.359 4.149 ( 0.101 0.504 7.945) 7.961 4.376 ( 0.995 -3.838 -6.154) 7.321 4.439 ( -3.199 -3.015 0.361) 4.411 4.659 ( 1.777 -1.753 1.195) 2.768 4.811 ( -1.549 1.403 13.211) 13.375 5.607 ( -1.663 -0.501 12.675) 12.794 5.767 ( 0.965 0.398 -18.013) 18.043 6.007 ( 0.739 -1.229 -5.721) 5.898 8.003 ( -1.913 1.481 14.452) 14.653 8.326 ( -0.828 0.651 7.102) 7.179 9.254 ( -0.636 0.756 9.975) 10.024 9.995 ( 0.738 -6.868 0.922) 6.969 10.048 ( 1.061 -1.120 -7.736) 7.888 10.125 ( 0.668 0.030 -7.907) 7.935 11.278 ( 0.005 0.079 0.822) 0.826 11.367 ( 2.828 0.325 0.019) 2.846 13.838 ( -1.608 -2.031 -5.779) 6.333 13.975 ( 1.805 4.645 -3.882) 6.317 ======================= Grid point 154 (78/116) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -9.646 -7.623 12.602) 17.606 0.831 ( 2.629 -3.843 -11.978) 12.851 1.547 ( -3.522 1.913 14.325) 14.876 1.946 ( 2.975 -1.752 -1.569) 3.793 2.316 ( 4.458 -6.869 7.877) 11.363 2.397 ( 3.120 -2.908 -1.568) 4.544 2.608 ( 3.643 -4.085 0.463) 5.493 2.688 ( -10.201 -3.157 5.216) 11.884 2.741 ( 1.503 -3.032 -4.005) 5.244 2.943 ( 2.463 1.997 -4.357) 5.389 3.057 ( -0.791 9.898 6.721) 11.990 3.312 ( 7.297 4.416 2.308) 8.836 3.335 ( 1.114 -1.241 -1.824) 2.471 3.417 ( 3.715 5.515 1.531) 6.824 3.631 ( 1.347 4.197 1.761) 4.747 3.670 ( 2.741 6.272 2.235) 7.200 3.928 ( -4.796 -1.513 6.196) 7.980 4.083 ( -5.092 -4.549 0.874) 6.884 4.135 ( -2.213 0.717 1.165) 2.602 4.393 ( -3.324 -1.750 -6.632) 7.622 4.504 ( -1.389 -6.060 2.056) 6.549 4.689 ( -0.140 3.007 18.061) 18.310 4.785 ( -0.747 -1.719 -4.852) 5.201 5.623 ( -1.169 -2.046 9.546) 9.832 5.740 ( -0.177 1.380 -15.820) 15.881 6.045 ( 0.853 -2.227 -4.914) 5.462 7.960 ( -2.407 1.551 15.959) 16.214 8.310 ( -0.867 0.592 7.833) 7.903 9.245 ( -0.422 0.406 9.193) 9.212 10.038 ( 0.467 -0.481 -3.099) 3.170 10.118 ( 0.505 -0.022 -8.195) 8.211 10.173 ( 0.402 -7.623 -15.716) 17.472 11.321 ( 2.262 -2.871 4.026) 5.438 11.437 ( 5.938 -2.693 1.140) 6.619 13.840 ( -0.014 0.342 -5.364) 5.375 13.887 ( 0.076 5.956 -2.561) 6.484 ======================= Grid point 155 (79/116) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -10.274 -12.125 11.747) 19.762 0.970 ( 5.823 -4.799 -11.059) 13.388 1.563 ( 0.725 -5.549 17.606) 18.474 1.937 ( 4.502 8.600 4.641) 10.760 2.424 ( 4.061 1.853 10.763) 11.652 2.496 ( -1.272 -7.738 5.805) 9.757 2.661 ( -9.896 -7.342 3.857) 12.912 2.705 ( 5.597 -1.847 1.280) 6.031 2.846 ( 0.920 4.415 -2.706) 5.259 2.869 ( 1.000 -4.781 -0.627) 4.925 3.003 ( 3.164 0.884 -4.272) 5.390 3.163 ( -5.338 10.812 -6.314) 13.611 3.313 ( 4.447 3.386 5.513) 7.851 3.499 ( 4.620 -1.236 1.661) 5.063 3.567 ( 1.879 7.481 -0.868) 7.762 3.651 ( 8.006 1.383 -1.075) 8.195 3.903 ( -8.151 -3.105 4.126) 9.648 4.043 ( -5.399 1.906 -2.067) 6.087 4.140 ( -1.242 -5.068 2.056) 5.609 4.375 ( -3.424 -1.442 -5.355) 6.517 4.558 ( -4.644 -0.399 11.496) 12.404 4.620 ( 1.227 2.188 14.055) 14.277 4.827 ( 0.363 -2.468 -8.440) 8.801 5.634 ( -0.367 0.577 -12.197) 12.216 5.723 ( 0.012 -1.055 4.244) 4.374 6.085 ( 0.504 -1.617 -4.663) 4.961 7.926 ( -1.573 0.888 16.988) 17.084 8.301 ( -0.362 0.314 8.298) 8.312 9.246 ( 0.036 0.065 8.692) 8.693 10.050 ( 0.623 -0.337 -3.062) 3.143 10.113 ( 0.332 0.164 -7.982) 7.990 10.234 ( -3.649 -3.388 -24.187) 24.694 11.392 ( 0.618 -2.031 6.077) 6.437 11.615 ( 9.159 -5.771 -3.986) 11.536 13.754 ( -2.002 5.500 1.941) 6.166 13.854 ( 2.062 0.470 -6.452) 6.790 ======================= Grid point 157 (80/116) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 20.335 0.000 0.249) 20.337 1.185 ( 6.278 0.000 -1.896) 6.558 1.824 ( 4.834 0.000 2.957) 5.666 1.949 ( -0.449 -0.000 3.981) 4.006 2.340 ( -5.526 -0.000 14.773) 15.773 2.563 ( -8.201 -0.000 -4.547) 9.377 2.621 ( -4.608 -0.000 12.875) 13.675 2.690 ( -2.734 -0.000 3.718) 4.615 2.801 ( -3.608 -0.000 -4.795) 6.000 2.858 ( 0.431 0.000 -0.056) 0.435 2.949 ( 2.724 0.000 0.138) 2.727 3.105 ( 1.777 0.000 -3.398) 3.835 3.324 ( -12.729 -0.000 -4.637) 13.548 3.337 ( -6.550 -0.000 -2.270) 6.932 3.404 ( -0.412 -0.000 2.910) 2.939 3.467 ( -1.771 -0.000 0.716) 1.910 4.070 ( 8.603 0.000 1.500) 8.733 4.159 ( 7.915 0.000 -3.017) 8.471 4.203 ( -3.546 -0.000 -2.633) 4.417 4.314 ( 2.657 0.000 12.476) 12.756 4.440 ( -1.237 -0.000 7.478) 7.580 4.732 ( 2.137 0.000 17.453) 17.584 4.815 ( -0.695 -0.000 -8.015) 8.045 5.594 ( 1.959 0.000 -20.197) 20.292 5.821 ( 2.404 0.000 10.375) 10.650 6.081 ( -0.528 -0.000 -5.767) 5.791 7.980 ( 2.397 0.000 15.986) 16.165 8.335 ( 0.906 0.000 6.718) 6.779 9.284 ( 0.559 0.000 10.392) 10.407 9.959 ( -7.414 -0.000 -7.608) 10.623 10.082 ( -0.021 -0.000 -8.437) 8.437 10.116 ( 0.805 0.000 -7.144) 7.190 11.352 ( -4.064 -0.000 5.426) 6.779 11.722 ( -5.757 -0.000 -14.196) 15.319 13.614 ( -2.172 -0.000 3.762) 4.345 13.977 ( 4.633 0.000 -7.047) 8.433 ======================= Grid point 158 (81/116) ======================= q-point: ( 0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 19.673 6.788 -7.139) 22.001 1.303 ( 10.822 0.937 -4.773) 11.865 1.683 ( 0.005 11.273 8.198) 13.938 2.033 ( -2.416 -3.047 -0.981) 4.011 2.179 ( -5.481 10.451 4.964) 12.803 2.459 ( -5.119 8.078 6.955) 11.825 2.489 ( -7.244 4.637 8.291) 11.946 2.594 ( -6.441 -7.374 -0.080) 9.791 2.818 ( -6.020 -0.973 6.217) 8.709 2.886 ( -5.247 -6.864 -3.928) 9.491 3.046 ( 4.396 -4.508 0.994) 6.374 3.129 ( -0.012 -0.122 -3.390) 3.392 3.249 ( 1.058 -4.037 -4.340) 6.021 3.276 ( -5.339 -2.952 2.163) 6.472 3.488 ( -1.229 -6.049 -1.494) 6.351 3.516 ( -1.406 -9.002 -1.517) 9.237 4.071 ( 3.272 6.931 3.142) 8.283 4.176 ( 1.202 1.028 3.955) 4.260 4.246 ( 5.734 -0.262 -3.008) 6.480 4.363 ( 1.969 0.854 7.393) 7.699 4.426 ( -1.245 0.464 5.732) 5.884 4.736 ( 1.201 3.251 9.235) 9.864 4.808 ( 0.161 -0.338 2.941) 2.965 5.621 ( 2.385 -1.351 -16.442) 16.669 5.830 ( 2.458 3.125 7.671) 8.640 6.058 ( -0.233 1.464 -5.703) 5.892 8.025 ( 2.495 -0.020 14.620) 14.832 8.348 ( 0.614 0.195 5.894) 5.929 9.294 ( 0.247 0.551 11.401) 11.417 9.859 ( -7.143 0.116 -1.963) 7.409 10.072 ( -0.084 0.454 -5.813) 5.831 10.122 ( 0.735 -0.140 -7.528) 7.565 11.302 ( -4.009 0.104 3.872) 5.575 11.583 ( -6.855 4.289 -11.764) 14.275 13.636 ( -1.581 -4.254 2.288) 5.083 14.027 ( 3.935 -0.194 -7.599) 8.559 ======================= Grid point 159 (82/116) ======================= q-point: ( 0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 8.486 15.939 -9.938) 20.611 1.250 ( 5.006 14.128 -6.069) 16.170 1.626 ( 1.976 -1.670 7.783) 8.202 1.937 ( -3.440 6.997 -6.926) 10.429 2.027 ( 2.391 1.352 6.775) 7.311 2.320 ( -0.981 4.193 7.587) 8.724 2.377 ( -3.923 -0.175 4.286) 5.813 2.599 ( -12.019 -5.037 3.673) 13.539 2.760 ( -8.320 -1.787 -2.116) 8.769 2.928 ( 0.752 -5.016 1.490) 5.286 3.138 ( 3.488 1.554 -4.604) 5.982 3.178 ( -1.119 -0.870 4.097) 4.335 3.292 ( 0.115 -10.431 1.455) 10.532 3.419 ( 2.583 -7.631 -1.740) 8.242 3.581 ( 0.760 -5.098 1.169) 5.285 3.673 ( -2.967 -10.746 -2.239) 11.371 4.001 ( 2.505 5.494 3.951) 7.216 4.147 ( -0.617 3.334 4.933) 5.986 4.294 ( 1.687 1.310 -0.529) 2.200 4.315 ( 3.122 6.050 0.545) 6.830 4.410 ( -3.140 -0.369 6.631) 7.347 4.694 ( 1.908 3.374 -1.093) 4.027 4.825 ( -0.254 -0.411 15.145) 15.153 5.649 ( 1.299 0.436 -4.790) 4.982 5.800 ( 2.208 3.173 -2.081) 4.391 6.025 ( 0.499 1.761 -5.596) 5.887 8.051 ( 0.917 1.086 13.324) 13.399 8.350 ( -0.005 0.596 5.658) 5.689 9.289 ( -0.325 1.058 11.664) 11.717 9.807 ( -4.206 -2.755 4.890) 7.013 10.057 ( -0.087 0.558 -5.184) 5.215 10.125 ( 0.603 -0.076 -7.935) 7.958 11.267 ( -2.834 -0.688 2.219) 3.664 11.436 ( -4.145 3.181 -8.558) 10.027 13.705 ( -0.911 -5.003 0.094) 5.087 14.059 ( 2.600 0.574 -7.807) 8.249 ======================= Grid point 160 (83/116) ======================= q-point: (-0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.320 19.826 -1.785) 19.909 1.010 ( -0.993 13.556 -6.402) 15.024 1.661 ( -0.611 1.716 0.778) 1.980 1.840 ( 2.272 1.311 -0.135) 2.627 2.151 ( 7.423 -4.110 0.376) 8.493 2.284 ( -1.557 -2.212 4.604) 5.340 2.413 ( 3.591 -3.265 2.102) 5.289 2.518 ( -14.340 -5.279 8.271) 17.376 2.708 ( -2.501 -0.793 -6.608) 7.110 3.055 ( -3.365 3.997 -3.461) 6.267 3.082 ( 3.755 -8.394 5.096) 10.513 3.237 ( 5.118 -1.419 0.252) 5.317 3.485 ( 2.791 -6.533 1.317) 7.225 3.519 ( 2.350 0.394 0.436) 2.422 3.660 ( -0.151 -2.894 4.184) 5.090 3.761 ( -3.491 -2.506 0.207) 4.302 3.941 ( -2.450 1.770 4.108) 5.100 4.064 ( -0.754 4.612 2.182) 5.157 4.213 ( 0.987 5.187 6.217) 8.157 4.325 ( -0.665 -2.098 -2.594) 3.402 4.370 ( -2.528 0.767 1.230) 2.914 4.681 ( 2.636 0.926 -5.310) 6.000 4.828 ( -1.481 0.854 19.322) 19.397 5.622 ( -0.600 2.566 9.068) 9.443 5.785 ( 1.896 1.207 -14.584) 14.756 6.008 ( 0.991 0.606 -5.697) 5.814 8.030 ( -0.982 2.290 13.692) 13.916 8.338 ( -0.498 0.914 6.205) 6.292 9.272 ( -0.710 1.104 11.010) 11.088 9.870 ( -0.473 -6.979 5.125) 8.672 10.047 ( 0.345 0.151 -5.452) 5.465 10.125 ( 0.324 0.035 -8.170) 8.177 11.258 ( -1.371 -1.178 0.980) 2.056 11.376 ( -0.883 -0.535 -4.649) 4.763 13.777 ( 0.381 -3.695 -1.506) 4.009 14.050 ( 0.965 2.483 -7.722) 8.168 ======================= Grid point 161 (84/116) ======================= q-point: (-0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.151 13.353 1.280) 13.415 0.849 ( 2.499 3.490 -13.170) 13.852 1.594 ( 0.439 4.717 9.328) 10.462 1.903 ( 2.223 -4.036 -0.493) 4.634 2.250 ( -2.178 -5.356 8.145) 9.988 2.355 ( -0.900 -4.108 -0.908) 4.302 2.451 ( -8.413 -5.473 1.337) 10.125 2.596 ( 7.093 -6.394 1.385) 9.650 2.717 ( 1.335 -1.714 -1.582) 2.687 2.975 ( -0.511 0.935 -8.616) 8.682 3.238 ( 2.981 4.067 5.104) 7.175 3.306 ( 2.109 -3.395 3.879) 5.570 3.483 ( 5.059 5.228 4.612) 8.613 3.544 ( 2.857 4.059 1.097) 5.084 3.677 ( -5.611 2.255 3.317) 6.897 3.699 ( 0.373 -0.933 3.769) 3.900 3.903 ( -5.103 -2.436 4.386) 7.156 3.994 ( -0.526 3.625 1.902) 4.127 4.156 ( 0.167 2.737 -1.234) 3.007 4.321 ( -3.868 -0.708 2.027) 4.424 4.392 ( 0.518 -4.916 -3.500) 6.056 4.715 ( 1.934 -1.971 -7.977) 8.441 4.782 ( -2.739 3.388 21.653) 22.087 5.597 ( -0.746 -0.222 13.429) 13.452 5.762 ( 0.914 2.039 -18.588) 18.721 6.019 ( 0.778 -1.170 -5.909) 6.073 7.984 ( -1.317 2.370 15.211) 15.451 8.321 ( -0.434 0.838 7.110) 7.172 9.257 ( -0.554 0.633 10.064) 10.099 9.999 ( -0.466 -6.265 -0.041) 6.282 10.058 ( 0.622 -1.941 -8.828) 9.061 10.119 ( 0.093 0.134 -8.120) 8.122 11.288 ( 0.430 -2.889 2.806) 4.050 11.417 ( 1.201 -4.244 -2.079) 4.876 13.836 ( 1.911 -1.631 -2.885) 3.826 13.981 ( -0.701 5.009 -6.905) 8.559 ======================= Grid point 162 (85/116) ======================= q-point: (-0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 7.677 1.008 2.234) 8.059 0.939 ( 6.960 -6.668 -16.383) 19.008 1.547 ( 0.457 1.724 16.724) 16.818 2.010 ( 2.002 -4.158 -0.806) 4.685 2.338 ( -6.881 -10.138 6.041) 13.661 2.386 ( -5.497 -6.087 4.397) 9.306 2.471 ( 0.095 -2.021 3.535) 4.073 2.751 ( 5.716 -1.818 3.375) 6.882 2.809 ( 3.996 -4.286 -6.805) 8.980 2.978 ( -0.807 2.610 -3.858) 4.727 3.050 ( 0.221 9.836 5.059) 11.063 3.293 ( -0.413 8.002 -3.157) 8.612 3.451 ( -0.845 5.309 7.869) 9.530 3.531 ( 1.598 1.921 5.434) 5.981 3.616 ( -3.473 -3.552 2.060) 5.378 3.679 ( -2.713 3.499 -2.257) 4.969 3.915 ( -0.686 4.095 3.639) 5.521 3.945 ( 2.242 -4.502 5.087) 7.153 4.130 ( 2.569 1.590 -4.103) 5.095 4.299 ( -2.985 -2.108 -4.390) 5.712 4.484 ( -0.469 -4.252 2.286) 4.850 4.693 ( -2.898 3.643 20.327) 20.854 4.773 ( 1.123 -2.673 -5.947) 6.616 5.626 ( 0.004 -1.315 7.532) 7.646 5.720 ( 0.809 1.134 -13.791) 13.861 6.051 ( 0.175 -2.096 -5.981) 6.340 7.951 ( -0.286 1.654 16.303) 16.389 8.313 ( 0.075 0.489 7.688) 7.704 9.255 ( -0.038 0.051 9.430) 9.430 10.041 ( -0.764 -1.210 -0.952) 1.719 10.096 ( -2.391 -2.518 -14.201) 14.619 10.121 ( 0.080 -1.330 -10.495) 10.579 11.351 ( -0.344 -3.072 5.290) 6.127 11.551 ( 2.531 -8.451 -4.002) 9.687 13.836 ( -1.692 5.779 -3.461) 6.945 13.895 ( 2.787 1.071 -5.025) 5.846 ======================= Grid point 165 (86/116) ======================= q-point: ( 0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 11.245 0.000 -0.957) 11.285 1.430 ( 20.574 0.000 -7.705) 21.970 1.854 ( -7.200 -0.000 4.558) 8.522 1.878 ( -3.824 -0.000 4.985) 6.283 2.281 ( -3.662 -0.000 13.020) 13.525 2.378 ( -2.117 -0.000 -6.224) 6.574 2.439 ( -8.516 -0.000 12.896) 15.454 2.561 ( -8.126 -0.000 2.162) 8.409 2.605 ( -7.257 -0.000 1.021) 7.328 2.873 ( -0.552 -0.000 1.780) 1.864 2.965 ( -3.836 -0.000 1.396) 4.082 3.120 ( 0.643 0.000 -5.586) 5.623 3.165 ( -1.209 -0.000 -9.309) 9.387 3.314 ( 4.698 0.000 -0.544) 4.730 3.338 ( -4.935 -0.000 0.526) 4.963 3.462 ( 1.231 0.000 -4.777) 4.933 4.181 ( 1.745 0.000 2.693) 3.209 4.206 ( 2.061 0.000 4.049) 4.544 4.302 ( 3.494 0.000 -1.967) 4.010 4.347 ( -1.177 -0.000 17.096) 17.137 4.476 ( 3.102 0.000 -2.038) 3.712 4.794 ( 0.166 0.000 -8.714) 8.715 4.798 ( 0.344 0.000 22.121) 22.124 5.630 ( 3.355 0.000 -17.896) 18.207 5.897 ( 2.286 0.000 8.278) 8.588 6.066 ( 0.151 0.000 -4.687) 4.689 8.070 ( 2.507 0.000 13.278) 13.513 8.361 ( 0.328 0.000 4.818) 4.829 9.310 ( -0.136 -0.000 12.617) 12.618 9.773 ( -6.590 -0.000 3.461) 7.444 10.069 ( -0.318 -0.000 -5.147) 5.157 10.122 ( 0.556 0.000 -7.622) 7.643 11.252 ( -4.038 -0.000 2.531) 4.766 11.508 ( -8.509 -0.000 -13.020) 15.554 13.594 ( 0.113 0.000 4.959) 4.960 14.060 ( 2.802 0.000 -9.011) 9.437 ======================= Grid point 166 (87/116) ======================= q-point: ( 0.43 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 8.710 11.274 -5.249) 15.183 1.517 ( -2.128 12.771 3.277) 13.355 1.696 ( 6.956 2.545 1.610) 7.580 1.899 ( -7.180 -3.840 -0.897) 8.192 2.129 ( -1.713 6.418 6.016) 8.962 2.273 ( -7.230 2.443 9.403) 12.110 2.427 ( -0.968 1.496 8.472) 8.658 2.457 ( -0.999 1.499 2.111) 2.775 2.630 ( -3.343 -4.633 -4.291) 7.145 2.848 ( -1.245 -3.403 1.346) 3.865 3.067 ( -1.699 -11.958 1.801) 12.211 3.155 ( 1.110 -3.409 -4.667) 5.885 3.160 ( -4.134 1.018 -3.610) 5.582 3.300 ( 0.030 -7.046 -4.592) 8.410 3.460 ( 0.539 -7.877 -1.893) 8.119 3.513 ( 1.614 -3.742 -2.734) 4.907 4.154 ( 3.509 5.924 4.621) 8.292 4.198 ( -0.773 2.334 6.571) 7.016 4.321 ( 0.616 0.825 -1.744) 2.025 4.368 ( -1.286 -1.580 9.833) 10.042 4.464 ( 2.650 5.403 -1.557) 6.216 4.765 ( 1.116 2.519 -3.523) 4.472 4.823 ( -0.814 -0.615 18.791) 18.819 5.664 ( 2.977 -0.539 -14.588) 14.899 5.891 ( 1.274 3.703 5.990) 7.156 6.056 ( 0.677 1.229 -3.992) 4.231 8.094 ( 0.898 1.112 11.929) 12.014 8.362 ( -0.175 0.383 4.407) 4.427 9.308 ( -0.878 0.733 12.987) 13.037 9.726 ( -3.192 -1.592 9.837) 10.464 10.058 ( -0.271 0.291 -4.747) 4.764 10.123 ( 0.370 -0.141 -8.206) 8.215 11.219 ( -2.557 -0.799 1.272) 2.965 11.392 ( -6.434 0.758 -11.705) 13.378 13.636 ( 1.080 -3.145 4.654) 5.720 14.078 ( 1.158 -0.107 -9.776) 9.845 ======================= Grid point 167 (88/116) ======================= q-point: ( 0.57 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -2.011 21.414 2.151) 21.615 1.215 ( -6.586 14.143 2.621) 15.820 1.743 ( 6.825 3.680 -2.083) 8.029 1.867 ( -2.374 -1.245 -3.149) 4.136 2.100 ( -5.619 -3.335 8.935) 11.069 2.235 ( -0.653 -1.083 5.520) 5.663 2.356 ( -0.651 1.614 1.067) 2.041 2.481 ( 6.446 1.001 3.416) 7.363 2.665 ( 0.655 -2.124 -5.834) 6.243 2.958 ( 1.489 -8.833 5.458) 10.490 3.052 ( -5.541 2.525 -4.063) 7.320 3.219 ( 1.335 -5.128 -0.672) 5.342 3.328 ( -0.182 -14.359 2.442) 14.566 3.467 ( 0.883 -9.510 -4.392) 10.512 3.577 ( -2.115 -6.034 -1.321) 6.529 3.599 ( -0.097 -4.792 -1.455) 5.009 4.069 ( 1.845 8.996 5.467) 10.687 4.134 ( -1.121 3.740 5.821) 7.009 4.297 ( -0.520 1.058 2.839) 3.073 4.345 ( -1.172 5.272 -2.855) 6.109 4.385 ( 1.314 3.455 3.761) 5.273 4.736 ( 2.003 2.382 -7.259) 7.898 4.831 ( -1.791 -0.091 22.717) 22.788 5.674 ( 1.075 2.117 -3.824) 4.501 5.834 ( 0.668 3.427 -2.838) 4.500 6.036 ( 0.822 1.627 -4.391) 4.754 8.072 ( -0.936 2.332 12.249) 12.504 8.351 ( -0.537 0.743 4.969) 5.053 9.288 ( -1.366 1.027 12.264) 12.383 9.777 ( 1.191 -4.438 11.173) 12.081 10.049 ( 0.068 0.158 -4.593) 4.596 10.121 ( 0.240 -0.041 -8.686) 8.689 11.219 ( -0.847 -1.433 0.515) 1.743 11.325 ( -3.527 -1.246 -8.851) 9.609 13.723 ( 1.995 -4.179 2.981) 5.508 14.070 ( -0.589 0.610 -10.029) 10.065 ======================= Grid point 168 (89/116) ======================= q-point: (-0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -3.255 17.164 3.080) 17.739 0.967 ( -1.233 8.538 -4.988) 9.965 1.722 ( 4.399 5.737 0.971) 7.294 1.890 ( 0.619 -1.971 -4.441) 4.898 2.093 ( -7.535 -3.406 14.457) 16.655 2.190 ( -7.617 -3.325 6.719) 10.687 2.401 ( 3.279 -0.691 -5.850) 6.742 2.605 ( 9.627 -4.242 0.315) 10.525 2.723 ( 4.348 -1.381 -2.098) 5.021 2.957 ( -3.183 0.857 -8.872) 9.464 3.160 ( 1.004 -9.990 7.905) 12.778 3.306 ( -0.607 -3.128 1.382) 3.473 3.542 ( -2.043 -10.569 2.519) 11.056 3.582 ( 0.415 0.479 2.037) 2.133 3.618 ( -0.090 -4.162 0.000) 4.163 3.645 ( -2.898 -1.264 -1.397) 3.456 3.904 ( -0.853 8.991 7.457) 11.712 4.072 ( 0.843 3.390 4.661) 5.824 4.222 ( -0.640 5.413 -4.604) 7.135 4.300 ( 0.671 0.374 10.352) 10.380 4.361 ( 0.989 0.386 -6.176) 6.267 4.717 ( 0.831 1.439 -10.626) 10.755 4.815 ( -2.193 1.306 25.354) 25.482 5.625 ( -0.439 2.913 9.425) 9.874 5.794 ( 0.752 1.923 -14.497) 14.644 6.018 ( 0.385 0.715 -5.627) 5.685 8.026 ( -1.107 2.414 13.767) 14.021 8.336 ( -0.457 0.739 6.095) 6.156 9.266 ( -1.143 0.635 11.119) 11.196 9.894 ( 1.589 -5.106 5.836) 7.916 10.048 ( 0.316 -0.250 -4.838) 4.855 10.116 ( 0.219 0.115 -8.698) 8.701 11.249 ( 0.645 -2.228 1.231) 2.626 11.336 ( -1.566 -4.093 -5.241) 6.832 13.823 ( 3.004 -3.372 0.506) 4.545 14.021 ( -2.109 2.418 -9.618) 10.139 ======================= Grid point 169 (90/116) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 7.615 3.227 -6.482) 10.508 0.908 ( 3.874 -1.641 -12.314) 13.013 1.656 ( 1.885 6.928 8.766) 11.331 1.941 ( 0.858 -3.825 -2.479) 4.638 2.061 ( -10.449 -6.390 8.219) 14.750 2.230 ( -3.541 -7.033 7.185) 10.660 2.441 ( 0.832 -1.781 0.379) 2.002 2.792 ( 6.074 -1.592 0.471) 6.297 2.809 ( 6.510 -3.300 -6.087) 9.504 2.937 ( -0.680 -1.843 -9.221) 9.428 3.244 ( -5.179 6.925 5.235) 10.109 3.280 ( -4.425 -5.066 5.299) 8.562 3.515 ( -5.212 6.349 0.842) 8.258 3.529 ( -4.348 4.162 6.357) 8.754 3.636 ( 1.046 -0.660 3.818) 4.014 3.670 ( 2.277 0.314 3.160) 3.908 3.880 ( 2.979 -2.256 3.389) 5.045 4.052 ( 4.087 2.192 5.294) 7.039 4.168 ( 0.872 -0.002 -6.535) 6.593 4.265 ( -1.137 2.703 2.739) 4.012 4.423 ( 2.326 -3.674 -2.146) 4.849 4.676 ( -3.300 0.720 -0.612) 3.433 4.793 ( 0.299 1.323 16.308) 16.364 5.611 ( -0.159 -0.768 13.795) 13.817 5.752 ( 0.991 2.313 -18.704) 18.872 6.017 ( -0.147 -1.003 -6.567) 6.645 7.994 ( 0.016 1.666 14.873) 14.966 8.328 ( -0.041 0.383 6.925) 6.936 9.260 ( -0.489 -0.066 10.309) 10.320 9.962 ( -2.385 -2.605 -0.633) 3.588 10.056 ( 0.316 -0.692 -6.153) 6.200 10.114 ( 0.682 -0.178 -8.122) 8.153 11.303 ( 0.221 -2.415 3.816) 4.521 11.417 ( -0.564 -7.258 -4.544) 8.582 13.889 ( 0.135 1.776 -4.147) 4.514 13.937 ( 0.535 1.450 -5.964) 6.161 ======================= Grid point 173 (91/116) ======================= q-point: ( 0.43 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -8.148 -0.000 8.807) 11.997 1.598 ( -9.934 -0.000 10.996) 14.819 1.767 ( 4.294 0.000 1.854) 4.677 1.848 ( 9.333 0.000 -11.023) 14.443 2.076 ( -9.807 -0.000 15.499) 18.341 2.313 ( -4.946 -0.000 -3.189) 5.885 2.472 ( 5.833 0.000 11.068) 12.511 2.504 ( 5.172 0.000 -2.830) 5.896 2.555 ( 3.140 0.000 0.213) 3.148 2.814 ( -3.738 -0.000 2.353) 4.417 2.869 ( -2.753 -0.000 2.716) 3.867 3.133 ( 0.458 0.000 -9.994) 10.004 3.137 ( -0.361 -0.000 -10.098) 10.104 3.188 ( -5.001 -0.000 -4.188) 6.523 3.424 ( 2.877 0.000 0.364) 2.900 3.502 ( 1.865 0.000 -2.748) 3.321 4.206 ( -2.112 -0.000 7.467) 7.760 4.255 ( 2.599 0.000 4.810) 5.467 4.336 ( 0.633 0.000 -3.125) 3.189 4.345 ( -0.505 -0.000 8.471) 8.486 4.544 ( 2.238 0.000 -1.544) 2.719 4.794 ( 0.927 0.000 -9.075) 9.122 4.820 ( -1.591 -0.000 25.505) 25.554 5.684 ( 2.960 0.000 -15.992) 16.263 5.939 ( -0.248 -0.000 6.821) 6.825 6.072 ( 0.602 0.000 -2.670) 2.737 8.117 ( -0.650 -0.000 10.666) 10.686 8.365 ( -0.535 -0.000 3.848) 3.885 9.309 ( -1.748 -0.000 13.384) 13.497 9.707 ( 1.329 0.000 14.299) 14.361 10.053 ( -0.246 -0.000 -4.497) 4.504 10.118 ( 0.350 0.000 -8.639) 8.646 11.191 ( -0.853 -0.000 0.558) 1.019 11.309 ( -5.750 -0.000 -12.459) 13.722 13.633 ( 2.020 0.000 6.716) 7.013 14.071 ( -0.595 -0.000 -10.841) 10.858 ======================= Grid point 174 (92/116) ======================= q-point: (-0.43 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -11.037 9.707 12.940) 19.583 1.413 ( -11.294 12.038 11.003) 19.838 1.783 ( -1.613 0.439 -3.616) 3.984 1.890 ( 3.316 2.277 -3.659) 5.438 1.998 ( -3.316 0.102 13.491) 13.893 2.278 ( 4.117 1.623 1.543) 4.687 2.468 ( 3.893 6.491 -4.803) 8.964 2.575 ( 5.904 -0.108 0.434) 5.921 2.653 ( 5.773 -2.599 1.651) 6.543 2.847 ( 1.760 -6.674 3.311) 7.655 2.977 ( -6.122 -9.769 2.718) 11.845 3.052 ( -3.912 -1.963 -2.141) 4.872 3.154 ( 0.106 -2.928 -8.190) 8.698 3.294 ( 2.197 -10.546 -7.318) 13.023 3.488 ( 0.141 -4.105 -0.657) 4.159 3.539 ( 0.409 -2.437 -2.475) 3.497 4.167 ( -2.193 1.937 8.190) 8.697 4.228 ( 0.897 5.649 4.217) 7.106 4.326 ( 1.081 1.499 2.846) 3.393 4.355 ( -0.411 0.154 -0.334) 0.552 4.513 ( 1.407 5.485 -0.483) 5.683 4.785 ( 1.287 1.484 -9.009) 9.220 4.821 ( -2.308 -0.355 24.933) 25.042 5.703 ( 1.805 0.200 -13.343) 13.466 5.895 ( -1.859 3.527 5.255) 6.596 6.067 ( 0.411 1.125 -2.685) 2.940 8.095 ( -2.302 1.248 11.161) 11.464 8.356 ( -0.839 0.338 4.374) 4.467 9.290 ( -2.177 0.511 12.597) 12.794 9.783 ( 6.666 -1.298 14.143) 15.689 10.047 ( -0.042 0.080 -4.321) 4.322 10.117 ( 0.455 -0.061 -9.019) 9.030 11.199 ( 0.892 -0.777 0.289) 1.218 11.249 ( -3.687 -1.133 -10.636) 11.313 13.691 ( 2.370 -2.921 6.244) 7.289 14.047 ( -2.184 -0.146 -11.148) 11.361 ======================= Grid point 175 (93/116) ======================= q-point: (-0.29 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -11.286 16.857 7.863) 21.757 1.064 ( -7.324 8.462 8.904) 14.301 1.786 ( -2.872 -3.319 -1.714) 4.712 1.851 ( 0.018 2.603 -4.117) 4.871 2.016 ( 1.159 -1.352 14.840) 14.946 2.232 ( 2.883 9.726 2.316) 10.406 2.435 ( 2.375 0.679 -7.693) 8.080 2.671 ( 7.910 -1.840 -3.640) 8.900 2.765 ( 6.310 -1.307 3.547) 7.356 2.924 ( -3.202 0.566 -6.551) 7.314 3.017 ( 1.285 -7.687 6.521) 10.162 3.196 ( -4.549 -9.434 -1.880) 10.641 3.245 ( -2.135 -11.414 3.860) 12.236 3.496 ( -0.674 -8.070 -2.353) 8.433 3.558 ( 1.904 -5.478 0.052) 5.800 3.586 ( -0.804 -3.555 -2.423) 4.377 4.072 ( -1.840 8.642 5.026) 10.165 4.139 ( 0.524 3.395 7.407) 8.164 4.281 ( -2.576 3.832 0.689) 4.669 4.358 ( 4.096 0.744 -0.915) 4.262 4.426 ( 1.500 5.790 0.288) 5.988 4.755 ( 0.133 2.680 -8.686) 9.091 4.815 ( -2.335 -0.203 23.465) 23.581 5.680 ( -0.427 2.921 -0.564) 3.006 5.820 ( -1.105 2.200 -5.549) 6.071 6.040 ( 0.069 1.784 -4.258) 4.617 8.050 ( -2.357 1.376 12.730) 13.019 8.343 ( -0.882 0.390 5.599) 5.681 9.267 ( -1.765 0.368 11.364) 11.507 9.903 ( 7.177 -0.414 8.935) 11.468 10.043 ( 0.028 -0.069 -4.310) 4.311 10.115 ( 0.560 0.115 -9.063) 9.081 11.232 ( 1.291 -1.792 -2.710) 3.496 11.250 ( -0.802 -2.564 -3.258) 4.223 13.793 ( 2.816 -4.375 3.563) 6.306 14.003 ( -3.265 0.496 -10.682) 11.181 ======================= Grid point 176 (94/116) ======================= q-point: (-0.14 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -5.102 4.946 2.788) 7.633 0.924 ( -2.423 0.735 -2.700) 3.702 1.798 ( 1.410 5.318 -2.256) 5.946 1.808 ( -5.112 -5.395 -3.075) 8.043 2.025 ( -0.005 4.600 12.999) 13.789 2.154 ( 3.668 0.608 2.765) 4.633 2.443 ( 1.558 0.816 -1.706) 2.450 2.795 ( 1.203 -3.256 -5.510) 6.512 2.858 ( 7.438 -1.366 0.542) 7.582 2.924 ( 2.774 -0.858 -6.575) 7.188 3.107 ( -5.746 -5.108 6.463) 10.044 3.206 ( -6.289 0.126 0.853) 6.347 3.411 ( -3.487 -9.428 4.944) 11.202 3.550 ( -2.247 -2.220 -0.153) 3.162 3.641 ( 1.136 -1.201 3.157) 3.564 3.704 ( 3.184 -4.036 3.075) 5.990 3.919 ( 1.047 4.756 4.681) 6.754 4.117 ( 1.375 1.500 7.811) 8.071 4.180 ( -2.668 3.016 -2.030) 4.510 4.345 ( 1.633 5.318 -0.170) 5.566 4.419 ( 3.850 -1.048 -2.637) 4.782 4.678 ( -2.446 3.447 -1.755) 4.577 4.815 ( -0.911 -0.102 16.945) 16.970 5.624 ( -1.128 1.794 11.357) 11.553 5.779 ( 0.338 1.310 -16.336) 16.392 6.009 ( -0.079 0.985 -5.891) 5.973 8.020 ( -1.307 0.625 13.781) 13.857 8.334 ( -0.633 0.070 6.611) 6.641 9.257 ( -0.976 -0.215 10.494) 10.542 9.953 ( 2.208 2.208 3.571) 4.743 10.044 ( 0.170 -0.433 -5.300) 5.320 10.116 ( 0.920 -0.033 -8.234) 8.285 11.284 ( 0.448 -1.319 2.310) 2.697 11.303 ( 1.089 -4.725 -4.089) 6.343 13.895 ( 1.210 -1.771 -2.312) 3.154 13.939 ( -1.521 0.208 -7.186) 7.348 ======================= Grid point 181 (95/116) ======================= q-point: (-0.43 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -14.302 -0.000 16.199) 21.609 1.359 ( -10.147 -0.000 15.928) 18.885 1.807 ( -3.316 -0.000 2.883) 4.394 1.813 ( -8.192 -0.000 1.330) 8.299 2.093 ( 7.185 0.000 7.197) 10.169 2.352 ( 7.069 0.000 -2.310) 7.437 2.601 ( 1.841 0.000 -0.811) 2.012 2.616 ( 4.526 0.000 -7.641) 8.880 2.719 ( 8.375 0.000 5.308) 9.915 2.754 ( -1.261 -0.000 5.964) 6.096 2.861 ( 1.391 0.000 4.806) 5.004 3.020 ( -4.319 -0.000 -6.945) 8.179 3.144 ( 3.382 0.000 -6.939) 7.719 3.200 ( 3.104 0.000 -11.001) 11.431 3.445 ( -0.957 -0.000 -0.103) 0.963 3.515 ( -0.678 -0.000 -3.801) 3.861 4.163 ( -1.971 -0.000 10.382) 10.568 4.275 ( -1.494 -0.000 2.662) 3.053 4.343 ( -0.843 -0.000 3.072) 3.185 4.378 ( 3.084 0.000 -0.266) 3.095 4.572 ( 0.350 0.000 -1.113) 1.167 4.804 ( 1.122 0.000 -9.791) 9.855 4.806 ( -2.984 -0.000 23.989) 24.174 5.711 ( 1.242 0.000 -15.626) 15.676 5.895 ( -4.129 -0.000 6.954) 8.088 6.079 ( 0.255 0.000 -1.784) 1.802 8.076 ( -3.752 -0.000 11.840) 12.420 8.350 ( -1.214 -0.000 4.854) 5.003 9.275 ( -2.429 -0.000 11.808) 12.055 9.909 ( 12.659 0.000 10.224) 16.272 10.044 ( 0.111 0.000 -3.940) 3.942 10.116 ( 0.651 0.000 -9.112) 9.135 11.192 ( -2.127 -0.000 -9.482) 9.717 11.216 ( 2.593 0.000 0.958) 2.764 13.696 ( 1.862 0.000 7.536) 7.762 14.002 ( -3.296 -0.000 -11.384) 11.852 ======================= Grid point 182 (96/116) ======================= q-point: (-0.29 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -10.905 4.802 12.168) 17.030 1.108 ( -12.050 14.352 14.134) 23.472 1.717 ( -5.906 -0.795 5.765) 8.291 1.823 ( -1.221 -3.652 0.395) 3.871 2.124 ( 7.047 4.949 10.969) 13.945 2.452 ( 4.899 -1.873 -3.129) 6.108 2.488 ( 3.223 11.910 -3.928) 12.948 2.700 ( 3.911 -1.610 -9.129) 10.061 2.799 ( -2.125 -4.078 6.311) 7.808 2.855 ( 2.914 -4.267 3.843) 6.439 2.963 ( 4.433 -8.076 5.206) 10.582 2.974 ( 0.343 -0.351 -2.122) 2.178 3.186 ( 3.328 -0.814 -5.680) 6.634 3.341 ( 1.635 -8.879 -5.072) 10.355 3.471 ( -0.503 -5.149 -0.663) 5.216 3.514 ( -1.657 -2.239 -4.736) 5.494 4.138 ( -1.598 2.312 9.001) 9.429 4.208 ( -2.426 3.866 5.156) 6.886 4.304 ( -2.764 2.684 0.196) 3.858 4.419 ( 3.868 0.103 -0.234) 3.877 4.534 ( 0.598 4.130 -0.441) 4.196 4.777 ( -3.533 0.932 15.068) 15.505 4.804 ( 0.447 0.371 -2.632) 2.695 5.702 ( -0.223 0.861 -11.403) 11.438 5.826 ( -3.854 1.752 3.820) 5.702 6.068 ( 0.220 1.403 -2.722) 3.070 8.035 ( -3.861 0.223 13.398) 13.945 8.337 ( -1.420 0.074 6.011) 6.177 9.256 ( -1.888 0.057 10.664) 10.830 10.039 ( 1.428 0.115 -6.155) 6.319 10.061 ( 11.439 2.733 4.035) 12.434 10.117 ( 0.714 0.019 -9.134) 9.162 11.191 ( 0.951 -1.541 -5.078) 5.391 11.259 ( 3.392 -0.466 2.008) 3.969 13.753 ( 1.541 -3.493 6.037) 7.143 13.952 ( -3.642 -0.196 -10.795) 11.394 ======================= Grid point 183 (97/116) ======================= q-point: (-0.14 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -11.540 12.796 12.982) 21.574 0.887 ( -6.117 3.230 0.815) 6.966 1.671 ( -6.774 -2.368 6.612) 9.758 1.875 ( 3.095 0.454 -3.877) 4.982 2.147 ( 6.287 4.483 12.700) 14.863 2.313 ( 3.575 8.859 -5.577) 11.062 2.512 ( 4.543 2.972 -2.076) 5.812 2.746 ( -0.013 -1.931 -6.790) 7.059 2.844 ( -2.857 -4.687 3.418) 6.466 2.936 ( 0.759 0.463 -1.318) 1.590 3.018 ( 2.768 -5.171 5.756) 8.218 3.191 ( 4.159 -3.771 2.794) 6.271 3.208 ( -0.262 -4.544 1.137) 4.692 3.454 ( -1.969 -5.322 -2.264) 6.109 3.577 ( 1.417 -6.424 -0.142) 6.580 3.620 ( 1.833 -8.315 1.181) 8.597 4.019 ( -3.111 6.160 4.785) 8.398 4.161 ( -0.291 1.580 8.355) 8.508 4.194 ( -4.268 4.090 -0.868) 5.975 4.437 ( 0.538 2.571 -5.110) 5.745 4.483 ( 3.561 3.335 0.991) 4.978 4.709 ( -3.228 2.745 9.132) 10.068 4.802 ( -0.769 -0.418 4.796) 4.875 5.652 ( -1.914 2.500 5.407) 6.257 5.777 ( -0.996 0.178 -11.515) 11.559 6.036 ( 0.374 2.130 -4.479) 4.974 8.005 ( -3.032 -0.460 14.377) 14.700 8.326 ( -1.265 -0.193 6.997) 7.113 9.248 ( -1.109 -0.277 9.886) 9.951 10.037 ( 0.101 0.265 -3.541) 3.552 10.096 ( 6.202 6.307 -5.525) 10.429 10.120 ( 1.419 0.193 -7.632) 7.765 11.246 ( 2.415 -1.756 -1.111) 3.186 11.313 ( 3.780 -0.498 2.643) 4.640 13.854 ( 1.386 -4.746 1.018) 5.048 13.904 ( -2.679 -0.222 -8.522) 8.936 ======================= Grid point 189 (98/116) ======================= q-point: (-0.29 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -7.190 -0.000 9.340) 11.787 1.160 ( -9.298 -0.000 8.094) 12.328 1.631 ( -5.931 -0.000 13.227) 14.496 1.732 ( -2.816 -0.000 10.468) 10.840 2.260 ( 4.014 0.000 8.217) 9.145 2.483 ( 4.450 0.000 -2.157) 4.945 2.646 ( 4.680 0.000 -5.745) 7.410 2.708 ( -3.000 -0.000 4.015) 5.012 2.775 ( 7.366 0.000 -6.586) 9.881 2.872 ( 2.703 0.000 6.445) 6.989 2.938 ( 3.206 0.000 3.735) 4.922 2.982 ( 2.534 0.000 -1.995) 3.225 3.253 ( 2.047 0.000 -8.318) 8.566 3.288 ( 8.083 0.000 -0.807) 8.123 3.399 ( -1.732 -0.000 -1.551) 2.325 3.465 ( -1.724 -0.000 -8.478) 8.652 4.154 ( -0.769 -0.000 11.505) 11.531 4.200 ( -4.846 -0.000 1.920) 5.212 4.294 ( -3.582 -0.000 1.443) 3.862 4.448 ( 1.677 0.000 -0.300) 1.704 4.569 ( -0.327 -0.000 0.795) 0.860 4.741 ( -5.324 -0.000 18.425) 19.179 4.821 ( 1.649 0.000 -10.004) 10.139 5.694 ( -0.330 -0.000 -16.805) 16.808 5.792 ( -4.509 -0.000 8.660) 9.763 6.084 ( 0.526 0.000 -2.396) 2.453 7.996 ( -4.202 -0.000 14.882) 15.463 8.323 ( -1.677 -0.000 6.970) 7.169 9.244 ( -1.393 -0.000 9.723) 9.823 10.041 ( 0.407 0.000 -4.732) 4.750 10.117 ( 0.571 0.000 -9.036) 9.054 10.244 ( 11.104 0.000 -11.436) 15.940 11.222 ( 6.793 0.000 0.827) 6.844 11.303 ( 3.818 0.000 3.121) 4.931 13.734 ( 0.130 0.000 6.962) 6.963 13.898 ( -3.109 -0.000 -10.191) 10.654 ======================= Grid point 190 (99/116) ======================= q-point: (-0.14 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -10.674 14.869 12.753) 22.308 0.925 ( -2.977 6.461 -3.671) 8.006 1.576 ( -4.929 0.170 16.012) 16.754 1.846 ( 2.039 -8.296 5.640) 10.236 2.299 ( 5.194 1.090 9.536) 10.913 2.503 ( 3.394 9.875 -5.553) 11.827 2.583 ( 0.408 -0.764 5.078) 5.151 2.759 ( 2.680 -0.185 0.527) 2.738 2.778 ( 3.717 3.021 -9.661) 10.783 2.911 ( -4.587 -3.109 9.559) 11.049 2.973 ( 1.569 0.638 -1.105) 2.022 3.123 ( 6.004 -7.897 1.859) 10.093 3.289 ( 4.366 -1.958 -1.567) 5.035 3.356 ( 0.833 0.735 -4.945) 5.068 3.475 ( 2.706 -7.925 -0.484) 8.389 3.517 ( 3.187 -5.774 -3.955) 7.690 4.065 ( -5.624 5.236 5.720) 9.579 4.164 ( -2.784 -0.139 6.580) 7.146 4.211 ( -4.125 3.630 -0.811) 5.554 4.454 ( -1.321 0.612 -4.358) 4.595 4.563 ( 1.734 1.070 3.119) 3.726 4.678 ( -6.328 -0.000 18.739) 19.779 4.819 ( 1.302 1.577 -8.838) 9.071 5.666 ( -1.105 1.100 -7.400) 7.563 5.750 ( -2.292 0.019 -0.101) 2.295 6.074 ( 0.716 1.636 -3.438) 3.874 7.965 ( -3.549 -0.584 15.843) 16.246 8.311 ( -1.438 -0.216 7.759) 7.894 9.240 ( -0.761 -0.153 9.105) 9.138 10.041 ( 0.485 0.236 -4.250) 4.284 10.117 ( 0.484 -0.124 -8.669) 8.684 10.278 ( 4.412 5.243 -18.949) 20.150 11.311 ( 6.883 2.152 3.610) 8.065 11.367 ( 6.651 -0.477 3.506) 7.533 13.778 ( -0.264 -4.540 4.198) 6.189 13.863 ( -1.739 -0.306 -8.710) 8.887 ======================= Grid point 197 (100/116) ======================= q-point: (-0.14 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -15.875 -0.000 4.576) 16.522 0.966 ( 3.156 0.000 -3.914) 5.027 1.657 ( 5.395 0.000 19.219) 19.962 1.703 ( -1.251 -0.000 13.528) 13.586 2.348 ( 3.266 0.000 8.557) 9.159 2.584 ( -0.254 -0.000 7.439) 7.443 2.655 ( 3.932 0.000 -4.769) 6.180 2.779 ( 4.529 0.000 -2.804) 5.327 2.834 ( -6.648 -0.000 8.692) 10.943 2.926 ( 5.486 0.000 -4.891) 7.350 2.978 ( -0.396 -0.000 -2.999) 3.025 3.053 ( -0.537 -0.000 -1.261) 1.371 3.259 ( 0.970 0.000 -0.637) 1.160 3.434 ( 4.756 0.000 -0.592) 4.793 3.472 ( 3.614 0.000 -6.678) 7.593 3.506 ( 9.806 0.000 -0.505) 9.819 4.064 ( -5.525 -0.000 -1.725) 5.788 4.079 ( -8.494 -0.000 6.207) 10.520 4.213 ( -2.110 -0.000 2.070) 2.956 4.432 ( -2.696 -0.000 -2.931) 3.982 4.563 ( -2.161 -0.000 16.575) 16.715 4.629 ( -3.475 -0.000 5.944) 6.885 4.845 ( 1.272 0.000 -8.801) 8.892 5.649 ( -0.778 -0.000 -19.115) 19.131 5.734 ( -1.319 -0.000 10.738) 10.819 6.096 ( 0.717 0.000 -3.589) 3.660 7.933 ( -2.882 -0.000 16.819) 17.064 8.300 ( -1.038 -0.000 8.326) 8.390 9.240 ( -0.262 -0.000 8.604) 8.608 10.047 ( 0.670 0.000 -3.846) 3.904 10.114 ( 0.368 0.000 -8.505) 8.513 10.321 ( -1.220 -0.000 -26.628) 26.656 11.388 ( 2.147 0.000 5.611) 6.008 11.517 ( 14.206 0.000 -0.360) 14.211 13.724 ( -1.773 -0.000 5.518) 5.795 13.843 ( 0.106 0.000 -7.910) 7.911 ======================= Grid point 198 (101/116) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 3.817 0.000 -13.449) 13.980 0.839 ( -3.817 -0.000 13.449) 13.980 1.912 ( 1.557 0.000 -5.317) 5.540 1.912 ( -1.557 -0.000 5.317) 5.540 2.642 ( -4.197 -0.000 -4.436) 6.107 2.642 ( 4.197 0.000 4.436) 6.107 2.727 ( 5.446 0.000 -2.348) 5.931 2.727 ( -5.446 -0.000 2.348) 5.931 2.823 ( 3.479 0.000 -1.730) 3.885 2.823 ( -3.479 -0.000 1.730) 3.885 2.930 ( 4.040 0.000 -7.070) 8.143 2.930 ( -4.040 -0.000 7.070) 8.143 3.425 ( -3.884 -0.000 -3.618) 5.308 3.425 ( 3.884 0.000 3.618) 5.308 3.632 ( -3.851 -0.000 -4.953) 6.274 3.632 ( 3.851 0.000 4.953) 6.274 3.885 ( 0.647 0.000 -4.130) 4.181 3.885 ( -0.647 -0.000 4.130) 4.181 4.259 ( -4.244 -0.000 -2.036) 4.707 4.259 ( 4.244 0.000 2.036) 4.707 4.705 ( 0.962 0.000 -6.924) 6.990 4.705 ( -0.962 -0.000 6.924) 6.990 5.115 ( -0.435 -0.000 -28.827) 28.830 5.115 ( 0.435 0.000 28.827) 28.830 5.958 ( -0.861 -0.000 -9.180) 9.220 5.958 ( 0.861 0.000 9.180) 9.220 8.222 ( 0.578 0.000 -12.643) 12.657 8.222 ( -0.578 -0.000 12.643) 12.657 9.651 ( -0.646 -0.000 -27.293) 27.300 9.651 ( 0.646 0.000 27.293) 27.300 10.039 ( 0.646 0.000 -0.401) 0.761 10.039 ( -0.646 -0.000 0.401) 0.761 11.562 ( 1.786 0.000 -9.113) 9.286 11.562 ( -1.786 -0.000 9.113) 9.286 13.765 ( 3.547 0.000 -5.378) 6.443 13.765 ( -3.547 -0.000 5.378) 6.443 ======================= Grid point 200 (102/116) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 1.762 9.241 8.297) 12.544 0.839 ( 9.728 7.551 -14.681) 19.162 1.881 ( -1.827 2.009 10.254) 10.607 1.892 ( 0.336 2.659 -13.963) 14.218 2.466 ( -7.634 5.956 3.429) 10.272 2.615 ( 0.845 4.910 -3.334) 5.995 2.676 ( -2.398 5.655 7.958) 10.053 2.712 ( 2.265 5.896 -3.507) 7.224 2.823 ( -2.736 -3.293 -7.386) 8.537 2.894 ( -2.866 -0.655 4.285) 5.197 2.996 ( 2.874 -6.974 0.839) 7.589 3.027 ( 6.955 -9.654 0.495) 11.908 3.413 ( -8.014 -4.147 -3.494) 9.676 3.488 ( -8.009 -2.691 2.187) 8.727 3.541 ( -2.389 -5.310 1.842) 6.107 3.610 ( -5.963 -3.000 2.357) 7.079 3.953 ( 6.760 0.209 -0.428) 6.777 4.003 ( 9.616 -2.601 -0.985) 10.010 4.182 ( -1.535 3.720 -1.827) 4.419 4.279 ( 5.061 4.104 3.092) 7.212 4.670 ( -1.538 2.648 7.926) 8.497 4.674 ( -0.343 3.278 -5.529) 6.437 5.133 ( 0.992 -3.628 -23.673) 23.970 5.186 ( 1.739 -3.625 22.607) 22.962 5.921 ( -0.476 2.283 -9.918) 10.189 5.953 ( 0.735 2.527 8.824) 9.208 8.224 ( 0.899 -0.214 -9.299) 9.345 8.233 ( 0.423 -0.400 8.040) 8.061 9.624 ( -0.372 -0.193 -25.447) 25.451 9.678 ( 0.332 0.369 27.900) 27.905 10.030 ( -0.577 0.325 0.554) 0.864 10.046 ( 0.743 0.144 0.035) 0.758 11.500 ( -4.394 3.044 4.924) 7.267 11.530 ( -1.242 2.930 -6.243) 7.008 13.747 ( -2.862 -1.918 4.275) 5.490 13.823 ( 3.509 -1.968 -4.701) 6.188 ======================= Grid point 201 (103/116) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 8.058 7.339 -1.017) 10.946 0.807 ( 10.776 8.168 -14.283) 19.669 1.803 ( -1.073 4.009 -4.395) 6.045 1.842 ( -2.176 1.812 1.266) 3.102 2.268 ( -6.986 7.181 7.836) 12.719 2.502 ( -4.449 6.848 4.104) 9.140 2.517 ( -1.338 4.880 1.147) 5.188 2.667 ( -0.766 0.987 -3.182) 3.418 2.839 ( 5.592 2.350 -5.589) 8.248 2.903 ( 1.007 -1.733 -1.255) 2.365 3.149 ( -4.663 -6.714 0.610) 8.197 3.248 ( 1.575 -6.746 0.688) 6.962 3.336 ( -7.903 -5.585 2.209) 9.926 3.453 ( -5.964 -3.662 -0.706) 7.034 3.659 ( -1.602 -7.127 2.534) 7.732 3.670 ( -0.585 -8.207 -1.453) 8.355 3.982 ( 3.296 3.102 1.688) 4.831 4.121 ( 1.752 3.112 -5.249) 6.349 4.142 ( 6.627 -1.111 0.063) 6.719 4.275 ( 4.604 2.989 4.660) 7.200 4.589 ( -0.488 4.881 -5.711) 7.529 4.603 ( -1.038 3.788 7.873) 8.798 5.198 ( 0.876 -3.758 -12.727) 13.299 5.294 ( 1.739 -4.103 12.628) 13.392 5.864 ( 0.270 2.755 -10.033) 10.407 5.911 ( 0.258 3.576 8.599) 9.316 8.233 ( 0.751 -0.214 -5.104) 5.164 8.255 ( 0.931 -0.541 3.364) 3.532 9.613 ( 0.368 -0.941 -23.371) 23.393 9.686 ( -0.549 1.254 27.002) 27.037 10.012 ( -0.682 0.772 0.281) 1.067 10.052 ( 0.566 0.134 0.223) 0.622 11.386 ( -4.278 3.368 -0.455) 5.463 11.446 ( -2.203 3.309 -1.403) 4.215 13.759 ( -1.880 -2.210 2.368) 3.745 13.897 ( 2.509 -2.309 -2.884) 4.466 ======================= Grid point 202 (104/116) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 4.042 4.248 -4.222) 7.226 0.842 ( 6.134 0.494 -5.747) 8.420 1.743 ( 1.821 2.351 -4.297) 5.226 1.776 ( -4.192 0.924 3.293) 5.410 2.101 ( -3.430 3.674 4.463) 6.722 2.376 ( -2.070 2.580 2.745) 4.298 2.454 ( -0.407 1.452 0.140) 1.515 2.648 ( -1.621 -0.623 -1.314) 2.178 2.885 ( 10.174 3.014 -5.505) 11.954 2.946 ( -3.561 -2.523 1.730) 4.694 3.118 ( -3.525 -2.697 2.326) 5.011 3.218 ( -5.508 3.433 -0.060) 6.490 3.439 ( -0.603 -5.826 -1.008) 5.944 3.500 ( -0.379 -3.376 -0.286) 3.409 3.749 ( -0.768 -4.209 2.036) 4.738 3.792 ( 0.808 -4.130 -1.559) 4.488 3.967 ( 1.086 1.297 0.710) 1.835 4.080 ( 1.388 2.985 -1.766) 3.736 4.209 ( 1.830 -0.640 -0.520) 2.007 4.288 ( 1.805 0.918 2.736) 3.404 4.511 ( -0.090 2.463 -3.619) 4.379 4.542 ( -0.374 2.194 4.148) 4.708 5.247 ( 0.278 -1.550 -3.790) 4.104 5.370 ( 0.703 -1.764 4.007) 4.434 5.828 ( 0.467 1.069 -6.079) 6.190 5.865 ( -0.144 1.918 5.391) 5.724 8.240 ( 0.293 -0.083 -1.661) 1.689 8.274 ( 0.470 -0.250 0.814) 0.973 9.629 ( 1.214 -1.858 -22.179) 22.290 9.665 ( -1.367 2.055 24.090) 24.216 9.993 ( -0.375 0.473 -0.051) 0.606 10.055 ( 0.203 0.042 0.102) 0.231 11.304 ( -1.687 1.328 -1.126) 2.424 11.382 ( -0.986 1.364 0.234) 1.700 13.773 ( -0.668 -0.933 0.709) 1.349 13.947 ( 0.896 -0.982 -0.934) 1.625 ======================= Grid point 207 (105/116) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 8.911 0.000 1.032) 8.970 1.016 ( 11.050 0.000 -11.269) 15.782 1.891 ( -0.025 -0.000 -2.414) 2.414 1.921 ( -0.307 -0.000 -7.182) 7.188 2.435 ( -8.016 -0.000 -4.508) 9.197 2.539 ( -6.175 -0.000 7.042) 9.366 2.726 ( 0.587 0.000 -5.112) 5.146 2.752 ( -4.555 -0.000 -0.256) 4.562 2.817 ( -6.112 -0.000 6.669) 9.046 2.891 ( 4.281 0.000 4.626) 6.303 2.983 ( 5.886 0.000 4.257) 7.264 3.008 ( 3.399 0.000 -6.796) 7.598 3.284 ( -8.897 -0.000 -2.068) 9.134 3.329 ( -9.633 -0.000 4.990) 10.848 3.430 ( -4.207 -0.000 0.088) 4.208 3.489 ( -6.710 -0.000 1.353) 6.845 4.067 ( 8.740 0.000 -1.046) 8.803 4.109 ( 9.317 0.000 -0.367) 9.324 4.209 ( 0.859 0.000 0.839) 1.201 4.380 ( 4.505 0.000 2.100) 4.970 4.669 ( -2.866 -0.000 10.089) 10.488 4.687 ( -1.431 -0.000 -5.358) 5.546 5.112 ( 4.186 0.000 -28.634) 28.938 5.198 ( 2.132 0.000 26.330) 26.416 5.931 ( 0.135 0.000 -9.332) 9.333 5.993 ( 0.783 0.000 7.167) 7.210 8.231 ( 1.729 0.000 -13.010) 13.125 8.244 ( 0.702 0.000 10.549) 10.573 9.598 ( -0.155 -0.000 -23.495) 23.495 9.709 ( 0.166 0.000 28.192) 28.192 10.028 ( -0.365 -0.000 0.725) 0.811 10.056 ( 0.568 0.000 0.833) 1.008 11.457 ( -7.291 -0.000 4.955) 8.816 11.513 ( -4.274 -0.000 -7.891) 8.974 13.707 ( -1.535 -0.000 5.910) 6.106 13.842 ( 3.231 0.000 -6.644) 7.388 ======================= Grid point 208 (106/116) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 13.306 9.475 -5.407) 17.207 1.099 ( 12.632 7.457 -13.544) 19.965 1.847 ( -2.229 3.821 4.430) 6.260 1.865 ( -0.535 2.886 -11.848) 12.206 2.321 ( -4.426 4.560 7.333) 9.703 2.513 ( -5.361 0.912 -6.981) 8.849 2.594 ( -4.737 1.909 5.924) 7.822 2.623 ( -6.496 8.675 5.072) 11.966 2.820 ( -1.644 -5.870 -4.057) 7.323 2.937 ( 3.445 -0.625 2.907) 4.551 3.019 ( -2.976 -1.913 -0.762) 3.619 3.104 ( -3.828 -6.246 0.302) 7.332 3.239 ( 1.570 -6.856 3.340) 7.787 3.296 ( -6.110 -1.489 0.337) 6.297 3.471 ( -2.496 -8.259 -0.036) 8.628 3.487 ( -4.150 -8.414 -0.932) 9.428 4.114 ( 5.205 4.760 0.831) 7.102 4.187 ( 4.644 1.236 -0.506) 4.832 4.229 ( 4.202 1.201 -0.299) 4.381 4.393 ( 3.194 3.606 1.799) 5.142 4.631 ( -2.580 1.369 8.642) 9.122 4.642 ( -1.225 2.577 -4.239) 5.110 5.168 ( 4.630 -1.877 -21.661) 22.230 5.268 ( 1.798 -2.617 20.662) 20.904 5.911 ( 1.206 2.191 -8.765) 9.115 5.982 ( 0.611 2.817 6.339) 6.964 8.241 ( 1.579 0.122 -9.669) 9.798 8.264 ( 0.904 -0.234 6.767) 6.831 9.586 ( 0.610 -0.560 -21.349) 21.365 9.722 ( -0.626 0.929 27.279) 27.302 10.019 ( -0.399 0.588 0.898) 1.145 10.059 ( 0.026 0.179 0.775) 0.796 11.354 ( -7.107 1.117 0.624) 7.221 11.433 ( -5.393 1.111 -4.513) 7.119 13.717 ( -0.064 -1.483 5.972) 6.154 13.886 ( 2.138 -1.618 -6.625) 7.147 ======================= Grid point 209 (107/116) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 10.959 13.927 -8.599) 19.698 1.056 ( 10.768 11.336 -12.925) 20.286 1.761 ( -3.862 2.708 5.037) 6.901 1.808 ( 1.659 2.142 -5.165) 5.833 2.171 ( -2.060 7.147 7.718) 10.719 2.386 ( -3.481 2.766 -7.751) 8.936 2.458 ( -4.792 2.502 3.619) 6.506 2.588 ( -1.735 -2.873 5.372) 6.334 2.817 ( -9.884 -1.055 5.733) 11.475 3.002 ( 4.096 -0.524 -3.350) 5.317 3.035 ( 1.073 -5.556 1.046) 5.754 3.197 ( -5.029 1.560 -2.004) 5.634 3.282 ( 0.771 -12.158 -2.050) 12.354 3.413 ( 2.222 -7.674 1.195) 8.078 3.595 ( -2.152 -8.681 -0.523) 8.959 3.633 ( -2.759 -11.178 -1.121) 11.568 4.067 ( 3.316 6.182 1.366) 7.147 4.175 ( 2.229 4.940 0.085) 5.420 4.241 ( 1.488 1.461 -2.280) 3.090 4.357 ( 0.960 3.561 3.175) 4.866 4.566 ( -0.428 3.909 -6.252) 7.386 4.578 ( -1.809 2.593 8.505) 9.073 5.236 ( 3.501 -1.519 -11.223) 11.854 5.345 ( 0.691 -2.485 11.196) 11.489 5.876 ( 1.878 3.102 -7.475) 8.308 5.929 ( 0.272 4.161 5.828) 7.166 8.247 ( 1.029 0.328 -5.426) 5.533 8.279 ( 0.351 0.037 3.361) 3.379 9.600 ( 1.651 -1.335 -20.581) 20.690 9.704 ( -1.680 1.947 25.565) 25.694 10.002 ( -0.205 0.816 0.719) 1.106 10.054 ( -0.459 0.013 -0.125) 0.476 11.274 ( -4.021 -0.391 -1.344) 4.258 11.359 ( -4.276 -0.065 -1.812) 4.644 13.757 ( 1.248 -1.530 5.180) 5.543 13.928 ( 0.457 -1.692 -5.393) 5.671 ======================= Grid point 210 (108/116) ======================= q-point: (-0.43 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 5.029 14.107 -4.438) 15.621 0.919 ( 0.092 12.476 -2.269) 12.681 1.713 ( 0.179 -0.108 4.148) 4.154 1.814 ( 2.134 0.368 -1.698) 2.752 2.121 ( 5.022 -0.149 -1.503) 5.245 2.353 ( 0.890 -1.482 -10.153) 10.299 2.404 ( -3.852 -1.955 2.334) 4.910 2.654 ( 2.015 -3.741 6.620) 7.866 2.693 ( -12.073 -0.450 9.674) 15.477 2.970 ( -5.412 2.408 -4.807) 7.629 3.188 ( 5.258 -4.819 3.630) 8.003 3.208 ( 5.881 -4.012 -3.467) 7.919 3.472 ( 3.498 -5.214 -1.798) 6.531 3.533 ( 2.416 -2.297 0.906) 3.454 3.693 ( -3.454 -6.136 -1.085) 7.124 3.749 ( -4.091 -6.098 -1.413) 7.478 3.996 ( 1.487 4.773 -2.056) 5.405 4.085 ( -1.300 5.527 4.592) 7.303 4.219 ( -0.123 1.671 -3.798) 4.152 4.297 ( -1.670 3.196 2.653) 4.477 4.508 ( 0.140 1.699 -0.366) 1.743 4.527 ( -0.846 1.307 0.966) 1.832 5.279 ( 2.525 0.320 -3.593) 4.403 5.375 ( -0.867 -0.097 3.517) 3.624 5.845 ( 1.230 2.160 -1.640) 2.978 5.872 ( 0.141 2.539 1.176) 2.802 8.246 ( 0.503 0.521 -1.914) 2.047 8.275 ( -0.517 0.519 1.491) 1.661 9.632 ( 2.013 -1.521 -21.857) 22.002 9.666 ( -1.826 1.896 23.286) 23.434 9.996 ( 0.586 0.071 0.676) 0.898 10.047 ( -0.778 -0.135 -0.541) 0.958 11.274 ( -0.551 -2.758 0.661) 2.889 11.338 ( -2.201 -2.426 -1.892) 3.783 13.799 ( 2.304 -0.260 3.838) 4.484 13.938 ( -1.299 -0.335 -3.637) 3.876 ======================= Grid point 211 (109/116) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 1.150 6.194 -1.403) 6.454 0.687 ( -6.465 6.939 5.613) 11.020 1.767 ( 2.680 -2.772 5.530) 6.742 1.828 ( -0.436 -1.254 -3.130) 3.400 2.266 ( 9.860 -4.542 -6.349) 12.576 2.426 ( 1.036 -4.910 -9.860) 11.064 2.437 ( -0.344 -5.336 0.207) 5.351 2.573 ( -10.684 -1.688 11.295) 15.639 2.763 ( 2.872 -4.219 5.247) 7.320 2.874 ( -4.889 -0.281 -2.311) 5.415 3.304 ( 5.546 1.533 0.475) 5.774 3.330 ( 2.607 0.595 -0.811) 2.795 3.525 ( 6.788 4.312 0.187) 8.044 3.560 ( 4.098 1.744 0.763) 4.519 3.702 ( -4.198 0.011 -1.568) 4.482 3.722 ( -5.086 1.268 -0.960) 5.328 3.956 ( 1.199 1.301 -4.466) 4.803 4.019 ( -3.985 -1.675 6.274) 7.619 4.168 ( -0.127 3.877 0.736) 3.949 4.217 ( -3.102 2.427 -2.679) 4.763 4.522 ( -0.056 -2.988 8.236) 8.761 4.534 ( 0.040 -3.104 -8.335) 8.894 5.276 ( 1.847 3.101 3.687) 5.159 5.331 ( -1.840 3.084 -3.931) 5.324 5.840 ( 0.250 -0.603 8.912) 8.936 5.858 ( 0.072 -1.078 -8.579) 8.646 8.240 ( 0.210 0.644 1.084) 1.278 8.255 ( -0.811 0.771 -0.601) 1.270 9.641 ( -0.903 0.852 23.179) 23.212 9.656 ( 1.095 -0.804 -24.078) 24.116 10.012 ( 1.039 -0.487 0.586) 1.288 10.039 ( -0.965 -0.227 -0.551) 1.134 11.349 ( 1.568 -4.720 2.411) 5.528 11.382 ( -0.680 -4.616 -2.255) 5.182 13.823 ( 2.983 1.515 1.683) 3.745 13.901 ( -2.705 1.519 -1.408) 3.407 ======================= Grid point 212 (110/116) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 4.248 -5.997 -15.858) 17.478 0.612 ( -4.248 -5.997 15.858) 17.478 1.849 ( 0.434 -2.760 -13.263) 13.554 1.849 ( -0.434 -2.760 13.263) 13.554 2.460 ( -3.534 -5.136 -1.155) 6.341 2.460 ( 3.534 -5.136 1.155) 6.341 2.571 ( 2.843 -6.944 -13.134) 15.126 2.571 ( -2.843 -6.944 13.134) 15.126 2.863 ( -1.053 -2.844 -6.424) 7.104 2.863 ( 1.053 -2.844 6.424) 7.104 3.194 ( -0.047 12.889 -6.705) 14.529 3.194 ( 0.047 12.889 6.705) 14.529 3.582 ( -1.834 2.713 -4.311) 5.414 3.582 ( 1.834 2.713 4.311) 5.414 3.622 ( -5.620 1.785 -3.130) 6.676 3.622 ( 5.620 1.785 3.130) 6.676 3.974 ( -1.804 2.143 -1.817) 3.339 3.974 ( 1.804 2.143 1.817) 3.339 4.155 ( -3.435 -1.749 -7.296) 8.252 4.155 ( 3.435 -1.749 7.296) 8.252 4.604 ( 0.195 -4.971 -7.712) 9.178 4.604 ( -0.195 -4.971 7.712) 9.178 5.231 ( 0.721 4.872 -27.672) 28.107 5.231 ( -0.721 4.872 27.672) 28.107 5.886 ( -0.388 -2.992 -10.728) 11.145 5.886 ( 0.388 -2.992 10.728) 11.145 8.233 ( 0.616 0.618 -11.880) 11.912 8.233 ( -0.616 0.618 11.880) 11.912 9.649 ( 0.099 -0.066 -26.178) 26.178 9.649 ( -0.100 -0.066 26.178) 26.178 10.032 ( -0.251 -0.344 -1.008) 1.094 10.032 ( 0.251 -0.344 1.008) 1.094 11.458 ( 0.391 -5.066 -5.461) 7.459 11.458 ( -0.391 -5.066 5.461) 7.459 13.825 ( 0.904 2.588 -1.517) 3.133 13.825 ( -0.904 2.588 1.517) 3.133 ======================= Grid point 216 (111/116) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 15.765 0.000 -12.308) 20.000 1.304 ( 13.425 0.000 -7.077) 15.176 1.866 ( -2.417 -0.000 -8.144) 8.495 1.871 ( -3.098 -0.000 -3.237) 4.480 2.326 ( -0.809 -0.000 0.550) 0.978 2.430 ( -3.594 -0.000 3.801) 5.231 2.581 ( -7.931 -0.000 0.200) 7.934 2.645 ( -8.121 -0.000 6.524) 10.417 2.718 ( -1.656 -0.000 7.339) 7.523 2.917 ( -1.519 -0.000 1.626) 2.225 2.982 ( -3.041 -0.000 -4.033) 5.051 3.017 ( -2.231 -0.000 -4.644) 5.152 3.072 ( -5.279 -0.000 6.915) 8.700 3.311 ( -8.642 -0.000 -2.858) 9.102 3.345 ( 5.053 0.000 3.672) 6.246 3.396 ( 2.472 0.000 -1.300) 2.793 4.230 ( 4.355 0.000 -0.734) 4.416 4.245 ( 3.577 0.000 3.584) 5.064 4.277 ( 2.167 0.000 -1.871) 2.863 4.451 ( 0.644 0.000 -0.623) 0.896 4.617 ( -2.128 -0.000 11.529) 11.724 4.647 ( -0.563 -0.000 -6.348) 6.373 5.202 ( 5.987 0.000 -25.267) 25.966 5.283 ( 1.075 0.000 24.765) 24.789 5.946 ( 2.279 0.000 -7.296) 7.643 6.020 ( 0.687 0.000 4.590) 4.641 8.255 ( 1.779 0.000 -11.464) 11.601 8.278 ( 0.569 0.000 8.183) 8.202 9.577 ( 1.553 0.000 -19.131) 19.194 9.740 ( -1.502 -0.000 26.119) 26.162 10.021 ( -0.332 -0.000 0.959) 1.015 10.056 ( -0.868 -0.000 1.061) 1.371 11.271 ( -6.920 -0.000 -1.152) 7.015 11.361 ( -6.630 -0.000 -3.740) 7.612 13.719 ( 1.541 0.000 7.978) 8.125 13.886 ( 1.170 0.000 -8.576) 8.655 ======================= Grid point 217 (112/116) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 13.431 12.064 -10.115) 20.694 1.394 ( 12.566 10.186 -13.169) 20.859 1.768 ( -4.462 3.246 3.859) 6.734 1.829 ( -0.984 0.110 -4.482) 4.590 2.251 ( -3.753 4.477 4.462) 7.351 2.392 ( -6.576 0.410 -1.495) 6.756 2.444 ( -3.237 7.456 -0.621) 8.152 2.544 ( -2.106 -0.956 6.204) 6.621 2.728 ( -2.314 -0.439 12.275) 12.499 2.930 ( -1.293 -4.728 3.785) 6.193 2.995 ( -0.009 -3.003 -8.194) 8.727 3.059 ( -1.617 -10.676 -3.998) 11.514 3.123 ( -4.528 -4.127 -0.975) 6.203 3.262 ( -4.272 -9.543 1.821) 10.613 3.453 ( 2.345 -5.135 1.372) 5.809 3.476 ( 1.613 -4.943 -1.099) 5.314 4.215 ( 2.900 5.043 0.628) 5.852 4.267 ( 0.220 2.023 -0.224) 2.047 4.285 ( 2.458 2.011 0.447) 3.207 4.414 ( -1.541 3.093 -0.642) 3.515 4.597 ( -0.750 1.487 7.687) 7.866 4.618 ( -0.204 2.431 -4.390) 5.023 5.258 ( 4.818 -0.712 -18.512) 19.142 5.325 ( -0.012 -1.656 18.589) 18.662 5.951 ( 2.679 2.461 -6.011) 7.026 6.003 ( 0.304 3.041 4.115) 5.126 8.264 ( 1.406 0.365 -8.494) 8.618 8.287 ( -0.063 0.151 6.041) 6.043 9.594 ( 2.842 -0.555 -18.271) 18.499 9.724 ( -2.905 1.084 24.324) 24.521 10.013 ( -0.219 0.547 1.102) 1.250 10.043 ( -1.172 -0.081 -0.336) 1.222 11.208 ( -3.695 -0.972 -2.304) 4.462 11.286 ( -5.555 -0.693 -1.594) 5.820 13.762 ( 2.519 -1.127 8.333) 8.778 13.896 ( -0.344 -1.242 -8.599) 8.695 ======================= Grid point 218 (113/116) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 7.231 19.368 -5.583) 21.414 1.208 ( 1.243 18.684 -4.181) 19.186 1.737 ( 2.405 0.030 1.833) 3.024 1.820 ( -1.747 -0.006 -0.862) 1.948 2.180 ( 2.666 0.531 -0.531) 2.769 2.302 ( -7.087 -1.749 5.180) 8.951 2.369 ( 3.945 2.198 -11.977) 12.800 2.517 ( -8.097 -1.133 9.627) 12.631 2.727 ( 4.605 1.787 11.164) 12.208 2.912 ( -7.610 1.281 -8.699) 11.629 3.102 ( 2.724 -8.891 5.553) 10.831 3.160 ( -0.475 -7.272 -4.406) 8.516 3.333 ( 4.459 -14.325 -3.935) 15.511 3.438 ( -2.430 -12.181 2.798) 12.732 3.562 ( -0.413 -5.505 0.008) 5.520 3.571 ( -1.041 -5.257 -1.206) 5.493 4.140 ( 2.455 7.316 -0.479) 7.731 4.188 ( -1.522 6.423 1.716) 6.820 4.263 ( 1.880 2.928 -1.712) 3.878 4.326 ( -2.965 3.432 1.325) 4.725 4.556 ( 0.636 3.057 -8.238) 8.810 4.561 ( -0.850 3.051 9.048) 9.587 5.309 ( 3.383 -0.545 -9.586) 10.180 5.354 ( -1.444 -1.094 9.649) 9.818 5.918 ( 1.893 3.908 -4.727) 6.418 5.939 ( -0.336 4.381 4.043) 5.971 8.264 ( 1.017 0.656 -4.832) 4.982 8.279 ( -0.717 0.579 3.954) 4.060 9.629 ( 3.347 -0.564 -19.955) 20.242 9.681 ( -3.323 1.213 22.485) 22.762 10.007 ( 0.581 0.223 0.997) 1.176 10.032 ( -1.116 -0.194 -0.939) 1.472 11.216 ( -0.297 -2.769 -0.643) 2.858 11.257 ( -3.320 -2.463 -1.000) 4.253 13.824 ( 2.929 -1.161 7.325) 7.974 13.899 ( -1.885 -1.239 -7.286) 7.627 ======================= Grid point 219 (114/116) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.819 17.668 -6.015) 18.682 0.855 ( -0.819 17.668 6.015) 18.682 1.784 ( -2.902 -0.455 -4.968) 5.771 1.784 ( 2.902 -0.455 4.968) 5.771 2.289 ( 2.808 -4.787 -5.406) 7.747 2.289 ( -2.808 -4.787 5.406) 7.747 2.429 ( 7.672 -1.188 -15.217) 17.083 2.429 ( -7.672 -1.188 15.217) 17.083 2.793 ( -6.609 0.169 -7.274) 9.829 2.793 ( 6.609 0.169 7.274) 9.829 3.286 ( -0.756 -7.098 -3.938) 8.152 3.286 ( 0.756 -7.098 3.938) 8.152 3.594 ( 0.148 -7.930 -2.269) 8.250 3.594 ( -0.148 -7.930 2.269) 8.249 3.613 ( -2.222 -1.656 -1.480) 3.142 3.613 ( 2.222 -1.656 1.480) 3.142 4.039 ( 1.831 6.702 -6.109) 9.252 4.039 ( -1.831 6.702 6.109) 9.252 4.238 ( 1.477 2.919 -5.107) 6.065 4.238 ( -1.477 2.919 5.107) 6.065 4.515 ( 0.771 1.462 -10.657) 10.785 4.515 ( -0.771 1.462 10.657) 10.785 5.338 ( 1.950 0.804 -25.920) 26.006 5.338 ( -1.950 0.804 25.920) 26.006 5.868 ( 0.583 2.769 -9.597) 10.005 5.868 ( -0.583 2.769 9.597) 10.005 8.259 ( 0.783 0.811 -10.021) 10.085 8.259 ( -0.783 0.811 10.021) 10.085 9.651 ( 2.334 0.211 -22.822) 22.942 9.651 ( -2.334 0.211 22.822) 22.942 10.020 ( -0.766 -0.245 -1.636) 1.822 10.020 ( 0.766 -0.245 1.636) 1.822 11.287 ( -1.291 -4.230 -2.281) 4.977 11.287 ( 1.291 -4.230 2.281) 4.977 13.877 ( -2.840 -0.034 -5.134) 5.868 13.877 ( 2.840 -0.034 5.134) 5.868 ======================= Grid point 225 (115/116) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 13.412 0.000 -15.400) 20.422 1.613 ( 11.260 0.000 -7.750) 13.670 1.770 ( -4.469 -0.000 2.939) 5.349 1.776 ( -4.413 -0.000 5.706) 7.214 2.235 ( -5.020 -0.000 -5.377) 7.356 2.287 ( -8.738 -0.000 5.619) 10.389 2.519 ( 1.211 0.000 3.630) 3.827 2.527 ( -0.514 -0.000 1.305) 1.402 2.752 ( 3.090 0.000 13.145) 13.503 2.856 ( -3.423 -0.000 -2.954) 4.521 2.950 ( 0.606 0.000 -7.425) 7.449 2.953 ( -0.922 -0.000 -4.930) 5.016 2.998 ( -1.570 -0.000 8.980) 9.116 3.092 ( -7.656 -0.000 -3.768) 8.534 3.453 ( 2.403 0.000 2.481) 3.454 3.460 ( 1.810 0.000 -1.591) 2.410 4.276 ( -0.095 -0.000 1.561) 1.564 4.276 ( -0.215 -0.000 -2.796) 2.805 4.345 ( 3.303 0.000 2.939) 4.421 4.417 ( -2.314 -0.000 -2.077) 3.110 4.618 ( 0.232 0.000 9.081) 9.084 4.635 ( 0.066 0.000 -7.043) 7.043 5.290 ( 4.166 0.000 -23.903) 24.263 5.320 ( -1.426 -0.000 24.067) 24.109 6.002 ( 2.530 0.000 -4.451) 5.120 6.033 ( -0.406 -0.000 3.252) 3.277 8.277 ( 1.354 0.000 -9.026) 9.127 8.290 ( -0.653 -0.000 7.443) 7.471 9.620 ( 4.310 0.000 -17.624) 18.144 9.706 ( -4.518 -0.000 21.794) 22.257 10.016 ( -0.136 -0.000 1.335) 1.342 10.027 ( -0.998 -0.000 -1.144) 1.518 11.167 ( -0.853 -0.000 -2.510) 2.651 11.214 ( -4.479 -0.000 0.037) 4.479 13.793 ( 2.856 0.000 9.732) 10.143 13.867 ( -1.478 -0.000 -9.906) 10.015 ======================= Grid point 226 (116/116) ======================= q-point: (-0.43 -0.57 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 4.490 16.234 -5.159) 17.616 1.511 ( -4.489 16.235 5.158) 17.616 1.768 ( 5.051 -1.521 -5.871) 7.893 1.768 ( -5.051 -1.521 5.872) 7.893 2.214 ( 1.854 -0.106 -7.734) 7.953 2.214 ( -1.854 -0.106 7.734) 7.954 2.478 ( 3.194 4.060 -5.124) 7.276 2.478 ( -3.194 4.060 5.124) 7.276 2.826 ( -6.014 -0.538 -11.119) 12.653 2.826 ( 6.015 -0.538 11.119) 12.653 2.993 ( -1.078 -6.242 -7.175) 9.571 2.993 ( 1.078 -6.242 7.175) 9.571 3.148 ( 1.972 -12.806 -7.404) 14.923 3.148 ( -1.972 -12.806 7.404) 14.923 3.498 ( -0.212 -3.083 -1.538) 3.451 3.498 ( 0.212 -3.083 1.538) 3.451 4.251 ( 0.000 2.856 -1.794) 3.372 4.251 ( -0.000 2.856 1.793) 3.372 4.354 ( -2.576 3.321 -2.737) 5.016 4.354 ( 2.576 3.321 2.737) 5.016 4.607 ( 0.205 2.277 -8.733) 9.028 4.607 ( -0.205 2.277 8.733) 9.027 5.322 ( 2.663 -0.889 -24.122) 24.285 5.322 ( -2.663 -0.889 24.122) 24.285 5.998 ( 1.284 2.930 -4.487) 5.510 5.998 ( -1.284 2.930 4.487) 5.510 8.282 ( 1.038 0.386 -8.284) 8.358 8.282 ( -1.038 0.386 8.284) 8.358 9.661 ( 4.668 0.234 -19.607) 20.156 9.661 ( -4.667 0.234 19.606) 20.156 10.018 ( -0.435 0.022 -1.513) 1.575 10.018 ( 0.435 0.022 1.513) 1.575 11.187 ( 0.808 -1.487 -1.411) 2.204 11.187 ( -0.808 -1.487 1.411) 2.204 13.844 ( -2.514 -1.064 -9.396) 9.784 13.844 ( 2.514 -1.064 9.396) 9.784 =================== 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 3/14112 10.0 21.612 25.106 17.296 -0.000 -1.864 0.000 3/14112 20.0 8.300 10.026 7.161 0.000 -0.784 0.000 3/14112 30.0 4.328 5.158 4.004 0.000 -0.431 0.000 3/14112 40.0 2.794 3.298 2.760 0.000 -0.290 0.000 3/14112 50.0 2.049 2.406 2.217 0.000 -0.222 0.000 3/14112 60.0 1.625 1.901 1.987 -0.000 -0.187 0.000 3/14112 70.0 1.354 1.581 1.902 -0.000 -0.165 0.000 3/14112 80.0 1.169 1.361 1.878 -0.000 -0.151 0.000 3/14112 90.0 1.033 1.201 1.874 -0.000 -0.140 0.000 3/14112 100.0 0.930 1.079 1.870 -0.000 -0.130 0.000 3/14112 110.0 0.849 0.983 1.860 -0.000 -0.122 0.000 3/14112 120.0 0.783 0.906 1.842 -0.000 -0.115 0.000 3/14112 130.0 0.728 0.841 1.816 -0.000 -0.108 0.000 3/14112 140.0 0.681 0.787 1.784 -0.000 -0.102 0.000 3/14112 150.0 0.641 0.740 1.748 -0.000 -0.097 0.000 3/14112 160.0 0.605 0.699 1.708 -0.000 -0.092 0.000 3/14112 170.0 0.574 0.663 1.666 -0.000 -0.087 0.000 3/14112 180.0 0.546 0.632 1.624 -0.000 -0.083 0.000 3/14112 190.0 0.521 0.603 1.581 -0.000 -0.079 0.000 3/14112 200.0 0.498 0.577 1.539 -0.000 -0.075 0.000 3/14112 210.0 0.477 0.553 1.497 -0.000 -0.072 0.000 3/14112 220.0 0.458 0.532 1.457 -0.000 -0.069 0.000 3/14112 230.0 0.441 0.512 1.417 -0.000 -0.066 0.000 3/14112 240.0 0.424 0.494 1.379 -0.000 -0.064 0.000 3/14112 250.0 0.409 0.477 1.342 -0.000 -0.061 0.000 3/14112 260.0 0.395 0.461 1.306 -0.000 -0.059 0.000 3/14112 270.0 0.382 0.446 1.272 -0.000 -0.057 0.000 3/14112 280.0 0.370 0.432 1.239 -0.000 -0.055 0.000 3/14112 290.0 0.359 0.419 1.207 -0.000 -0.053 0.000 3/14112 300.0 0.348 0.407 1.177 -0.000 -0.051 0.000 3/14112 310.0 0.338 0.395 1.148 -0.000 -0.050 0.000 3/14112 320.0 0.328 0.384 1.120 -0.000 -0.048 0.000 3/14112 330.0 0.319 0.374 1.093 -0.000 -0.047 0.000 3/14112 340.0 0.310 0.364 1.067 -0.000 -0.045 0.000 3/14112 350.0 0.302 0.355 1.043 -0.000 -0.044 0.000 3/14112 360.0 0.295 0.346 1.019 -0.000 -0.043 0.000 3/14112 370.0 0.287 0.338 0.996 -0.000 -0.042 0.000 3/14112 380.0 0.280 0.330 0.974 -0.000 -0.040 0.000 3/14112 390.0 0.274 0.323 0.953 -0.000 -0.039 0.000 3/14112 400.0 0.267 0.315 0.933 -0.000 -0.038 0.000 3/14112 410.0 0.261 0.308 0.914 -0.000 -0.037 0.000 3/14112 420.0 0.256 0.302 0.895 -0.000 -0.037 0.000 3/14112 430.0 0.250 0.295 0.877 -0.000 -0.036 0.000 3/14112 440.0 0.245 0.289 0.860 -0.000 -0.035 0.000 3/14112 450.0 0.240 0.283 0.843 -0.000 -0.034 0.000 3/14112 460.0 0.235 0.278 0.827 -0.000 -0.033 0.000 3/14112 470.0 0.230 0.272 0.811 -0.000 -0.033 0.000 3/14112 480.0 0.226 0.267 0.796 -0.000 -0.032 0.000 3/14112 490.0 0.221 0.262 0.782 -0.000 -0.031 0.000 3/14112 500.0 0.217 0.257 0.768 -0.000 -0.031 0.000 3/14112 510.0 0.213 0.253 0.754 -0.000 -0.030 0.000 3/14112 520.0 0.209 0.248 0.741 -0.000 -0.030 0.000 3/14112 530.0 0.205 0.244 0.729 -0.000 -0.029 0.000 3/14112 540.0 0.202 0.240 0.716 -0.000 -0.028 0.000 3/14112 550.0 0.198 0.236 0.705 -0.000 -0.028 0.000 3/14112 560.0 0.195 0.232 0.693 -0.000 -0.027 0.000 3/14112 570.0 0.192 0.228 0.682 -0.000 -0.027 0.000 3/14112 580.0 0.188 0.224 0.671 -0.000 -0.026 0.000 3/14112 590.0 0.185 0.221 0.661 -0.000 -0.026 0.000 3/14112 600.0 0.182 0.217 0.651 -0.000 -0.026 0.000 3/14112 610.0 0.180 0.214 0.641 -0.000 -0.025 0.000 3/14112 620.0 0.177 0.211 0.631 -0.000 -0.025 0.000 3/14112 630.0 0.174 0.208 0.622 -0.000 -0.024 0.000 3/14112 640.0 0.172 0.205 0.613 -0.000 -0.024 0.000 3/14112 650.0 0.169 0.202 0.604 -0.000 -0.024 0.000 3/14112 660.0 0.167 0.199 0.596 -0.000 -0.023 0.000 3/14112 670.0 0.164 0.196 0.587 -0.000 -0.023 0.000 3/14112 680.0 0.162 0.193 0.579 -0.000 -0.023 0.000 3/14112 690.0 0.160 0.191 0.571 -0.000 -0.022 0.000 3/14112 700.0 0.157 0.188 0.564 -0.000 -0.022 0.000 3/14112 710.0 0.155 0.186 0.556 -0.000 -0.022 0.000 3/14112 720.0 0.153 0.183 0.549 -0.000 -0.021 0.000 3/14112 730.0 0.151 0.181 0.542 -0.000 -0.021 0.000 3/14112 740.0 0.149 0.178 0.535 -0.000 -0.021 0.000 3/14112 750.0 0.147 0.176 0.528 -0.000 -0.020 0.000 3/14112 760.0 0.145 0.174 0.522 -0.000 -0.020 0.000 3/14112 770.0 0.144 0.172 0.515 -0.000 -0.020 0.000 3/14112 780.0 0.142 0.170 0.509 -0.000 -0.020 0.000 3/14112 790.0 0.140 0.168 0.503 -0.000 -0.019 0.000 3/14112 800.0 0.138 0.166 0.497 -0.000 -0.019 0.000 3/14112 810.0 0.137 0.164 0.491 -0.000 -0.019 0.000 3/14112 820.0 0.135 0.162 0.485 -0.000 -0.019 0.000 3/14112 830.0 0.133 0.160 0.480 -0.000 -0.018 0.000 3/14112 840.0 0.132 0.158 0.474 -0.000 -0.018 0.000 3/14112 850.0 0.130 0.156 0.469 -0.000 -0.018 0.000 3/14112 860.0 0.129 0.155 0.464 -0.000 -0.018 0.000 3/14112 870.0 0.128 0.153 0.459 -0.000 -0.018 0.000 3/14112 880.0 0.126 0.151 0.454 -0.000 -0.017 0.000 3/14112 890.0 0.125 0.150 0.449 -0.000 -0.017 0.000 3/14112 900.0 0.123 0.148 0.444 -0.000 -0.017 0.000 3/14112 910.0 0.122 0.147 0.439 -0.000 -0.017 0.000 3/14112 920.0 0.121 0.145 0.435 -0.000 -0.017 0.000 3/14112 930.0 0.119 0.143 0.430 -0.000 -0.016 0.000 3/14112 940.0 0.118 0.142 0.426 -0.000 -0.016 0.000 3/14112 950.0 0.117 0.141 0.421 -0.000 -0.016 0.000 3/14112 960.0 0.116 0.139 0.417 -0.000 -0.016 0.000 3/14112 970.0 0.115 0.138 0.413 -0.000 -0.016 0.000 3/14112 980.0 0.114 0.136 0.409 -0.000 -0.016 0.000 3/14112 990.0 0.112 0.135 0.405 -0.000 -0.015 0.000 3/14112 1000.0 0.111 0.134 0.401 -0.000 -0.015 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m778.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:33:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|