----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:11:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] 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: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.349917785049873 -2.869152690000000 0.000000000000000 b 4.349917785049873 2.869152690000000 0.000000000000000 c -1.099841021107853 0.000000000000000 7.739448743394145 Atomic positions (fractional): *1 Li 0.03302485871518 0.36327119343245 0.64592705388569 6.941 2 Li 0.63672880656755 0.96697514128482 0.85407294611431 6.941 *3 Li 0.22264506346487 0.56590674456098 0.05689778006733 6.941 4 Li 0.43409325543902 0.77735493653513 0.44310221993267 6.941 5 Li 0.77735493653513 0.43409325543902 0.94310221993267 6.941 6 Li 0.56590674456098 0.22264506346487 0.55689778006733 6.941 7 Li 0.96697514128482 0.63672880656755 0.35407294611431 6.941 8 Li 0.36327119343245 0.03302485871518 0.14592705388569 6.941 *9 O 0.34998201043668 0.00751771312194 0.65933042146213 15.999 10 O 0.99248228687806 0.65001798956332 0.84066957853787 15.999 *11 O 0.13115359381124 0.86884640618876 0.25000000000000 15.999 12 O 0.86884640618876 0.13115359381124 0.75000000000000 15.999 *13 O 0.76683111620393 0.41201505548418 0.42784695703856 15.999 14 O 0.58798494451582 0.23316888379607 0.07215304296144 15.999 15 O 0.23316888379607 0.58798494451582 0.57215304296144 15.999 16 O 0.41201505548418 0.76683111620393 0.92784695703856 15.999 17 O 0.00751771312194 0.34998201043668 0.15933042146213 15.999 18 O 0.65001798956332 0.99248228687806 0.34066957853787 15.999 *19 Se 0.17140288031905 0.82859711968095 0.75000000000000 78.960 20 Se 0.82859711968095 0.17140288031905 0.25000000000000 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.699835570099745 0.000000000000000 0.000000000000000 b 0.000000000000000 5.738305380000001 0.000000000000000 c -1.099841021107853 0.000000000000000 7.739448743394145 Atomic positions (fractional): *1 Li 0.19814802607382 0.16512316735864 0.64592705388569 6.941 > 1 2 Li 0.80185197392618 0.16512316735864 0.85407294611431 6.941 > 2 *3 Li 0.39427590401292 0.17163084054806 0.05689778006733 6.941 > 3 4 Li 0.60572409598708 0.17163084054806 0.44310221993267 6.941 > 4 5 Li 0.60572409598708 0.82836915945194 0.94310221993267 6.941 > 5 6 Li 0.39427590401292 0.82836915945194 0.55689778006733 6.941 > 6 7 Li 0.80185197392618 0.83487683264136 0.35407294611431 6.941 > 7 8 Li 0.19814802607382 0.83487683264136 0.14592705388569 6.941 > 8 9 Li 0.69814802607382 0.66512316735864 0.64592705388569 6.941 > 1 10 Li 0.30185197392618 0.66512316735864 0.85407294611431 6.941 > 2 11 Li 0.89427590401292 0.67163084054806 0.05689778006733 6.941 > 3 12 Li 0.10572409598708 0.67163084054806 0.44310221993267 6.941 > 4 13 Li 0.10572409598708 0.32836915945194 0.94310221993267 6.941 > 5 14 Li 0.89427590401292 0.32836915945194 0.55689778006733 6.941 > 6 15 Li 0.30185197392618 0.33487683264136 0.35407294611431 6.941 > 7 16 Li 0.69814802607382 0.33487683264136 0.14592705388569 6.941 > 8 *17 O 0.17874986177931 0.82876785134263 0.65933042146213 15.999 > 9 18 O 0.82125013822069 0.82876785134263 0.84066957853787 15.999 > 10 *19 O 0.50000000000000 0.36884640618876 0.25000000000000 15.999 > 11 20 O 0.50000000000000 0.63115359381124 0.75000000000000 15.999 > 12 *21 O 0.58942308584405 0.82259196964013 0.42784695703856 15.999 > 13 22 O 0.41057691415595 0.82259196964013 0.07215304296144 15.999 > 14 23 O 0.41057691415595 0.17740803035988 0.57215304296144 15.999 > 15 24 O 0.58942308584405 0.17740803035988 0.92784695703856 15.999 > 16 25 O 0.17874986177931 0.17123214865737 0.15933042146213 15.999 > 17 26 O 0.82125013822069 0.17123214865737 0.34066957853787 15.999 > 18 27 O 0.67874986177931 0.32876785134263 0.65933042146213 15.999 > 9 28 O 0.32125013822069 0.32876785134263 0.84066957853787 15.999 > 10 29 O 0.00000000000000 0.86884640618876 0.25000000000000 15.999 > 11 30 O 0.00000000000000 0.13115359381124 0.75000000000000 15.999 > 12 31 O 0.08942308584405 0.32259196964012 0.42784695703856 15.999 > 13 32 O 0.91057691415595 0.32259196964012 0.07215304296144 15.999 > 14 33 O 0.91057691415595 0.67740803035987 0.57215304296144 15.999 > 15 34 O 0.08942308584405 0.67740803035987 0.92784695703856 15.999 > 16 35 O 0.67874986177931 0.67123214865737 0.15933042146213 15.999 > 17 36 O 0.32125013822069 0.67123214865737 0.34066957853787 15.999 > 18 *37 Se 0.50000000000000 0.32859711968095 0.75000000000000 78.960 > 19 38 Se 0.50000000000000 0.67140288031905 0.25000000000000 78.960 > 20 39 Se 0.00000000000000 0.82859711968095 0.75000000000000 78.960 > 19 40 Se 0.00000000000000 0.17140288031905 0.25000000000000 78.960 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.699835570099745 0.000000000000000 0.000000000000000 b 0.000000000000000 11.476610760000002 0.000000000000000 c -1.099841021107853 0.000000000000000 7.739448743394145 Atomic positions (fractional): *1 Li 0.19814802607382 0.08256158367932 0.64592705388569 6.941 > 1 2 Li 0.19814802607382 0.58256158367932 0.64592705388569 6.941 > 1 3 Li 0.80185197392618 0.08256158367932 0.85407294611431 6.941 > 2 4 Li 0.80185197392618 0.58256158367932 0.85407294611431 6.941 > 2 *5 Li 0.39427590401292 0.08581542027403 0.05689778006733 6.941 > 3 6 Li 0.39427590401292 0.58581542027403 0.05689778006733 6.941 > 3 7 Li 0.60572409598708 0.08581542027403 0.44310221993267 6.941 > 4 8 Li 0.60572409598708 0.58581542027403 0.44310221993267 6.941 > 4 9 Li 0.60572409598708 0.41418457972597 0.94310221993267 6.941 > 5 10 Li 0.60572409598708 0.91418457972597 0.94310221993267 6.941 > 5 11 Li 0.39427590401292 0.41418457972597 0.55689778006733 6.941 > 6 12 Li 0.39427590401292 0.91418457972597 0.55689778006733 6.941 > 6 13 Li 0.80185197392618 0.41743841632068 0.35407294611431 6.941 > 7 14 Li 0.80185197392618 0.91743841632068 0.35407294611431 6.941 > 7 15 Li 0.19814802607382 0.41743841632068 0.14592705388569 6.941 > 8 16 Li 0.19814802607382 0.91743841632068 0.14592705388569 6.941 > 8 17 Li 0.69814802607382 0.33256158367932 0.64592705388569 6.941 > 1 18 Li 0.69814802607382 0.83256158367932 0.64592705388569 6.941 > 1 19 Li 0.30185197392618 0.33256158367932 0.85407294611431 6.941 > 2 20 Li 0.30185197392618 0.83256158367932 0.85407294611431 6.941 > 2 21 Li 0.89427590401292 0.33581542027403 0.05689778006733 6.941 > 3 22 Li 0.89427590401292 0.83581542027403 0.05689778006733 6.941 > 3 23 Li 0.10572409598708 0.33581542027403 0.44310221993267 6.941 > 4 24 Li 0.10572409598708 0.83581542027403 0.44310221993267 6.941 > 4 25 Li 0.10572409598708 0.16418457972597 0.94310221993267 6.941 > 5 26 Li 0.10572409598708 0.66418457972597 0.94310221993267 6.941 > 5 27 Li 0.89427590401292 0.16418457972597 0.55689778006733 6.941 > 6 28 Li 0.89427590401292 0.66418457972597 0.55689778006733 6.941 > 6 29 Li 0.30185197392618 0.16743841632068 0.35407294611431 6.941 > 7 30 Li 0.30185197392618 0.66743841632068 0.35407294611431 6.941 > 7 31 Li 0.69814802607382 0.16743841632068 0.14592705388569 6.941 > 8 32 Li 0.69814802607382 0.66743841632068 0.14592705388569 6.941 > 8 *33 O 0.17874986177931 0.41438392567131 0.65933042146213 15.999 > 9 34 O 0.17874986177931 0.91438392567131 0.65933042146213 15.999 > 9 35 O 0.82125013822069 0.41438392567131 0.84066957853787 15.999 > 10 36 O 0.82125013822069 0.91438392567131 0.84066957853787 15.999 > 10 *37 O 0.50000000000000 0.18442320309438 0.25000000000000 15.999 > 11 38 O 0.50000000000000 0.68442320309438 0.25000000000000 15.999 > 11 39 O 0.50000000000000 0.31557679690562 0.75000000000000 15.999 > 12 40 O 0.50000000000000 0.81557679690562 0.75000000000000 15.999 > 12 *41 O 0.58942308584405 0.41129598482006 0.42784695703856 15.999 > 13 42 O 0.58942308584405 0.91129598482006 0.42784695703856 15.999 > 13 43 O 0.41057691415595 0.41129598482006 0.07215304296144 15.999 > 14 44 O 0.41057691415595 0.91129598482006 0.07215304296144 15.999 > 14 45 O 0.41057691415595 0.08870401517994 0.57215304296144 15.999 > 15 46 O 0.41057691415595 0.58870401517994 0.57215304296144 15.999 > 15 47 O 0.58942308584405 0.08870401517994 0.92784695703856 15.999 > 16 48 O 0.58942308584405 0.58870401517994 0.92784695703856 15.999 > 16 49 O 0.17874986177931 0.08561607432868 0.15933042146213 15.999 > 17 50 O 0.17874986177931 0.58561607432869 0.15933042146213 15.999 > 17 51 O 0.82125013822069 0.08561607432868 0.34066957853787 15.999 > 18 52 O 0.82125013822069 0.58561607432869 0.34066957853787 15.999 > 18 53 O 0.67874986177931 0.16438392567131 0.65933042146213 15.999 > 9 54 O 0.67874986177931 0.66438392567131 0.65933042146213 15.999 > 9 55 O 0.32125013822069 0.16438392567131 0.84066957853787 15.999 > 10 56 O 0.32125013822069 0.66438392567131 0.84066957853787 15.999 > 10 57 O 0.00000000000000 0.43442320309438 0.25000000000000 15.999 > 11 58 O 0.00000000000000 0.93442320309438 0.25000000000000 15.999 > 11 59 O 0.00000000000000 0.06557679690562 0.75000000000000 15.999 > 12 60 O 0.00000000000000 0.56557679690562 0.75000000000000 15.999 > 12 61 O 0.08942308584405 0.16129598482006 0.42784695703856 15.999 > 13 62 O 0.08942308584405 0.66129598482006 0.42784695703856 15.999 > 13 63 O 0.91057691415595 0.16129598482006 0.07215304296144 15.999 > 14 64 O 0.91057691415595 0.66129598482006 0.07215304296144 15.999 > 14 65 O 0.91057691415595 0.33870401517994 0.57215304296144 15.999 > 15 66 O 0.91057691415595 0.83870401517994 0.57215304296144 15.999 > 15 67 O 0.08942308584405 0.33870401517994 0.92784695703856 15.999 > 16 68 O 0.08942308584405 0.83870401517994 0.92784695703856 15.999 > 16 69 O 0.67874986177931 0.33561607432869 0.15933042146213 15.999 > 17 70 O 0.67874986177931 0.83561607432869 0.15933042146213 15.999 > 17 71 O 0.32125013822069 0.33561607432869 0.34066957853787 15.999 > 18 72 O 0.32125013822069 0.83561607432869 0.34066957853787 15.999 > 18 *73 Se 0.50000000000000 0.16429855984047 0.75000000000000 78.960 > 19 74 Se 0.50000000000000 0.66429855984047 0.75000000000000 78.960 > 19 75 Se 0.50000000000000 0.33570144015953 0.25000000000000 78.960 > 20 76 Se 0.50000000000000 0.83570144015953 0.25000000000000 78.960 > 20 77 Se 0.00000000000000 0.41429855984047 0.75000000000000 78.960 > 19 78 Se 0.00000000000000 0.91429855984047 0.75000000000000 78.960 > 19 79 Se 0.00000000000000 0.08570144015953 0.25000000000000 78.960 > 20 80 Se 0.00000000000000 0.58570144015953 0.25000000000000 78.960 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2184686 0.0000000 -0.0873629 0.0000000 2.9629576 0.0000000 -0.0873610 0.0000000 3.0269014 -------------------------- Born effective charges -------------------------- 1 Li 1.1220857 0.1815382 0.1146395 0.2783842 0.8935480 -0.0703550 0.1415529 -0.1526038 0.9795771 2 Li 1.1220857 -0.1815382 0.1146395 -0.2783842 0.8935480 0.0703550 0.1415529 0.1526038 0.9795771 3 Li 1.1214949 0.0222622 -0.1795244 0.1327821 1.1540979 0.1418168 -0.2040837 -0.1521345 1.0860427 4 Li 1.1214949 -0.0222622 -0.1795244 -0.1327821 1.1540979 -0.1418168 -0.2040837 0.1521345 1.0860427 5 Li 1.1214949 0.0222622 -0.1795244 0.1327821 1.1540979 0.1418168 -0.2040837 -0.1521345 1.0860427 6 Li 1.1214949 -0.0222622 -0.1795244 -0.1327821 1.1540979 -0.1418168 -0.2040837 0.1521345 1.0860427 7 Li 1.1220857 0.1815382 0.1146395 0.2783842 0.8935480 -0.0703550 0.1415529 -0.1526038 0.9795771 8 Li 1.1220857 -0.1815382 0.1146395 -0.2783842 0.8935480 0.0703550 0.1415529 0.1526038 0.9795771 9 O -2.2226113 0.0165760 0.3987658 0.0350847 -1.1929232 0.0593173 0.3845091 -0.0126935 -1.4186957 10 O -2.2226113 -0.0165760 0.3987658 -0.0350847 -1.1929232 -0.0593173 0.3845091 0.0126935 -1.4186957 11 O -1.4315758 0.0000000 0.1048564 0.0000000 -2.1296498 0.0000000 0.1582170 0.0000000 -1.2097424 12 O -1.4315758 0.0000000 0.1048564 0.0000000 -2.1296498 0.0000000 0.1582170 0.0000000 -1.2097424 13 O -1.5354602 -0.2629140 -0.1678572 -0.2088204 -1.3694270 -0.3267504 -0.1721141 -0.4208128 -1.8299249 14 O -1.5354602 0.2629140 -0.1678572 0.2088204 -1.3694270 0.3267504 -0.1721141 0.4208128 -1.8299249 15 O -1.5354602 -0.2629140 -0.1678572 -0.2088204 -1.3694270 -0.3267504 -0.1721141 -0.4208128 -1.8299249 16 O -1.5354602 0.2629140 -0.1678572 0.2088204 -1.3694270 0.3267504 -0.1721141 0.4208128 -1.8299249 17 O -2.2226113 -0.0165760 0.3987658 -0.0350847 -1.1929232 -0.0593173 0.3845091 0.0126935 -1.4186957 18 O -2.2226113 0.0165760 0.3987658 0.0350847 -1.1929232 0.0593173 0.3845091 -0.0126935 -1.4186957 19 Se 4.4605575 0.0000000 -0.4369038 0.0000000 3.1590585 0.0000000 -0.4579456 0.0000000 3.5757442 20 Se 4.4605575 0.0000000 -0.4369038 0.0000000 3.1590585 0.0000000 -0.4579456 0.0000000 3.5757442 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 238 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1853), data: False |-- (238, 232), data: True |-- (238, 232), data: True |-- (238, 232), data: True |-- (384, 376), data: True |-- (384, 376), data: True |-- (416, 405), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.197 Solver_block: 200 / 640 - Time: 2.201 Solver_block: 300 / 640 - Time: 2.200 Solver_block: 400 / 640 - Time: 2.201 Solver_block: 500 / 640 - Time: 2.199 Solver_block: 600 / 640 - Time: 2.197 Solver_block: 640 / 640 - Time: 0.944 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.188 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 238 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1853), data: False |-- (238, 232), data: True |-- (238, 232), data: True |-- (238, 232), data: True |-- (384, 376), data: True |-- (384, 376), data: True |-- (416, 405), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:11:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:11:38]------------------------- 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 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.349917785049873 -2.869152690000000 0.000000000000000 b 4.349917785049873 2.869152690000000 0.000000000000000 c -1.099841021107853 0.000000000000000 7.739448743394145 Atomic positions (fractional): 1 Li 0.03302485871518 0.36327119343245 0.64592705388569 6.941 2 Li 0.63672880656755 0.96697514128482 0.85407294611431 6.941 3 Li 0.22264506346487 0.56590674456098 0.05689778006733 6.941 4 Li 0.43409325543902 0.77735493653513 0.44310221993267 6.941 5 Li 0.77735493653513 0.43409325543902 0.94310221993267 6.941 6 Li 0.56590674456098 0.22264506346487 0.55689778006733 6.941 7 Li 0.96697514128482 0.63672880656755 0.35407294611431 6.941 8 Li 0.36327119343245 0.03302485871518 0.14592705388569 6.941 9 O 0.34998201043668 0.00751771312194 0.65933042146213 15.999 10 O 0.99248228687806 0.65001798956332 0.84066957853787 15.999 11 O 0.13115359381124 0.86884640618876 0.25000000000000 15.999 12 O 0.86884640618876 0.13115359381124 0.75000000000000 15.999 13 O 0.76683111620393 0.41201505548418 0.42784695703856 15.999 14 O 0.58798494451582 0.23316888379607 0.07215304296144 15.999 15 O 0.23316888379607 0.58798494451582 0.57215304296144 15.999 16 O 0.41201505548418 0.76683111620393 0.92784695703856 15.999 17 O 0.00751771312194 0.34998201043668 0.15933042146213 15.999 18 O 0.65001798956332 0.99248228687806 0.34066957853787 15.999 19 Se 0.17140288031905 0.82859711968095 0.75000000000000 78.960 20 Se 0.82859711968095 0.17140288031905 0.25000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.699835570099745 0.000000000000000 0.000000000000000 b 0.000000000000000 11.476610760000002 0.000000000000000 c -1.099841021107853 0.000000000000000 7.739448743394145 Atomic positions (fractional): 1 Li 0.19814802607382 0.08256158367932 0.64592705388569 6.941 > 1 2 Li 0.19814802607382 0.58256158367932 0.64592705388569 6.941 > 1 3 Li 0.80185197392618 0.08256158367932 0.85407294611431 6.941 > 3 4 Li 0.80185197392618 0.58256158367932 0.85407294611431 6.941 > 3 5 Li 0.39427590401292 0.08581542027403 0.05689778006733 6.941 > 5 6 Li 0.39427590401292 0.58581542027403 0.05689778006733 6.941 > 5 7 Li 0.60572409598708 0.08581542027403 0.44310221993267 6.941 > 7 8 Li 0.60572409598708 0.58581542027403 0.44310221993267 6.941 > 7 9 Li 0.60572409598708 0.41418457972597 0.94310221993267 6.941 > 9 10 Li 0.60572409598708 0.91418457972597 0.94310221993267 6.941 > 9 11 Li 0.39427590401292 0.41418457972597 0.55689778006733 6.941 > 11 12 Li 0.39427590401292 0.91418457972597 0.55689778006733 6.941 > 11 13 Li 0.80185197392618 0.41743841632068 0.35407294611431 6.941 > 13 14 Li 0.80185197392618 0.91743841632068 0.35407294611431 6.941 > 13 15 Li 0.19814802607382 0.41743841632068 0.14592705388569 6.941 > 15 16 Li 0.19814802607382 0.91743841632068 0.14592705388569 6.941 > 15 17 Li 0.69814802607382 0.33256158367932 0.64592705388569 6.941 > 1 18 Li 0.69814802607382 0.83256158367932 0.64592705388569 6.941 > 1 19 Li 0.30185197392618 0.33256158367932 0.85407294611431 6.941 > 3 20 Li 0.30185197392618 0.83256158367932 0.85407294611431 6.941 > 3 21 Li 0.89427590401292 0.33581542027403 0.05689778006733 6.941 > 5 22 Li 0.89427590401292 0.83581542027403 0.05689778006733 6.941 > 5 23 Li 0.10572409598708 0.33581542027403 0.44310221993267 6.941 > 7 24 Li 0.10572409598708 0.83581542027403 0.44310221993267 6.941 > 7 25 Li 0.10572409598708 0.16418457972597 0.94310221993267 6.941 > 9 26 Li 0.10572409598708 0.66418457972597 0.94310221993267 6.941 > 9 27 Li 0.89427590401292 0.16418457972597 0.55689778006733 6.941 > 11 28 Li 0.89427590401292 0.66418457972597 0.55689778006733 6.941 > 11 29 Li 0.30185197392618 0.16743841632068 0.35407294611431 6.941 > 13 30 Li 0.30185197392618 0.66743841632068 0.35407294611431 6.941 > 13 31 Li 0.69814802607382 0.16743841632068 0.14592705388569 6.941 > 15 32 Li 0.69814802607382 0.66743841632068 0.14592705388569 6.941 > 15 33 O 0.17874986177931 0.41438392567131 0.65933042146213 15.999 > 33 34 O 0.17874986177931 0.91438392567131 0.65933042146213 15.999 > 33 35 O 0.82125013822069 0.41438392567131 0.84066957853787 15.999 > 35 36 O 0.82125013822069 0.91438392567131 0.84066957853787 15.999 > 35 37 O 0.50000000000000 0.18442320309438 0.25000000000000 15.999 > 37 38 O 0.50000000000000 0.68442320309438 0.25000000000000 15.999 > 37 39 O 0.50000000000000 0.31557679690562 0.75000000000000 15.999 > 39 40 O 0.50000000000000 0.81557679690562 0.75000000000000 15.999 > 39 41 O 0.58942308584405 0.41129598482006 0.42784695703856 15.999 > 41 42 O 0.58942308584405 0.91129598482006 0.42784695703856 15.999 > 41 43 O 0.41057691415595 0.41129598482006 0.07215304296144 15.999 > 43 44 O 0.41057691415595 0.91129598482006 0.07215304296144 15.999 > 43 45 O 0.41057691415595 0.08870401517994 0.57215304296144 15.999 > 45 46 O 0.41057691415595 0.58870401517994 0.57215304296144 15.999 > 45 47 O 0.58942308584405 0.08870401517994 0.92784695703856 15.999 > 47 48 O 0.58942308584405 0.58870401517994 0.92784695703856 15.999 > 47 49 O 0.17874986177931 0.08561607432868 0.15933042146213 15.999 > 49 50 O 0.17874986177931 0.58561607432869 0.15933042146213 15.999 > 49 51 O 0.82125013822069 0.08561607432868 0.34066957853787 15.999 > 51 52 O 0.82125013822069 0.58561607432869 0.34066957853787 15.999 > 51 53 O 0.67874986177931 0.16438392567131 0.65933042146213 15.999 > 33 54 O 0.67874986177931 0.66438392567131 0.65933042146213 15.999 > 33 55 O 0.32125013822069 0.16438392567131 0.84066957853787 15.999 > 35 56 O 0.32125013822069 0.66438392567131 0.84066957853787 15.999 > 35 57 O 0.00000000000000 0.43442320309438 0.25000000000000 15.999 > 37 58 O 0.00000000000000 0.93442320309438 0.25000000000000 15.999 > 37 59 O 0.00000000000000 0.06557679690562 0.75000000000000 15.999 > 39 60 O 0.00000000000000 0.56557679690562 0.75000000000000 15.999 > 39 61 O 0.08942308584405 0.16129598482006 0.42784695703856 15.999 > 41 62 O 0.08942308584405 0.66129598482006 0.42784695703856 15.999 > 41 63 O 0.91057691415595 0.16129598482006 0.07215304296144 15.999 > 43 64 O 0.91057691415595 0.66129598482006 0.07215304296144 15.999 > 43 65 O 0.91057691415595 0.33870401517994 0.57215304296144 15.999 > 45 66 O 0.91057691415595 0.83870401517994 0.57215304296144 15.999 > 45 67 O 0.08942308584405 0.33870401517994 0.92784695703856 15.999 > 47 68 O 0.08942308584405 0.83870401517994 0.92784695703856 15.999 > 47 69 O 0.67874986177931 0.33561607432869 0.15933042146213 15.999 > 49 70 O 0.67874986177931 0.83561607432869 0.15933042146213 15.999 > 49 71 O 0.32125013822069 0.33561607432869 0.34066957853787 15.999 > 51 72 O 0.32125013822069 0.83561607432869 0.34066957853787 15.999 > 51 73 Se 0.50000000000000 0.16429855984047 0.75000000000000 78.960 > 73 74 Se 0.50000000000000 0.66429855984047 0.75000000000000 78.960 > 73 75 Se 0.50000000000000 0.33570144015953 0.25000000000000 78.960 > 75 76 Se 0.50000000000000 0.83570144015953 0.25000000000000 78.960 > 75 77 Se 0.00000000000000 0.41429855984047 0.75000000000000 78.960 > 73 78 Se 0.00000000000000 0.91429855984047 0.75000000000000 78.960 > 73 79 Se 0.00000000000000 0.08570144015953 0.25000000000000 78.960 > 75 80 Se 0.00000000000000 0.58570144015953 0.25000000000000 78.960 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2184686 0.0000000 -0.0873629 0.0000000 2.9629576 0.0000000 -0.0873610 0.0000000 3.0269014 -------------------------- Born effective charges -------------------------- 1 Li 1.1220857 0.1815382 0.1146395 0.2783842 0.8935480 -0.0703550 0.1415529 -0.1526038 0.9795771 2 Li 1.1220857 -0.1815382 0.1146395 -0.2783842 0.8935480 0.0703550 0.1415529 0.1526038 0.9795771 3 Li 1.1214949 0.0222622 -0.1795244 0.1327821 1.1540979 0.1418168 -0.2040837 -0.1521345 1.0860427 4 Li 1.1214949 -0.0222622 -0.1795244 -0.1327821 1.1540979 -0.1418168 -0.2040837 0.1521345 1.0860427 5 Li 1.1214949 0.0222622 -0.1795244 0.1327821 1.1540979 0.1418168 -0.2040837 -0.1521345 1.0860427 6 Li 1.1214949 -0.0222622 -0.1795244 -0.1327821 1.1540979 -0.1418168 -0.2040837 0.1521345 1.0860427 7 Li 1.1220857 0.1815382 0.1146395 0.2783842 0.8935480 -0.0703550 0.1415529 -0.1526038 0.9795771 8 Li 1.1220857 -0.1815382 0.1146395 -0.2783842 0.8935480 0.0703550 0.1415529 0.1526038 0.9795771 9 O -2.2226113 0.0165760 0.3987658 0.0350847 -1.1929232 0.0593173 0.3845091 -0.0126935 -1.4186957 10 O -2.2226113 -0.0165760 0.3987658 -0.0350847 -1.1929232 -0.0593173 0.3845091 0.0126935 -1.4186957 11 O -1.4315758 0.0000000 0.1048564 0.0000000 -2.1296498 0.0000000 0.1582170 0.0000000 -1.2097424 12 O -1.4315758 0.0000000 0.1048564 0.0000000 -2.1296498 0.0000000 0.1582170 0.0000000 -1.2097424 13 O -1.5354602 -0.2629140 -0.1678572 -0.2088204 -1.3694270 -0.3267504 -0.1721141 -0.4208128 -1.8299249 14 O -1.5354602 0.2629140 -0.1678572 0.2088204 -1.3694270 0.3267504 -0.1721141 0.4208128 -1.8299249 15 O -1.5354602 -0.2629140 -0.1678572 -0.2088204 -1.3694270 -0.3267504 -0.1721141 -0.4208128 -1.8299249 16 O -1.5354602 0.2629140 -0.1678572 0.2088204 -1.3694270 0.3267504 -0.1721141 0.4208128 -1.8299249 17 O -2.2226113 -0.0165760 0.3987658 -0.0350847 -1.1929232 -0.0593173 0.3845091 0.0126935 -1.4186957 18 O -2.2226113 0.0165760 0.3987658 0.0350847 -1.1929232 0.0593173 0.3845091 -0.0126935 -1.4186957 19 Se 4.4605575 0.0000000 -0.4369038 0.0000000 3.1590585 0.0000000 -0.4579456 0.0000000 3.5757442 20 Se 4.4605575 0.0000000 -0.4369038 0.0000000 3.1590585 0.0000000 -0.4579456 0.0000000 3.5757442 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 5, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 37, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 41, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 73, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (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 2026-01-07 20:11:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:11:54]------------------------- 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 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.349917785049873 -2.869152690000000 0.000000000000000 b 4.349917785049873 2.869152690000000 0.000000000000000 c -1.099841021107853 0.000000000000000 7.739448743394145 Atomic positions (fractional): 1 Li 0.03302485871518 0.36327119343245 0.64592705388569 6.941 2 Li 0.63672880656755 0.96697514128482 0.85407294611431 6.941 3 Li 0.22264506346487 0.56590674456098 0.05689778006733 6.941 4 Li 0.43409325543902 0.77735493653513 0.44310221993267 6.941 5 Li 0.77735493653513 0.43409325543902 0.94310221993267 6.941 6 Li 0.56590674456098 0.22264506346487 0.55689778006733 6.941 7 Li 0.96697514128482 0.63672880656755 0.35407294611431 6.941 8 Li 0.36327119343245 0.03302485871518 0.14592705388569 6.941 9 O 0.34998201043668 0.00751771312194 0.65933042146213 15.999 10 O 0.99248228687806 0.65001798956332 0.84066957853787 15.999 11 O 0.13115359381124 0.86884640618876 0.25000000000000 15.999 12 O 0.86884640618876 0.13115359381124 0.75000000000000 15.999 13 O 0.76683111620393 0.41201505548418 0.42784695703856 15.999 14 O 0.58798494451582 0.23316888379607 0.07215304296144 15.999 15 O 0.23316888379607 0.58798494451582 0.57215304296144 15.999 16 O 0.41201505548418 0.76683111620393 0.92784695703856 15.999 17 O 0.00751771312194 0.34998201043668 0.15933042146213 15.999 18 O 0.65001798956332 0.99248228687806 0.34066957853787 15.999 19 Se 0.17140288031905 0.82859711968095 0.75000000000000 78.960 20 Se 0.82859711968095 0.17140288031905 0.25000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.699835570099745 0.000000000000000 0.000000000000000 b 0.000000000000000 11.476610760000002 0.000000000000000 c -1.099841021107853 0.000000000000000 7.739448743394145 Atomic positions (fractional): 1 Li 0.19814802607382 0.08256158367932 0.64592705388569 6.941 > 1 2 Li 0.19814802607382 0.58256158367932 0.64592705388569 6.941 > 1 3 Li 0.80185197392618 0.08256158367932 0.85407294611431 6.941 > 3 4 Li 0.80185197392618 0.58256158367932 0.85407294611431 6.941 > 3 5 Li 0.39427590401292 0.08581542027403 0.05689778006733 6.941 > 5 6 Li 0.39427590401292 0.58581542027403 0.05689778006733 6.941 > 5 7 Li 0.60572409598708 0.08581542027403 0.44310221993267 6.941 > 7 8 Li 0.60572409598708 0.58581542027403 0.44310221993267 6.941 > 7 9 Li 0.60572409598708 0.41418457972597 0.94310221993267 6.941 > 9 10 Li 0.60572409598708 0.91418457972597 0.94310221993267 6.941 > 9 11 Li 0.39427590401292 0.41418457972597 0.55689778006733 6.941 > 11 12 Li 0.39427590401292 0.91418457972597 0.55689778006733 6.941 > 11 13 Li 0.80185197392618 0.41743841632068 0.35407294611431 6.941 > 13 14 Li 0.80185197392618 0.91743841632068 0.35407294611431 6.941 > 13 15 Li 0.19814802607382 0.41743841632068 0.14592705388569 6.941 > 15 16 Li 0.19814802607382 0.91743841632068 0.14592705388569 6.941 > 15 17 Li 0.69814802607382 0.33256158367932 0.64592705388569 6.941 > 1 18 Li 0.69814802607382 0.83256158367932 0.64592705388569 6.941 > 1 19 Li 0.30185197392618 0.33256158367932 0.85407294611431 6.941 > 3 20 Li 0.30185197392618 0.83256158367932 0.85407294611431 6.941 > 3 21 Li 0.89427590401292 0.33581542027403 0.05689778006733 6.941 > 5 22 Li 0.89427590401292 0.83581542027403 0.05689778006733 6.941 > 5 23 Li 0.10572409598708 0.33581542027403 0.44310221993267 6.941 > 7 24 Li 0.10572409598708 0.83581542027403 0.44310221993267 6.941 > 7 25 Li 0.10572409598708 0.16418457972597 0.94310221993267 6.941 > 9 26 Li 0.10572409598708 0.66418457972597 0.94310221993267 6.941 > 9 27 Li 0.89427590401292 0.16418457972597 0.55689778006733 6.941 > 11 28 Li 0.89427590401292 0.66418457972597 0.55689778006733 6.941 > 11 29 Li 0.30185197392618 0.16743841632068 0.35407294611431 6.941 > 13 30 Li 0.30185197392618 0.66743841632068 0.35407294611431 6.941 > 13 31 Li 0.69814802607382 0.16743841632068 0.14592705388569 6.941 > 15 32 Li 0.69814802607382 0.66743841632068 0.14592705388569 6.941 > 15 33 O 0.17874986177931 0.41438392567131 0.65933042146213 15.999 > 33 34 O 0.17874986177931 0.91438392567131 0.65933042146213 15.999 > 33 35 O 0.82125013822069 0.41438392567131 0.84066957853787 15.999 > 35 36 O 0.82125013822069 0.91438392567131 0.84066957853787 15.999 > 35 37 O 0.50000000000000 0.18442320309438 0.25000000000000 15.999 > 37 38 O 0.50000000000000 0.68442320309438 0.25000000000000 15.999 > 37 39 O 0.50000000000000 0.31557679690562 0.75000000000000 15.999 > 39 40 O 0.50000000000000 0.81557679690562 0.75000000000000 15.999 > 39 41 O 0.58942308584405 0.41129598482006 0.42784695703856 15.999 > 41 42 O 0.58942308584405 0.91129598482006 0.42784695703856 15.999 > 41 43 O 0.41057691415595 0.41129598482006 0.07215304296144 15.999 > 43 44 O 0.41057691415595 0.91129598482006 0.07215304296144 15.999 > 43 45 O 0.41057691415595 0.08870401517994 0.57215304296144 15.999 > 45 46 O 0.41057691415595 0.58870401517994 0.57215304296144 15.999 > 45 47 O 0.58942308584405 0.08870401517994 0.92784695703856 15.999 > 47 48 O 0.58942308584405 0.58870401517994 0.92784695703856 15.999 > 47 49 O 0.17874986177931 0.08561607432868 0.15933042146213 15.999 > 49 50 O 0.17874986177931 0.58561607432869 0.15933042146213 15.999 > 49 51 O 0.82125013822069 0.08561607432868 0.34066957853787 15.999 > 51 52 O 0.82125013822069 0.58561607432869 0.34066957853787 15.999 > 51 53 O 0.67874986177931 0.16438392567131 0.65933042146213 15.999 > 33 54 O 0.67874986177931 0.66438392567131 0.65933042146213 15.999 > 33 55 O 0.32125013822069 0.16438392567131 0.84066957853787 15.999 > 35 56 O 0.32125013822069 0.66438392567131 0.84066957853787 15.999 > 35 57 O 0.00000000000000 0.43442320309438 0.25000000000000 15.999 > 37 58 O 0.00000000000000 0.93442320309438 0.25000000000000 15.999 > 37 59 O 0.00000000000000 0.06557679690562 0.75000000000000 15.999 > 39 60 O 0.00000000000000 0.56557679690562 0.75000000000000 15.999 > 39 61 O 0.08942308584405 0.16129598482006 0.42784695703856 15.999 > 41 62 O 0.08942308584405 0.66129598482006 0.42784695703856 15.999 > 41 63 O 0.91057691415595 0.16129598482006 0.07215304296144 15.999 > 43 64 O 0.91057691415595 0.66129598482006 0.07215304296144 15.999 > 43 65 O 0.91057691415595 0.33870401517994 0.57215304296144 15.999 > 45 66 O 0.91057691415595 0.83870401517994 0.57215304296144 15.999 > 45 67 O 0.08942308584405 0.33870401517994 0.92784695703856 15.999 > 47 68 O 0.08942308584405 0.83870401517994 0.92784695703856 15.999 > 47 69 O 0.67874986177931 0.33561607432869 0.15933042146213 15.999 > 49 70 O 0.67874986177931 0.83561607432869 0.15933042146213 15.999 > 49 71 O 0.32125013822069 0.33561607432869 0.34066957853787 15.999 > 51 72 O 0.32125013822069 0.83561607432869 0.34066957853787 15.999 > 51 73 Se 0.50000000000000 0.16429855984047 0.75000000000000 78.960 > 73 74 Se 0.50000000000000 0.66429855984047 0.75000000000000 78.960 > 73 75 Se 0.50000000000000 0.33570144015953 0.25000000000000 78.960 > 75 76 Se 0.50000000000000 0.83570144015953 0.25000000000000 78.960 > 75 77 Se 0.00000000000000 0.41429855984047 0.75000000000000 78.960 > 73 78 Se 0.00000000000000 0.91429855984047 0.75000000000000 78.960 > 73 79 Se 0.00000000000000 0.08570144015953 0.25000000000000 78.960 > 75 80 Se 0.00000000000000 0.58570144015953 0.25000000000000 78.960 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2184686 0.0000000 -0.0873629 0.0000000 2.9629576 0.0000000 -0.0873610 0.0000000 3.0269014 -------------------------- Born effective charges -------------------------- 1 Li 1.1220857 0.1815382 0.1146395 0.2783842 0.8935480 -0.0703550 0.1415529 -0.1526038 0.9795771 2 Li 1.1220857 -0.1815382 0.1146395 -0.2783842 0.8935480 0.0703550 0.1415529 0.1526038 0.9795771 3 Li 1.1214949 0.0222622 -0.1795244 0.1327821 1.1540979 0.1418168 -0.2040837 -0.1521345 1.0860427 4 Li 1.1214949 -0.0222622 -0.1795244 -0.1327821 1.1540979 -0.1418168 -0.2040837 0.1521345 1.0860427 5 Li 1.1214949 0.0222622 -0.1795244 0.1327821 1.1540979 0.1418168 -0.2040837 -0.1521345 1.0860427 6 Li 1.1214949 -0.0222622 -0.1795244 -0.1327821 1.1540979 -0.1418168 -0.2040837 0.1521345 1.0860427 7 Li 1.1220857 0.1815382 0.1146395 0.2783842 0.8935480 -0.0703550 0.1415529 -0.1526038 0.9795771 8 Li 1.1220857 -0.1815382 0.1146395 -0.2783842 0.8935480 0.0703550 0.1415529 0.1526038 0.9795771 9 O -2.2226113 0.0165760 0.3987658 0.0350847 -1.1929232 0.0593173 0.3845091 -0.0126935 -1.4186957 10 O -2.2226113 -0.0165760 0.3987658 -0.0350847 -1.1929232 -0.0593173 0.3845091 0.0126935 -1.4186957 11 O -1.4315758 0.0000000 0.1048564 0.0000000 -2.1296498 0.0000000 0.1582170 0.0000000 -1.2097424 12 O -1.4315758 0.0000000 0.1048564 0.0000000 -2.1296498 0.0000000 0.1582170 0.0000000 -1.2097424 13 O -1.5354602 -0.2629140 -0.1678572 -0.2088204 -1.3694270 -0.3267504 -0.1721141 -0.4208128 -1.8299249 14 O -1.5354602 0.2629140 -0.1678572 0.2088204 -1.3694270 0.3267504 -0.1721141 0.4208128 -1.8299249 15 O -1.5354602 -0.2629140 -0.1678572 -0.2088204 -1.3694270 -0.3267504 -0.1721141 -0.4208128 -1.8299249 16 O -1.5354602 0.2629140 -0.1678572 0.2088204 -1.3694270 0.3267504 -0.1721141 0.4208128 -1.8299249 17 O -2.2226113 -0.0165760 0.3987658 -0.0350847 -1.1929232 -0.0593173 0.3845091 0.0126935 -1.4186957 18 O -2.2226113 0.0165760 0.3987658 0.0350847 -1.1929232 0.0593173 0.3845091 -0.0126935 -1.4186957 19 Se 4.4605575 0.0000000 -0.4369038 0.0000000 3.1590585 0.0000000 -0.4579456 0.0000000 3.5757442 20 Se 4.4605575 0.0000000 -0.4369038 0.0000000 3.1590585 0.0000000 -0.4579456 0.0000000 3.5757442 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 6 ] 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: 0.72, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.548 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.546 ( 0.000 0.000 0.000) 0.000 10.972 ( 0.000 0.000 0.000) 0.000 11.371 ( 0.000 0.000 0.000) 0.000 11.429 ( 0.000 0.000 0.000) 0.000 11.604 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 0.000) 0.000 12.244 ( 0.000 0.000 0.000) 0.000 12.343 ( 0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.921 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 14.587 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 15.042 ( 0.000 0.000 0.000) 0.000 15.057 ( 0.000 0.000 0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 15.691 ( 0.000 0.000 0.000) 0.000 15.749 ( 0.000 0.000 0.000) 0.000 15.801 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 16.104 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 16.410 ( 0.000 0.000 0.000) 0.000 16.785 ( 0.000 0.000 0.000) 0.000 17.121 ( 0.000 0.000 0.000) 0.000 17.262 ( 0.000 0.000 0.000) 0.000 17.857 ( 0.000 0.000 0.000) 0.000 18.604 ( 0.000 0.000 0.000) 0.000 19.540 ( 0.000 0.000 0.000) 0.000 21.198 ( 0.000 0.000 0.000) 0.000 21.376 ( 0.000 0.000 0.000) 0.000 21.586 ( 0.000 0.000 0.000) 0.000 21.888 ( 0.000 0.000 0.000) 0.000 22.250 ( 0.000 0.000 0.000) 0.000 23.250 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 22.291 -23.347 11.678) 34.327 0.776 ( 14.062 -33.791 11.110) 38.249 1.369 ( 47.305 -45.696 1.092) 65.780 3.578 ( -1.924 3.818 2.487) 4.946 3.737 ( 12.679 -6.858 -4.891) 15.222 5.002 ( -2.772 9.269 -1.561) 9.800 5.508 ( 4.346 -3.531 -0.974) 5.684 6.099 ( 1.625 9.997 -4.480) 11.074 7.147 ( 4.208 25.287 -2.449) 25.751 7.335 ( -2.586 3.821 0.753) 4.675 7.399 ( 0.171 -0.892 -1.538) 1.786 7.482 ( 16.521 17.333 -8.670) 25.467 7.563 ( 7.830 -2.370 -2.540) 8.566 7.907 ( 6.997 -5.350 -8.592) 12.305 8.176 ( 4.276 0.540 -6.383) 7.701 8.360 ( -2.352 -2.938 2.295) 4.408 8.890 ( 0.922 4.882 0.712) 5.019 9.152 ( -1.534 -0.959 1.315) 2.237 9.265 ( -1.546 -0.685 1.176) 2.060 9.533 ( -2.950 -0.560 0.574) 3.057 10.350 ( 4.576 1.094 -1.839) 5.052 10.417 ( 4.992 -0.676 0.082) 5.039 10.679 ( 5.269 -2.144 7.013) 9.030 11.052 ( 7.855 -2.316 0.565) 8.209 11.421 ( 6.275 -0.270 -2.143) 6.636 11.566 ( 4.519 3.023 -12.617) 13.739 11.652 ( 1.143 -1.717 5.101) 5.502 11.898 ( 5.084 -2.066 -3.562) 6.543 12.217 ( -4.975 -0.663 0.443) 5.039 12.325 ( -0.120 1.675 0.439) 1.736 12.623 ( 2.017 4.975 0.473) 5.389 12.711 ( 12.813 8.233 -11.020) 18.799 13.336 ( 4.784 0.931 -11.904) 12.863 13.769 ( -0.955 2.779 -0.321) 2.956 13.915 ( -2.611 4.659 0.037) 5.341 13.989 ( -23.604 -4.818 -25.114) 34.800 14.784 ( 1.965 6.073 8.080) 10.298 14.908 ( 15.846 8.651 14.313) 23.039 14.996 ( -4.148 2.156 -3.549) 5.870 15.121 ( 0.579 -3.990 1.827) 4.427 15.513 ( -10.984 3.050 6.587) 13.166 15.695 ( -1.487 6.698 -2.472) 7.293 15.788 ( 6.057 4.402 -3.424) 8.233 15.921 ( 1.150 3.228 -2.347) 4.153 16.104 ( -2.358 -1.690 -1.464) 3.249 16.250 ( 3.177 -7.385 -0.100) 8.040 16.506 ( 4.461 -6.988 1.850) 8.495 16.838 ( -4.610 -10.488 1.651) 11.574 17.109 ( -3.065 -1.831 -4.218) 5.526 17.244 ( 5.372 1.732 0.823) 5.704 17.703 ( -28.721 -16.154 16.721) 36.952 17.948 ( 8.370 -3.437 -1.331) 9.146 19.339 ( 76.187 48.781 -44.107) 100.646 19.570 ( 0.677 -2.497 2.238) 3.421 21.235 ( -0.587 -4.447 0.504) 4.514 21.450 ( 7.270 0.060 9.647) 12.079 21.899 ( 1.170 -0.151 1.879) 2.219 22.017 ( 0.866 -1.228 4.067) 4.336 23.198 ( -3.460 3.549 0.521) 4.984 23.963 ( -33.220 -16.591 10.033) 38.465 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 23.628 -22.278 11.196) 34.350 1.529 ( 13.951 -31.850 10.880) 36.434 2.651 ( 41.580 -41.068 3.054) 58.522 3.444 ( -5.108 7.275 8.144) 12.056 4.059 ( 16.371 -8.906 -8.071) 20.309 4.772 ( -1.037 11.203 -9.063) 14.447 5.617 ( 2.332 -0.654 -0.372) 2.450 5.920 ( 5.091 8.753 -12.034) 15.727 6.703 ( -6.330 22.570 1.328) 23.478 7.209 ( -6.751 4.749 3.272) 8.879 7.273 ( -5.314 10.504 3.608) 12.312 7.508 ( 10.534 -2.000 0.249) 10.725 7.682 ( 2.639 -3.862 -0.661) 4.724 8.045 ( 3.509 -3.791 -6.818) 8.554 8.131 ( -0.498 3.583 -8.082) 8.855 8.407 ( -0.964 -1.792 5.287) 5.664 8.853 ( 1.720 0.664 1.268) 2.238 9.130 ( -3.205 0.213 1.427) 3.515 9.254 ( -4.106 -1.832 1.614) 4.777 9.535 ( -2.305 -2.757 1.896) 4.063 10.390 ( 9.778 3.724 -0.942) 10.505 10.501 ( 6.581 -1.760 -2.020) 7.106 10.838 ( 6.524 -5.868 5.037) 10.118 11.191 ( 5.892 -4.075 -4.100) 8.254 11.525 ( -3.109 -4.278 -1.009) 5.384 11.538 ( 14.490 7.679 -8.790) 18.606 11.677 ( -2.097 -2.245 9.825) 10.294 12.043 ( 10.492 -3.884 -5.783) 12.594 12.175 ( -4.632 -1.163 1.966) 5.165 12.304 ( -0.687 -0.357 0.005) 0.774 12.486 ( 1.779 11.529 -2.490) 11.928 12.731 ( 9.151 3.123 -7.370) 12.157 13.339 ( -1.213 0.771 -1.110) 1.816 13.679 ( -16.459 2.925 2.301) 16.874 13.742 ( -2.625 3.926 -11.794) 12.705 13.773 ( -3.497 6.551 0.170) 7.427 14.685 ( -6.419 2.922 2.072) 7.351 14.859 ( 2.957 10.109 -3.383) 11.063 14.962 ( 3.083 0.453 7.193) 7.839 15.215 ( -1.358 -4.376 5.272) 6.985 15.356 ( -12.435 0.088 6.983) 14.262 15.523 ( -2.666 8.219 -3.736) 9.414 15.766 ( 1.102 2.696 -2.335) 3.733 15.875 ( 7.978 7.042 -2.486) 10.928 16.106 ( -5.836 -3.792 -4.941) 8.535 16.412 ( 2.203 -6.892 1.154) 7.327 16.696 ( 4.216 -7.192 3.796) 9.160 16.982 ( -1.611 -9.246 2.299) 9.663 17.144 ( 2.489 -4.316 -5.835) 7.673 17.301 ( 5.418 -1.486 -1.337) 5.775 17.687 ( -14.126 -7.641 8.694) 18.262 18.129 ( 10.387 -4.143 0.613) 11.200 19.275 ( 32.515 23.580 -23.163) 46.366 19.631 ( -1.076 -3.562 4.175) 5.593 21.331 ( -0.216 -6.642 0.971) 6.716 21.589 ( 8.858 -3.564 6.003) 11.278 21.919 ( 1.283 0.113 3.228) 3.475 22.078 ( 0.004 -4.746 1.249) 4.908 23.058 ( -6.096 6.050 0.668) 8.614 23.857 ( -17.778 -4.056 0.655) 18.246 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 24.710 -18.971 9.519) 32.574 2.225 ( 11.787 -28.013 11.141) 32.370 3.201 ( -6.201 8.312 16.738) 19.690 3.770 ( 30.318 -31.359 2.271) 43.678 4.232 ( 5.597 5.480 -6.223) 10.004 4.667 ( 0.917 -2.470 -20.743) 20.909 5.511 ( 1.408 6.662 -7.857) 10.397 5.994 ( 12.524 -2.830 -11.404) 17.173 6.267 ( -6.018 18.338 2.847) 19.509 6.977 ( -12.086 9.352 4.203) 15.849 7.070 ( -7.525 5.397 9.973) 13.609 7.701 ( 14.225 -2.547 1.907) 14.576 7.725 ( -1.569 0.582 0.847) 1.876 7.996 ( -1.500 4.127 -11.161) 11.994 8.132 ( 5.600 2.617 -0.171) 6.184 8.447 ( -2.963 -6.011 4.285) 7.954 8.856 ( -4.650 -0.322 3.100) 5.598 9.107 ( -0.432 -0.808 -1.215) 1.522 9.263 ( -4.254 -4.739 2.082) 6.700 9.560 ( -0.640 -1.199 1.915) 2.348 10.449 ( 10.556 2.438 -0.628) 10.852 10.616 ( 6.922 -2.347 -1.571) 7.476 11.027 ( 7.445 -5.499 6.200) 11.140 11.245 ( -3.933 0.350 -6.761) 7.830 11.473 ( -1.024 2.855 -3.201) 4.410 11.608 ( 9.993 -0.486 -5.960) 11.646 11.766 ( 2.037 -4.331 7.576) 8.961 12.130 ( -3.535 -0.199 7.934) 8.688 12.180 ( -2.522 6.630 -5.677) 9.086 12.260 ( 10.446 3.515 -4.865) 12.047 12.426 ( 4.024 -4.683 -2.054) 6.507 12.779 ( 9.196 2.110 -7.353) 11.961 13.247 ( -9.439 4.129 1.923) 10.481 13.385 ( -14.159 5.250 2.131) 15.250 13.632 ( -2.260 5.156 1.249) 5.766 13.727 ( 4.538 1.095 -5.297) 7.060 14.549 ( -12.425 0.354 1.519) 12.522 14.740 ( 5.009 7.612 -2.733) 9.513 14.990 ( 5.591 2.588 1.814) 6.422 15.169 ( -10.676 2.846 11.094) 15.657 15.278 ( -8.822 -3.394 6.420) 11.427 15.405 ( 2.613 3.526 -4.638) 6.385 15.714 ( 0.682 3.838 -5.254) 6.542 15.821 ( -3.389 3.223 -0.349) 4.690 16.098 ( -1.460 -2.357 -7.035) 7.561 16.534 ( 0.699 -4.900 1.814) 5.271 16.850 ( 2.917 -5.149 4.551) 7.466 17.111 ( -0.212 -5.967 2.109) 6.332 17.273 ( 4.157 -4.776 -3.218) 7.102 17.443 ( 10.644 -5.775 -4.435) 12.896 17.663 ( -8.570 -3.188 4.382) 10.139 18.296 ( 6.942 -1.843 2.614) 7.643 19.212 ( 18.114 12.401 -15.815) 27.056 19.662 ( -4.821 -2.605 5.298) 7.622 21.451 ( 0.655 -6.229 0.976) 6.339 21.782 ( 8.726 -5.462 3.621) 10.913 21.933 ( 1.163 0.413 3.488) 3.700 22.180 ( 0.906 -5.772 0.957) 5.920 22.864 ( -7.396 6.921 0.591) 10.146 23.711 ( -11.808 0.525 -2.641) 12.111 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 14.314 -2.984 4.263) 15.230 2.746 ( 3.713 -19.744 14.349) 24.688 3.171 ( 7.965 -8.114 11.596) 16.240 4.021 ( 0.718 13.783 -9.161) 16.565 4.315 ( -7.143 0.714 1.170) 7.273 4.789 ( 8.318 -17.563 -14.846) 24.455 5.586 ( 13.842 -4.484 -8.797) 17.003 5.955 ( -1.635 10.704 -0.866) 10.863 6.162 ( 8.047 -1.921 -6.122) 10.292 6.682 ( -11.631 8.637 4.623) 15.207 6.921 ( -6.630 3.668 10.382) 12.853 7.638 ( -2.908 4.719 1.844) 5.842 7.882 ( 12.928 2.450 -6.193) 14.543 7.918 ( -4.925 -1.965 3.321) 6.257 8.179 ( 12.034 1.524 -3.043) 12.506 8.493 ( -10.360 -3.902 0.766) 11.097 8.808 ( -3.858 -2.076 5.643) 7.144 9.115 ( 0.656 0.607 -2.621) 2.769 9.317 ( -2.261 -4.639 1.143) 5.286 9.564 ( -0.077 0.274 1.026) 1.064 10.548 ( 9.577 -0.255 0.573) 9.597 10.716 ( 4.132 -1.517 -0.278) 4.410 11.086 ( -6.191 4.828 -2.454) 8.225 11.240 ( 3.692 -6.539 4.736) 8.878 11.420 ( 0.789 0.930 -3.544) 3.748 11.754 ( 8.040 -3.021 -6.861) 10.992 11.854 ( 1.045 -1.696 3.794) 4.285 11.921 ( -5.309 10.161 -5.449) 12.693 12.101 ( -3.957 0.501 10.581) 11.308 12.357 ( 10.695 1.976 -4.974) 11.959 12.583 ( 0.301 -8.639 -4.280) 9.646 12.835 ( 8.668 3.502 -5.251) 10.723 13.014 ( -12.257 3.677 4.127) 13.446 13.233 ( -4.317 2.187 2.066) 5.262 13.530 ( -2.318 4.104 1.876) 5.073 13.783 ( 7.021 -0.227 -3.570) 7.880 14.409 ( -10.425 0.308 1.014) 10.479 14.687 ( 0.986 2.474 -0.850) 2.796 14.977 ( -1.958 4.080 -0.314) 4.537 15.067 ( 4.636 2.271 5.854) 7.805 15.256 ( -8.673 -4.530 8.130) 12.722 15.404 ( 3.819 1.092 -0.726) 4.038 15.609 ( -2.669 5.806 -10.868) 12.608 15.716 ( -6.728 0.214 2.766) 7.277 16.131 ( 1.500 -1.635 -4.530) 5.044 16.604 ( 0.014 -2.438 1.246) 2.738 16.960 ( 2.473 -2.954 3.712) 5.350 17.190 ( -0.172 -3.061 0.950) 3.209 17.363 ( 1.090 -2.812 -1.558) 3.395 17.617 ( -3.861 -0.092 0.430) 3.886 17.708 ( 12.437 -7.530 -2.811) 14.808 18.320 ( -1.117 3.401 2.604) 4.427 19.236 ( 12.933 3.160 -9.681) 16.461 19.624 ( -7.616 -0.587 5.064) 9.165 21.552 ( 0.848 -3.828 0.492) 3.952 21.918 ( -0.204 -1.249 0.775) 1.484 21.996 ( 7.921 -3.233 3.472) 9.233 22.287 ( 1.187 -4.366 0.383) 4.541 22.667 ( -6.626 5.836 0.630) 8.852 23.578 ( -6.525 1.526 -2.646) 7.204 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -0.000 -0.000 -0.000) 0.000 3.024 ( -0.000 -0.000 -0.000) 0.000 3.433 ( -0.000 -0.000 0.000) 0.000 3.831 ( 0.000 -0.000 0.000) 0.000 4.129 ( 0.000 -0.000 0.000) 0.000 5.054 ( 0.000 -0.000 0.000) 0.000 5.735 ( -0.000 -0.000 0.000) 0.000 5.858 ( -0.000 -0.000 0.000) 0.000 6.222 ( 0.000 -0.000 0.000) 0.000 6.508 ( 0.000 -0.000 -0.000) 0.000 6.855 ( 0.000 -0.000 -0.000) 0.000 7.571 ( -0.000 -0.000 0.000) 0.000 7.878 ( -0.000 -0.000 0.000) 0.000 7.957 ( 0.000 0.000 -0.000) 0.000 8.326 ( -0.000 -0.000 0.000) 0.000 8.366 ( 0.000 -0.000 -0.000) 0.000 8.835 ( 0.000 -0.000 -0.000) 0.000 9.103 ( 0.000 -0.000 0.000) 0.000 9.349 ( 0.000 -0.000 0.000) 0.000 9.561 ( 0.000 -0.000 0.000) 0.000 10.630 ( -0.000 -0.000 -0.000) 0.000 10.752 ( 0.000 -0.000 0.000) 0.000 10.977 ( 0.000 -0.000 0.000) 0.000 11.313 ( 0.000 -0.000 -0.000) 0.000 11.487 ( -0.000 -0.000 0.000) 0.000 11.697 ( 0.000 -0.000 -0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 11.889 ( 0.000 -0.000 -0.000) 0.000 12.076 ( 0.000 -0.000 -0.000) 0.000 12.401 ( -0.000 -0.000 0.000) 0.000 12.683 ( 0.000 -0.000 -0.000) 0.000 12.777 ( 0.000 -0.000 0.000) 0.000 12.966 ( 0.000 -0.000 0.000) 0.000 13.191 ( 0.000 -0.000 0.000) 0.000 13.470 ( 0.000 -0.000 -0.000) 0.000 13.837 ( -0.000 -0.000 0.000) 0.000 14.336 ( 0.000 -0.000 -0.000) 0.000 14.671 ( -0.000 -0.000 0.000) 0.000 14.914 ( 0.000 -0.000 -0.000) 0.000 15.100 ( 0.000 -0.000 -0.000) 0.000 15.259 ( -0.000 -0.000 0.000) 0.000 15.460 ( -0.000 0.000 -0.000) 0.000 15.468 ( 0.000 -0.000 0.000) 0.000 15.680 ( 0.000 -0.000 0.000) 0.000 16.153 ( 0.000 -0.000 0.000) 0.000 16.626 ( -0.000 -0.000 -0.000) 0.000 17.007 ( 0.000 -0.000 0.000) 0.000 17.217 ( 0.000 -0.000 -0.000) 0.000 17.394 ( 0.000 -0.000 0.000) 0.000 17.590 ( 0.000 -0.000 0.000) 0.000 17.886 ( 0.000 -0.000 -0.000) 0.000 18.243 ( -0.000 0.000 0.000) 0.000 19.300 ( 0.000 -0.000 -0.000) 0.000 19.570 ( -0.000 -0.000 0.000) 0.000 21.593 ( 0.000 -0.000 0.000) 0.000 21.922 ( 0.000 -0.000 0.000) 0.000 22.095 ( 0.000 -0.000 -0.000) 0.000 22.338 ( 0.000 -0.000 0.000) 0.000 22.560 ( 0.000 -0.000 0.000) 0.000 23.521 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 36.678 0.000 -3.660) 36.860 0.978 ( 42.276 0.000 -0.009) 42.276 1.641 ( 66.247 0.000 22.839) 70.074 3.716 ( 5.721 0.000 6.574) 8.715 3.780 ( 18.259 0.000 -13.115) 22.481 5.011 ( -8.448 -0.000 -1.240) 8.538 5.547 ( 8.170 0.000 -2.935) 8.681 6.239 ( 5.448 0.000 -6.953) 8.833 7.243 ( -8.980 -0.000 -0.402) 8.989 7.314 ( -6.762 -0.000 2.368) 7.165 7.331 ( -13.862 -0.000 -5.303) 14.842 7.522 ( -15.563 -0.000 7.517) 17.283 7.566 ( 5.690 0.000 6.266) 8.464 8.251 ( 7.335 0.000 -21.603) 22.814 8.257 ( -7.145 -0.000 1.455) 7.291 8.275 ( 6.363 0.000 -16.606) 17.783 8.941 ( -0.737 -0.000 1.839) 1.981 9.144 ( -0.598 -0.000 2.810) 2.873 9.234 ( -2.556 -0.000 3.350) 4.214 9.458 ( -8.444 -0.000 1.172) 8.525 10.473 ( 14.686 0.000 -7.611) 16.541 10.559 ( 15.236 0.000 6.137) 16.425 10.705 ( 1.302 0.000 3.218) 3.471 11.111 ( 6.968 0.000 -1.765) 7.188 11.410 ( -1.497 -0.000 1.528) 2.139 11.596 ( -1.226 -0.000 -3.729) 3.925 11.683 ( 6.352 0.000 1.355) 6.495 12.076 ( 16.783 0.000 -13.272) 21.396 12.139 ( -6.035 -0.000 -2.110) 6.393 12.331 ( -0.940 -0.000 -0.143) 0.951 12.689 ( 3.334 0.000 0.535) 3.377 12.969 ( 3.276 0.000 2.697) 4.243 13.497 ( 8.089 0.000 -60.266) 60.806 13.581 ( -11.709 -0.000 3.511) 12.224 13.747 ( -6.485 -0.000 1.983) 6.781 13.914 ( -4.655 -0.000 -2.048) 5.086 14.804 ( -13.319 -0.000 -0.325) 13.323 14.870 ( 2.683 0.000 -1.501) 3.074 15.021 ( -4.095 -0.000 7.483) 8.530 15.249 ( -6.631 -0.000 2.047) 6.940 15.579 ( -6.764 -0.000 1.890) 7.023 15.598 ( -4.072 -0.000 2.775) 4.928 15.890 ( -1.988 -0.000 -1.839) 2.708 15.924 ( 6.426 0.000 -12.873) 14.387 16.163 ( 3.162 0.000 -0.380) 3.185 16.249 ( 10.720 0.000 -1.094) 10.776 16.490 ( 2.435 0.000 4.335) 4.972 16.663 ( -3.413 -0.000 8.946) 9.575 17.085 ( 4.086 0.000 -6.000) 7.259 17.324 ( 2.405 0.000 -0.443) 2.446 17.334 ( -8.560 -0.000 17.064) 19.090 18.067 ( 15.974 0.000 -1.174) 16.017 19.558 ( 0.866 0.000 5.391) 5.460 20.592 ( 11.899 0.000 -98.807) 99.521 21.203 ( 0.807 0.000 -3.491) 3.583 21.588 ( -0.073 -0.000 1.501) 1.502 21.900 ( 1.001 0.000 0.423) 1.086 22.230 ( -1.578 -0.000 -0.633) 1.700 23.081 ( -12.380 -0.000 72.204) 73.258 23.171 ( -6.816 -0.000 0.307) 6.823 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 32.952 -9.342 7.071) 34.973 1.616 ( 39.287 -13.092 -1.353) 41.433 2.637 ( 55.427 -23.318 16.848) 62.448 3.666 ( 8.213 12.662 6.018) 16.248 4.108 ( 20.898 -8.503 -13.201) 26.140 4.834 ( -11.558 5.617 -4.233) 13.530 5.657 ( 7.578 -0.909 -4.003) 8.618 6.164 ( 7.137 12.374 -11.809) 18.534 6.926 ( -15.387 15.333 -1.336) 21.763 7.183 ( -10.104 2.816 3.255) 10.983 7.261 ( -11.983 -1.090 3.750) 12.604 7.432 ( -9.073 -9.139 3.021) 13.228 7.655 ( 5.077 -1.399 7.342) 9.036 8.142 ( -2.924 3.382 -3.008) 5.388 8.194 ( 9.801 7.033 -17.512) 21.265 8.371 ( 1.218 -3.460 -1.418) 3.932 8.901 ( -1.380 2.624 3.408) 4.518 9.116 ( -3.237 0.956 2.592) 4.256 9.197 ( -3.644 1.064 3.326) 5.047 9.424 ( -4.680 -5.133 2.650) 7.435 10.615 ( 12.392 2.810 -2.679) 12.986 10.638 ( 16.548 6.339 -5.781) 18.640 10.873 ( 12.704 -4.954 4.411) 14.331 11.185 ( 3.992 -1.292 -4.456) 6.121 11.424 ( -2.666 -2.424 1.123) 3.774 11.604 ( 0.758 -2.956 3.326) 4.514 11.777 ( 6.978 1.301 0.077) 7.098 12.048 ( -6.086 -1.562 -2.589) 6.795 12.244 ( 17.986 3.202 -9.750) 20.708 12.315 ( 1.930 0.974 -1.287) 2.516 12.678 ( 2.932 6.329 0.042) 6.975 12.923 ( 6.455 7.509 -2.588) 10.235 13.371 ( -1.065 4.099 -4.308) 6.041 13.502 ( -13.866 0.717 -8.015) 16.031 13.706 ( -4.628 -2.938 -6.250) 8.313 13.811 ( -5.806 3.728 -1.863) 7.147 14.592 ( -14.174 3.452 -2.617) 14.821 14.910 ( 1.482 -1.684 2.811) 3.596 15.035 ( -9.972 -4.491 5.671) 12.319 15.184 ( 0.468 0.732 -0.673) 1.099 15.338 ( -0.613 11.682 6.174) 13.227 15.595 ( -4.395 3.141 -0.738) 5.452 15.805 ( -4.936 3.111 -0.927) 5.907 15.935 ( -1.663 -1.330 -13.316) 13.485 16.160 ( 7.637 8.441 1.019) 11.429 16.336 ( 1.926 -2.817 1.194) 3.616 16.571 ( -1.890 -8.023 1.995) 8.481 16.785 ( -1.357 -11.725 6.022) 13.250 17.175 ( 11.139 -0.425 -1.484) 11.246 17.339 ( 5.031 -1.306 -5.225) 7.370 17.393 ( -8.940 -9.836 9.320) 16.234 18.270 ( 18.324 0.041 0.466) 18.330 19.583 ( 0.066 -0.109 7.573) 7.574 20.141 ( 17.372 36.847 -45.236) 60.875 21.234 ( 0.297 -4.055 -1.324) 4.276 21.635 ( 4.728 -3.569 2.795) 6.550 21.948 ( 2.076 -2.691 1.708) 3.804 22.077 ( 2.169 6.498 7.526) 10.177 23.046 ( -9.859 2.885 1.054) 10.327 23.375 ( -20.016 -22.611 18.178) 35.247 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 27.523 -18.210 10.728) 34.702 2.282 ( 36.420 -12.737 -0.424) 38.586 3.469 ( 9.861 14.381 15.677) 23.448 3.685 ( 38.220 -21.598 8.930) 44.799 4.411 ( 16.350 -0.462 -11.870) 20.210 4.571 ( -13.856 4.837 -12.484) 19.267 5.654 ( 4.662 6.465 -8.738) 11.827 6.110 ( 12.364 2.974 -14.101) 18.988 6.484 ( -11.279 15.993 -0.309) 19.573 6.987 ( -11.601 6.665 4.304) 14.054 7.052 ( -14.332 3.799 8.773) 17.228 7.572 ( -7.508 -10.357 4.604) 13.595 7.763 ( 4.077 -3.560 6.590) 8.527 8.071 ( 4.648 4.338 -6.889) 9.374 8.210 ( 6.304 0.317 -8.418) 10.522 8.379 ( -3.713 -0.129 -0.154) 3.718 8.846 ( -2.675 2.444 5.670) 6.729 9.088 ( -1.302 -1.972 1.129) 2.619 9.152 ( -3.735 -0.625 2.716) 4.660 9.491 ( -1.923 -4.938 2.766) 5.977 10.672 ( 14.151 5.580 -4.078) 15.749 10.737 ( 13.865 2.961 -5.096) 15.066 11.089 ( 11.379 -1.672 8.917) 14.553 11.210 ( -1.261 1.009 -6.819) 7.008 11.429 ( -0.634 -2.585 -2.036) 3.351 11.705 ( 0.870 -5.202 6.317) 8.230 11.760 ( 4.092 5.634 -4.104) 8.083 12.070 ( -1.268 -4.243 -0.658) 4.477 12.246 ( -1.949 2.971 -0.668) 3.616 12.417 ( 13.161 4.082 -6.652) 15.301 12.572 ( 8.643 8.726 -2.581) 12.551 12.908 ( 7.278 2.140 -5.223) 9.210 13.210 ( -12.850 5.676 3.579) 14.497 13.341 ( -5.311 3.495 -1.634) 6.565 13.665 ( -4.726 2.042 -2.531) 5.737 13.731 ( -0.599 -1.888 -2.606) 3.273 14.390 ( -12.366 1.170 -2.866) 12.748 14.890 ( -3.646 5.951 4.877) 8.514 14.996 ( -10.675 -6.179 7.811) 14.600 15.170 ( -3.042 1.297 1.471) 3.620 15.215 ( 7.142 6.687 2.041) 9.995 15.466 ( -2.664 4.533 -2.645) 5.886 15.713 ( -6.355 -0.011 3.158) 7.097 15.880 ( -0.238 4.515 -16.969) 17.561 16.086 ( 1.809 3.861 1.555) 4.539 16.422 ( -2.529 -6.507 3.125) 7.648 16.709 ( -2.369 -9.641 0.162) 9.929 16.979 ( -0.375 -10.104 4.213) 10.954 17.271 ( 2.135 -1.285 2.085) 3.249 17.455 ( -5.785 -7.792 4.362) 10.640 17.531 ( 17.525 -4.011 -8.795) 20.013 18.459 ( 16.885 3.094 2.541) 17.354 19.542 ( -1.497 6.589 3.264) 7.504 19.757 ( 10.980 18.559 -17.621) 27.848 21.340 ( 0.634 -7.214 -1.423) 7.381 21.780 ( 4.860 -5.026 0.817) 7.039 22.013 ( 5.968 2.245 7.696) 9.994 22.087 ( 0.455 -5.078 0.983) 5.192 22.860 ( -11.039 4.362 0.842) 11.899 23.449 ( -16.980 -10.508 3.516) 20.275 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 23.178 -18.459 9.633) 31.156 2.815 ( 27.735 0.308 1.944) 27.805 3.309 ( 9.904 9.240 11.521) 17.782 4.228 ( -9.462 5.774 -4.346) 11.906 4.342 ( 10.132 10.138 -3.287) 14.705 4.586 ( 15.413 -16.277 -7.763) 23.723 5.680 ( 12.824 -0.547 -11.601) 17.302 6.099 ( -5.442 9.525 -6.042) 12.524 6.226 ( 4.122 2.494 -3.798) 6.135 6.724 ( -8.625 8.850 1.810) 12.490 6.883 ( -10.584 0.809 8.180) 13.401 7.576 ( -10.727 -2.016 7.354) 13.161 7.812 ( -6.785 -1.990 9.279) 11.666 8.087 ( 10.185 4.133 -8.832) 14.101 8.303 ( 9.361 -2.273 -5.124) 10.911 8.326 ( -7.436 -1.148 -2.156) 7.827 8.790 ( -0.370 1.303 7.240) 7.366 9.119 ( -0.061 -0.054 1.146) 1.149 9.184 ( -1.875 -7.278 0.620) 7.542 9.532 ( -2.624 -2.126 1.498) 3.695 10.737 ( 13.477 4.951 -2.191) 14.523 10.825 ( 11.147 3.237 -2.241) 11.822 11.075 ( -7.450 4.934 -4.561) 10.032 11.239 ( 6.934 -1.807 8.702) 11.273 11.483 ( 5.111 1.374 0.969) 5.381 11.738 ( 1.625 -1.460 -9.406) 9.656 11.821 ( 2.815 -5.175 2.354) 6.343 12.062 ( -5.502 7.086 -0.515) 8.986 12.081 ( -3.250 6.149 2.734) 7.473 12.470 ( 3.048 -3.777 -3.534) 6.004 12.580 ( 11.897 6.913 -8.066) 15.950 12.941 ( -4.710 4.317 2.318) 6.796 13.035 ( 8.134 1.977 -4.047) 9.298 13.223 ( -4.686 2.465 1.528) 5.511 13.563 ( -4.569 3.764 0.742) 5.966 13.779 ( -1.557 -3.261 -1.225) 3.816 14.274 ( -6.365 -1.356 -2.156) 6.856 14.731 ( -6.429 4.216 7.286) 10.592 14.969 ( -10.105 -3.263 8.384) 13.530 15.080 ( -5.004 2.425 -2.987) 6.312 15.258 ( 10.974 3.183 2.226) 11.641 15.412 ( 0.394 -0.867 -0.930) 1.331 15.633 ( -7.233 1.822 0.088) 7.459 15.759 ( 4.909 7.194 -11.254) 14.230 16.086 ( -1.397 -2.380 -0.579) 2.820 16.503 ( -4.124 -6.390 3.583) 8.407 16.834 ( -4.254 -8.638 -0.621) 9.648 17.134 ( 0.930 -6.342 3.891) 7.499 17.314 ( -0.405 -2.884 -0.765) 3.011 17.498 ( -6.897 -5.572 3.088) 9.389 17.819 ( 21.570 -2.544 -8.367) 23.275 18.500 ( 9.152 10.982 2.064) 14.444 19.393 ( -0.480 6.387 0.166) 6.408 19.640 ( 4.382 5.668 -3.086) 7.801 21.474 ( 1.101 -6.688 -1.912) 7.042 21.885 ( 0.649 -2.786 0.442) 2.894 22.078 ( 8.314 0.683 4.272) 9.372 22.205 ( 0.930 -5.965 0.421) 6.052 22.665 ( -9.537 3.832 2.481) 10.574 23.418 ( -12.631 -6.440 -0.952) 14.210 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 10.995 17.268 4.180) 20.894 3.017 ( 12.920 -6.561 -0.185) 14.492 3.453 ( 7.880 -2.022 3.263) 8.765 4.051 ( 5.969 18.640 -9.455) 21.737 4.129 ( 3.695 -1.710 -2.397) 4.724 5.012 ( 7.600 -8.539 5.769) 12.804 5.782 ( 1.623 3.341 -3.757) 5.283 5.875 ( -6.126 5.831 -0.491) 8.472 6.207 ( -3.390 0.501 1.437) 3.716 6.552 ( 1.872 3.600 -4.456) 6.026 6.824 ( -1.849 -2.118 -2.938) 4.066 7.478 ( -11.167 -1.901 7.806) 13.757 7.773 ( -8.577 -2.697 10.691) 13.969 8.065 ( -1.869 4.280 -6.348) 7.881 8.200 ( -5.695 2.398 -4.347) 7.555 8.495 ( 13.961 -2.510 -2.902) 14.478 8.835 ( 3.520 -2.026 4.347) 5.949 9.110 ( -0.981 0.711 1.126) 1.654 9.298 ( 0.713 -5.638 -0.724) 5.729 9.521 ( -4.054 -1.529 0.246) 4.340 10.735 ( 2.841 8.521 -0.555) 8.999 10.865 ( 7.907 6.989 1.349) 10.639 10.950 ( -0.192 -1.784 -2.714) 3.253 11.338 ( 3.684 -0.451 3.835) 5.337 11.519 ( 3.758 0.570 4.919) 6.216 11.759 ( -3.351 4.640 -7.527) 9.456 11.807 ( -1.058 2.598 -0.070) 2.806 11.951 ( 2.329 2.845 -2.271) 4.321 11.991 ( -3.380 -4.063 1.320) 5.448 12.460 ( -3.652 3.994 -1.789) 5.700 12.649 ( 7.752 -1.503 -4.510) 9.093 12.833 ( 0.941 2.898 3.757) 4.837 13.088 ( 7.328 5.669 -5.437) 10.742 13.197 ( 2.819 -0.314 0.028) 2.837 13.453 ( -4.132 1.118 0.299) 4.291 13.751 ( -10.770 -1.967 2.399) 11.207 14.292 ( 0.108 -4.162 -0.634) 4.211 14.658 ( -4.529 -0.873 6.111) 7.656 14.932 ( -5.248 -1.950 5.156) 7.611 15.001 ( -1.288 0.238 -6.044) 6.185 15.298 ( 1.876 0.630 2.895) 3.506 15.473 ( 1.813 2.544 -6.389) 7.112 15.537 ( 6.262 1.354 0.976) 6.481 15.727 ( 5.146 2.101 -2.960) 6.298 16.108 ( -3.212 -2.701 2.039) 4.666 16.558 ( -4.405 -4.883 2.877) 7.178 16.898 ( -6.492 -5.888 -3.022) 9.271 17.226 ( 1.193 -1.996 3.581) 4.270 17.362 ( -0.615 -3.069 -1.552) 3.493 17.522 ( -4.156 -4.739 1.796) 6.554 18.004 ( 11.025 5.959 -5.521) 13.695 18.359 ( 5.712 9.285 -1.654) 11.027 19.273 ( -8.743 4.112 8.709) 13.007 19.653 ( 9.756 1.375 -4.178) 10.701 21.573 ( 1.091 -3.253 -2.159) 4.054 21.914 ( -0.196 -0.862 0.578) 1.056 22.124 ( 0.786 3.021 -0.748) 3.210 22.294 ( -0.219 -4.072 -2.411) 4.738 22.560 ( -1.829 0.216 5.854) 6.136 23.418 ( -6.626 -7.199 -0.532) 9.799 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -12.444 15.060 -4.191) 19.981 3.050 ( 15.656 11.262 -13.254) 23.401 3.437 ( 8.885 21.074 -6.830) 23.868 3.888 ( 3.691 -3.675 6.410) 8.259 4.385 ( 11.167 -3.245 -1.387) 11.712 4.990 ( -6.676 11.585 14.726) 19.891 5.546 ( -15.081 8.348 6.011) 18.255 5.823 ( 0.527 -4.500 -2.050) 4.973 6.111 ( -10.318 2.707 6.682) 12.587 6.674 ( 11.830 -6.914 -6.670) 15.240 6.900 ( 6.156 -4.431 -12.368) 14.508 7.465 ( -8.610 -9.104 5.170) 13.556 7.741 ( -8.728 -2.097 9.321) 12.941 7.876 ( -16.119 1.362 1.483) 16.244 8.149 ( 5.257 3.513 -8.485) 10.581 8.656 ( 9.718 1.355 -1.247) 9.891 8.903 ( 6.230 1.366 -1.261) 6.502 9.092 ( -1.271 -0.767 3.610) 3.904 9.372 ( 1.809 -0.939 -1.165) 2.348 9.513 ( -3.651 -3.008 -0.739) 4.788 10.559 ( -2.978 8.985 -0.983) 9.516 10.779 ( 0.555 6.905 0.277) 6.933 11.065 ( 4.837 -4.220 2.881) 7.036 11.333 ( 0.720 6.492 -3.148) 7.250 11.451 ( -2.659 3.965 7.397) 8.803 11.681 ( -4.502 -0.950 -1.137) 4.739 11.820 ( -3.236 -1.051 -6.296) 7.157 11.886 ( 2.324 -2.091 6.923) 7.596 12.105 ( 7.401 -1.968 -8.651) 11.554 12.323 ( -5.253 5.179 1.968) 7.635 12.694 ( -1.050 0.448 2.925) 3.140 12.777 ( -2.201 7.862 3.016) 8.703 13.127 ( 14.195 -0.648 -5.446) 15.217 13.236 ( 3.006 -2.065 -1.649) 4.002 13.466 ( -0.328 -4.154 -1.624) 4.472 13.666 ( -9.557 -2.457 3.874) 10.601 14.386 ( -1.267 -6.847 1.772) 7.185 14.612 ( -10.355 -2.658 1.776) 10.837 14.950 ( 3.207 -0.907 1.651) 3.720 15.062 ( 9.302 -2.596 -6.370) 11.569 15.307 ( -2.287 -1.057 3.899) 4.642 15.403 ( 4.042 4.059 -10.505) 11.965 15.625 ( 4.528 0.043 6.393) 7.834 15.791 ( 7.202 -0.457 -4.249) 8.374 16.116 ( -2.403 -1.631 7.952) 8.466 16.579 ( -3.922 -2.502 1.700) 4.953 16.882 ( -7.257 -2.638 -6.295) 9.962 17.246 ( 0.723 1.263 2.032) 2.499 17.382 ( -0.639 0.014 0.273) 0.695 17.580 ( -2.219 -4.526 2.215) 5.506 17.815 ( -2.473 13.765 -2.349) 14.181 18.381 ( 9.727 2.769 -6.174) 11.849 19.081 ( -14.940 3.126 12.211) 19.547 19.751 ( 10.368 1.532 -3.690) 11.111 21.597 ( 0.860 1.383 -2.355) 2.863 21.924 ( 0.195 -0.441 -0.440) 0.653 21.992 ( -6.805 6.061 -2.234) 9.383 22.315 ( -1.527 0.614 -1.641) 2.324 22.632 ( 4.234 -4.940 3.025) 7.175 23.524 ( -0.086 -9.010 1.818) 9.192 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -21.207 18.505 -7.104) 29.028 2.829 ( 12.810 34.518 -12.605) 38.916 3.298 ( 18.422 5.553 -15.882) 24.949 3.968 ( -9.723 14.097 5.347) 17.941 4.176 ( -7.584 9.196 3.447) 12.408 4.711 ( -14.763 9.954 18.832) 25.917 5.430 ( 3.068 -5.000 5.654) 8.148 5.927 ( -12.375 3.394 6.201) 14.252 6.028 ( 4.600 -14.502 -2.189) 15.371 6.940 ( 10.369 -8.462 -3.947) 13.953 7.038 ( 5.730 -4.677 -9.901) 12.359 7.573 ( -8.649 -3.510 1.549) 9.462 7.611 ( -7.863 -3.363 -1.140) 8.628 7.802 ( -11.986 -10.233 11.747) 19.656 8.150 ( 5.700 2.390 -6.568) 9.019 8.625 ( 3.774 8.752 -3.223) 10.061 8.945 ( 5.240 2.855 -0.375) 5.979 9.119 ( 0.822 -1.391 3.591) 3.937 9.368 ( 1.974 3.005 -1.701) 3.978 9.536 ( -1.618 -2.913 -1.087) 3.505 10.389 ( -3.663 5.420 -0.707) 6.579 10.656 ( -1.001 6.631 0.176) 6.709 11.068 ( -4.620 5.963 -1.087) 7.621 11.275 ( 3.038 -2.448 2.937) 4.883 11.361 ( -10.875 3.302 5.426) 12.594 11.639 ( 2.859 2.116 2.202) 4.184 11.780 ( -0.639 0.874 -8.498) 8.567 12.048 ( 0.818 -9.709 -0.492) 9.756 12.175 ( -5.155 4.398 2.363) 7.176 12.191 ( 7.319 0.298 -2.486) 7.735 12.536 ( -4.602 10.320 2.489) 11.570 12.681 ( -4.959 0.179 5.468) 7.384 13.275 ( 6.019 -2.732 -1.960) 6.895 13.437 ( 13.641 -8.321 -2.248) 16.136 13.553 ( 0.949 -5.845 -0.159) 5.924 13.637 ( -3.994 -2.326 1.101) 4.751 14.498 ( -3.873 -8.647 2.459) 9.789 14.562 ( -8.830 -5.265 -0.103) 10.281 15.027 ( 8.478 0.587 0.381) 8.507 15.233 ( 12.673 -2.288 -8.818) 15.607 15.291 ( -4.296 -1.870 2.073) 5.123 15.405 ( 5.755 1.279 -5.218) 7.873 15.672 ( 0.779 -1.272 6.067) 6.247 15.809 ( -3.204 1.160 -3.162) 4.649 16.163 ( 3.874 -0.852 8.781) 9.635 16.557 ( -3.207 0.611 0.399) 3.289 16.820 ( -5.239 -0.134 -6.838) 8.616 17.209 ( 0.703 4.067 0.922) 4.229 17.343 ( -0.704 4.478 3.275) 5.592 17.467 ( -7.219 8.166 0.834) 10.931 17.742 ( 5.232 -2.422 -2.817) 6.417 18.360 ( 3.422 7.823 -6.473) 10.715 18.898 ( -17.722 -1.821 13.596) 22.411 19.794 ( 6.656 4.456 -3.063) 8.575 21.547 ( 1.238 4.885 -2.897) 5.813 21.787 ( -7.967 6.828 -1.630) 10.618 21.930 ( 0.263 0.174 -0.964) 1.014 22.251 ( -1.344 3.822 -0.983) 4.169 22.800 ( 4.304 -7.617 0.556) 8.767 23.716 ( 4.250 -9.227 2.691) 10.509 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -16.662 22.230 -5.213) 28.266 2.281 ( 14.526 42.267 -11.536) 46.158 2.993 ( -25.300 40.749 1.219) 47.980 3.531 ( 13.485 5.864 -6.845) 16.219 4.084 ( -8.970 9.792 3.441) 13.718 4.535 ( -8.488 -10.855 11.349) 17.852 5.621 ( 5.949 -2.872 -2.864) 7.200 5.773 ( -7.874 -2.173 9.545) 12.563 6.379 ( 3.091 -19.184 -1.927) 19.527 7.130 ( 0.524 -5.149 -3.433) 6.211 7.178 ( 3.961 -6.624 -0.374) 7.727 7.432 ( -5.865 1.581 -1.618) 6.286 7.641 ( -5.157 -2.698 2.286) 6.253 7.967 ( -3.400 -13.939 5.100) 15.227 8.156 ( 3.726 3.441 -1.714) 5.354 8.505 ( 2.828 7.524 -3.573) 8.796 8.880 ( -1.153 5.812 0.788) 5.977 9.164 ( 2.496 -0.604 0.659) 2.651 9.329 ( 1.394 3.221 -0.984) 3.645 9.563 ( 0.251 -0.926 -0.808) 1.254 10.294 ( -2.844 1.052 -0.400) 3.059 10.532 ( -0.943 6.241 0.651) 6.346 10.923 ( 1.087 6.500 -3.018) 7.248 11.127 ( -16.270 3.879 3.285) 17.046 11.358 ( 0.135 -2.249 4.378) 4.924 11.618 ( 0.177 3.424 -0.312) 3.443 11.772 ( 6.712 3.293 -5.999) 9.585 12.012 ( -8.205 2.700 4.625) 9.798 12.214 ( 4.650 -3.209 -10.495) 11.919 12.305 ( 1.354 -6.750 7.646) 10.289 12.352 ( -2.558 5.039 1.591) 5.871 12.634 ( -4.063 -0.358 3.965) 5.688 13.364 ( 3.697 -0.161 -1.157) 3.877 13.627 ( -4.792 -5.011 3.693) 7.856 13.667 ( 1.403 -8.207 0.161) 8.328 13.799 ( 15.206 -8.519 -1.756) 17.518 14.572 ( -6.528 -6.141 -2.694) 9.359 14.617 ( -4.086 -8.588 2.926) 9.950 15.110 ( 10.613 2.836 -0.620) 11.003 15.247 ( -1.403 1.607 -3.509) 4.107 15.423 ( 5.983 -5.795 -2.353) 8.656 15.457 ( 4.006 -1.315 -1.863) 4.610 15.710 ( -7.809 0.469 0.051) 7.823 15.715 ( -0.839 -3.100 3.897) 5.050 16.215 ( 2.614 1.287 3.535) 4.581 16.485 ( -2.114 4.082 -0.275) 4.605 16.743 ( -1.940 3.736 -3.503) 5.477 17.131 ( 1.285 6.010 0.179) 6.148 17.222 ( -1.704 5.884 4.872) 7.827 17.311 ( -2.353 4.736 -1.729) 5.564 17.869 ( 9.201 -2.852 -3.206) 10.152 18.193 ( -0.697 10.456 -4.102) 11.253 18.759 ( -20.238 -3.695 11.358) 23.500 19.743 ( 2.400 6.420 -1.958) 7.128 21.458 ( 2.082 6.698 -2.466) 7.435 21.582 ( -6.456 6.336 -1.071) 9.109 21.920 ( -0.038 0.849 -0.844) 1.198 22.162 ( -0.351 4.870 -0.508) 4.909 22.981 ( 2.658 -8.075 -0.136) 8.502 23.933 ( 5.525 -8.252 1.573) 10.055 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.000 25.332 0.000) 25.332 1.636 ( -0.000 45.092 0.000) 45.092 1.935 ( -0.000 53.043 0.000) 53.043 3.588 ( 0.000 -0.786 -0.000) 0.786 3.795 ( -0.000 11.475 0.000) 11.475 4.780 ( 0.000 -16.346 -0.000) 16.346 5.565 ( -0.000 5.401 0.000) 5.401 5.913 ( 0.000 -10.796 -0.000) 10.796 6.708 ( 0.000 -16.722 -0.000) 16.722 7.204 ( 0.000 -5.707 -0.000) 5.707 7.286 ( 0.000 -4.132 -0.000) 4.132 7.398 ( 0.000 -0.450 -0.000) 0.450 7.623 ( -0.000 2.200 0.000) 2.200 8.077 ( -0.000 8.245 0.000) 8.245 8.128 ( 0.000 -4.887 -0.000) 4.887 8.422 ( -0.000 3.761 0.000) 3.761 8.813 ( 0.000 -0.883 -0.000) 0.883 9.182 ( -0.000 0.557 0.000) 0.557 9.290 ( -0.000 1.770 0.000) 1.770 9.563 ( -0.000 1.013 0.000) 1.013 10.290 ( 0.000 -2.523 -0.000) 2.523 10.432 ( -0.000 4.008 0.000) 4.008 10.785 ( -0.000 11.235 0.000) 11.235 10.995 ( 0.000 -1.288 -0.000) 1.288 11.366 ( -0.000 0.238 0.000) 0.238 11.563 ( -0.000 2.300 0.000) 2.300 11.733 ( -0.000 5.437 0.000) 5.437 11.925 ( -0.000 2.147 0.000) 2.147 12.269 ( -0.000 1.622 0.000) 1.622 12.285 ( 0.000 -1.956 -0.000) 1.956 12.468 ( 0.000 -8.747 -0.000) 8.747 12.624 ( 0.000 -0.935 -0.000) 0.935 13.354 ( -0.000 2.451 0.000) 2.451 13.696 ( 0.000 -5.145 -0.000) 5.145 13.818 ( 0.000 -7.648 -0.000) 7.648 14.093 ( 0.000 -11.486 -0.000) 11.486 14.572 ( 0.000 -1.790 -0.000) 1.790 14.735 ( 0.000 -6.522 -0.000) 6.522 15.151 ( -0.000 4.718 0.000) 4.718 15.156 ( -0.000 3.325 0.000) 3.325 15.512 ( 0.000 -3.091 -0.000) 3.091 15.582 ( 0.000 -7.862 -0.000) 7.862 15.676 ( 0.000 -2.251 -0.000) 2.251 15.798 ( 0.000 -6.980 -0.000) 6.980 16.186 ( -0.000 3.674 0.000) 3.674 16.370 ( -0.000 7.387 0.000) 7.387 16.623 ( -0.000 8.073 0.000) 8.073 17.023 ( -0.000 7.932 0.000) 7.932 17.172 ( 0.000 -0.172 -0.000) 0.172 17.206 ( -0.000 4.865 0.000) 4.865 17.994 ( -0.000 2.673 0.000) 2.673 18.039 ( -0.000 1.796 0.000) 1.796 18.619 ( -0.000 0.769 0.000) 0.769 19.643 ( -0.000 5.655 0.000) 5.655 21.348 ( -0.000 7.246 0.000) 7.246 21.446 ( -0.000 4.086 0.000) 4.086 21.902 ( -0.000 0.915 0.000) 0.915 22.077 ( -0.000 4.587 0.000) 4.587 23.127 ( 0.000 -6.580 -0.000) 6.580 24.109 ( 0.000 -6.665 -0.000) 6.665 ======================= Grid point 23 (16/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 36.313 0.000 -4.073) 36.541 1.933 ( 40.409 0.000 0.286) 40.410 3.148 ( 57.378 0.000 22.163) 61.510 3.967 ( 14.300 0.000 8.689) 16.733 4.212 ( 17.757 0.000 -21.654) 28.004 4.726 ( -11.498 -0.000 -2.413) 11.748 5.738 ( 8.215 0.000 -6.166) 10.272 6.381 ( 9.156 0.000 -11.377) 14.604 6.853 ( -19.802 -0.000 -2.836) 20.005 7.053 ( -17.515 -0.000 3.231) 17.810 7.119 ( -5.539 -0.000 -0.431) 5.556 7.199 ( -13.561 -0.000 8.311) 15.905 7.704 ( 2.451 0.000 9.902) 10.201 8.159 ( 0.816 0.000 -0.977) 1.273 8.291 ( 0.596 0.000 -10.358) 10.375 8.349 ( 2.552 0.000 -6.227) 6.730 8.904 ( -2.930 -0.000 4.155) 5.084 9.064 ( -7.311 -0.000 2.492) 7.724 9.203 ( -0.842 -0.000 4.876) 4.948 9.324 ( -1.986 -0.000 2.917) 3.529 10.810 ( 14.559 0.000 -7.595) 16.421 10.878 ( 13.442 0.000 -9.268) 16.327 10.990 ( 18.115 0.000 1.591) 18.185 11.219 ( 3.407 0.000 -1.400) 3.684 11.408 ( 2.023 0.000 4.548) 4.978 11.573 ( -0.718 -0.000 3.303) 3.380 11.887 ( 10.215 0.000 3.010) 10.649 11.941 ( -7.266 -0.000 -4.133) 8.359 12.299 ( -1.841 -0.000 -0.749) 1.988 12.509 ( 19.608 0.000 -12.470) 23.237 12.772 ( 4.522 0.000 -1.813) 4.872 13.026 ( -2.145 -0.000 7.154) 7.469 13.316 ( -10.373 -0.000 4.125) 11.163 13.467 ( 0.377 0.000 -20.996) 20.999 13.572 ( -6.167 -0.000 1.927) 6.461 13.760 ( -7.526 -0.000 -2.963) 8.089 14.465 ( -13.225 -0.000 -6.444) 14.712 14.820 ( -9.786 -0.000 4.762) 10.884 14.907 ( -7.475 -0.000 6.882) 10.161 15.233 ( 8.254 0.000 -4.949) 9.624 15.473 ( -3.783 -0.000 3.528) 5.173 15.536 ( -2.725 -0.000 1.894) 3.318 15.766 ( -7.324 -0.000 -2.891) 7.874 15.854 ( -6.738 -0.000 -11.050) 12.942 16.297 ( 4.510 0.000 -2.663) 5.237 16.422 ( -6.007 -0.000 1.009) 6.091 16.446 ( 4.595 0.000 -0.385) 4.611 16.644 ( 0.514 0.000 8.906) 8.920 17.188 ( -7.581 -0.000 9.692) 12.305 17.285 ( -0.880 -0.000 3.508) 3.617 17.457 ( 22.756 0.000 -11.628) 25.554 18.508 ( 21.217 0.000 2.072) 21.318 19.614 ( 1.675 0.000 10.415) 10.549 20.525 ( 3.147 0.000 -47.851) 47.954 21.200 ( -0.113 -0.000 -4.740) 4.742 21.590 ( -0.318 -0.000 2.430) 2.450 21.936 ( 1.938 0.000 0.506) 2.004 22.182 ( -2.111 -0.000 -1.038) 2.352 22.947 ( -12.339 -0.000 -0.519) 12.349 23.014 ( -8.688 -0.000 35.575) 36.621 ======================= Grid point 24 (17/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 35.216 -4.708 0.860) 35.540 2.493 ( 37.153 -10.364 -2.091) 38.628 3.861 ( 34.631 -1.085 20.457) 40.237 3.976 ( 20.220 8.387 2.944) 22.088 4.333 ( -6.948 -4.981 -12.108) 14.821 4.690 ( 15.257 4.143 -7.639) 17.559 5.786 ( 5.921 2.884 -8.609) 10.840 6.341 ( 9.289 10.400 -12.932) 19.018 6.534 ( -15.870 8.895 -2.964) 18.433 6.860 ( -20.424 -2.329 5.050) 21.168 6.978 ( -10.453 4.648 5.098) 12.524 7.276 ( -6.470 -13.969 5.119) 16.224 7.743 ( -0.636 -1.600 9.818) 9.967 8.175 ( 5.979 1.969 -4.685) 7.847 8.252 ( -5.044 -0.380 -4.431) 6.724 8.358 ( 3.837 1.799 -4.191) 5.960 8.863 ( -2.208 1.487 5.932) 6.502 9.009 ( -3.916 -1.863 1.319) 4.533 9.172 ( -0.412 2.885 3.894) 4.864 9.379 ( -1.284 -5.630 3.121) 6.564 10.907 ( 10.463 2.334 -9.217) 14.138 10.955 ( 13.681 5.892 -11.665) 18.919 11.229 ( 11.781 -0.504 8.686) 14.645 11.245 ( 5.550 0.778 -4.928) 7.463 11.426 ( 4.782 1.183 4.225) 6.490 11.632 ( 0.771 -4.771 3.173) 5.782 11.842 ( -4.385 2.597 -1.062) 5.206 12.031 ( 8.399 -2.283 -1.130) 8.777 12.257 ( -2.245 1.826 -1.077) 3.088 12.633 ( 8.418 5.519 -6.481) 11.972 12.793 ( 8.691 4.368 -3.890) 10.476 12.975 ( -0.894 0.768 1.702) 2.070 13.171 ( -8.299 3.833 4.044) 9.996 13.384 ( -1.953 5.226 -4.946) 7.455 13.564 ( -5.591 -2.524 -1.579) 6.335 13.691 ( -1.854 -1.669 -1.909) 3.141 14.301 ( -8.378 1.844 -7.594) 11.457 14.731 ( -15.305 -4.002 5.919) 16.891 14.864 ( -7.162 -2.816 7.808) 10.963 15.258 ( 2.202 7.542 -0.615) 7.881 15.397 ( 6.032 3.467 -1.255) 7.070 15.497 ( -4.055 3.817 -0.761) 5.620 15.623 ( -8.462 0.083 1.875) 8.667 15.836 ( -2.913 -4.889 -14.458) 15.538 16.241 ( -4.594 7.891 0.902) 9.175 16.317 ( 0.678 0.713 1.415) 1.723 16.535 ( -1.580 -6.377 0.518) 6.590 16.797 ( 1.017 -10.335 4.519) 11.326 17.202 ( -5.838 -7.416 5.774) 11.064 17.263 ( -5.376 -2.189 1.626) 6.028 17.749 ( 27.084 -1.142 -10.047) 28.910 18.742 ( 21.149 2.399 4.352) 21.725 19.619 ( 0.255 3.881 11.822) 12.446 20.221 ( 3.351 23.910 -30.271) 38.720 21.225 ( -0.640 -4.907 -2.704) 5.639 21.701 ( 1.381 -8.575 -0.300) 8.691 21.998 ( 1.970 -4.189 0.865) 4.709 22.139 ( 1.733 1.779 1.843) 3.093 22.769 ( -13.876 2.127 -0.046) 14.038 23.078 ( -12.251 -10.462 17.536) 23.813 ======================= Grid point 25 (18/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 30.161 -9.961 3.861) 31.997 3.082 ( 33.247 -9.690 -3.503) 34.807 3.649 ( -5.775 15.970 0.768) 16.999 4.221 ( 2.576 6.356 1.544) 7.030 4.580 ( 28.059 -7.493 10.247) 30.797 4.726 ( 14.375 10.618 -8.868) 19.950 5.813 ( 11.460 1.289 -12.379) 16.918 6.133 ( -13.280 8.334 -4.204) 16.232 6.325 ( 0.850 6.940 -6.870) 9.802 6.715 ( -14.414 -4.377 4.663) 15.770 6.784 ( -5.786 6.331 0.366) 8.585 7.380 ( -10.553 -7.142 8.154) 15.128 7.740 ( -6.941 1.010 12.036) 13.931 8.191 ( 0.535 3.322 -3.487) 4.846 8.195 ( -5.098 -4.740 -6.632) 9.614 8.425 ( 13.688 0.553 -3.835) 14.226 8.834 ( 0.436 1.503 7.243) 7.411 9.043 ( -2.178 -4.706 0.180) 5.188 9.136 ( 0.765 0.704 2.531) 2.736 9.446 ( -3.458 -3.804 2.350) 5.653 10.939 ( 1.344 0.828 -10.492) 10.610 10.984 ( 12.943 6.151 -7.871) 16.349 11.189 ( 6.102 8.799 1.410) 10.800 11.329 ( 6.065 1.812 8.754) 10.803 11.559 ( 7.704 -1.536 5.442) 9.556 11.728 ( -2.372 1.216 -3.532) 4.425 11.763 ( 3.126 -5.510 -0.237) 6.340 12.107 ( 5.185 4.152 -3.650) 7.579 12.175 ( -3.471 4.704 -1.389) 6.009 12.522 ( 0.458 7.010 -0.150) 7.026 12.792 ( 6.393 4.979 -6.983) 10.697 12.954 ( -3.934 2.254 4.038) 6.071 13.147 ( 9.146 -1.405 -1.990) 9.464 13.235 ( -3.059 5.209 -2.535) 6.551 13.520 ( -7.384 -1.300 1.803) 7.711 13.716 ( -0.874 0.548 -2.864) 3.044 14.212 ( -2.936 -0.452 -4.392) 5.302 14.616 ( -17.719 -3.640 6.022) 19.065 14.829 ( -5.148 -0.240 9.908) 11.168 15.109 ( -3.971 5.197 -0.424) 6.554 15.356 ( -2.652 2.129 -1.432) 3.690 15.498 ( 12.805 1.836 -4.049) 13.555 15.576 ( -4.196 -1.139 4.406) 6.190 15.869 ( 2.534 -0.939 -17.422) 17.630 16.072 ( -3.117 5.436 3.301) 7.083 16.335 ( -5.600 -5.238 4.701) 8.995 16.627 ( -4.479 -7.826 0.021) 9.017 16.991 ( 0.039 -10.231 2.898) 10.634 17.241 ( -3.679 -3.037 -0.167) 4.773 17.295 ( -6.967 -8.453 3.026) 11.365 18.054 ( 25.139 -0.494 -9.663) 26.937 18.867 ( 16.198 11.714 5.020) 20.611 19.502 ( -2.839 8.933 9.653) 13.455 19.864 ( 3.928 14.573 -14.359) 20.832 21.340 ( -0.143 -8.491 -2.421) 8.831 21.834 ( 0.907 -4.528 -0.298) 4.627 22.106 ( 1.106 -5.264 -0.388) 5.393 22.195 ( 7.036 -0.950 1.741) 7.310 22.580 ( -12.723 0.813 1.613) 12.851 23.112 ( -13.777 -9.075 6.234) 17.636 ======================= Grid point 26 (19/172) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -0.626 1.962 -2.332) 3.111 3.342 ( 17.830 7.328 -2.002) 19.381 3.582 ( 21.689 -2.147 3.054) 22.007 4.203 ( 12.930 3.782 1.664) 13.574 4.482 ( 8.103 20.270 -9.509) 23.811 5.023 ( 14.348 -4.785 10.447) 18.382 5.832 ( -11.206 7.677 -1.609) 13.678 5.916 ( 3.901 2.301 -7.705) 8.938 6.165 ( -9.742 2.676 1.682) 10.242 6.607 ( -4.529 2.052 0.881) 5.049 6.757 ( 4.518 -3.328 -12.124) 13.360 7.326 ( -12.565 -1.339 7.969) 14.939 7.625 ( -13.704 -1.222 15.793) 20.946 8.057 ( -6.475 6.705 -2.286) 9.597 8.239 ( 2.619 -1.192 -8.369) 8.850 8.603 ( 14.170 -1.806 -2.818) 14.560 8.865 ( 4.327 -0.895 5.446) 7.013 9.082 ( -2.471 -2.804 2.855) 4.703 9.204 ( 2.246 -5.310 -1.270) 5.904 9.433 ( -6.452 -1.453 0.960) 6.683 10.868 ( -3.952 3.405 -7.900) 9.467 10.982 ( 6.157 6.546 -0.993) 9.041 11.139 ( 11.173 8.534 2.518) 14.283 11.389 ( 5.197 -0.170 5.597) 7.640 11.551 ( -5.325 2.073 7.522) 9.447 11.733 ( 3.001 -1.292 -7.296) 7.994 11.920 ( 0.525 -1.228 0.844) 1.580 11.954 ( -3.553 11.121 -2.626) 11.967 12.077 ( 12.065 4.342 -4.330) 13.534 12.446 ( -3.798 2.036 -0.164) 4.313 12.767 ( 4.365 4.146 -5.026) 7.842 12.913 ( 4.405 1.487 4.340) 6.360 13.163 ( 0.043 0.478 0.535) 0.718 13.295 ( 11.113 -0.383 -8.043) 13.724 13.441 ( -5.005 3.088 0.700) 5.922 13.592 ( -12.357 2.034 0.429) 12.531 14.206 ( -4.474 -2.968 1.913) 5.700 14.487 ( -17.730 -4.274 3.348) 18.543 14.850 ( 2.343 -2.352 7.929) 8.596 15.025 ( 0.056 0.189 -4.308) 4.312 15.327 ( 0.735 0.435 0.948) 1.276 15.526 ( 0.673 1.719 -2.791) 3.347 15.660 ( 11.727 0.036 1.711) 11.851 15.842 ( 4.708 4.815 -11.642) 13.450 16.020 ( -3.511 -2.372 4.482) 6.168 16.383 ( -6.897 -7.625 4.197) 11.105 16.695 ( -6.630 -7.215 -1.521) 9.916 17.152 ( -0.512 -7.509 2.932) 8.078 17.270 ( -2.695 -5.009 -2.145) 6.079 17.358 ( -5.846 -6.813 1.884) 9.173 18.276 ( 18.992 4.810 -8.915) 21.525 18.680 ( 5.339 20.141 0.422) 20.841 19.325 ( -4.885 9.401 11.825) 15.877 19.779 ( 7.596 1.993 -5.750) 9.733 21.484 ( 0.496 -7.594 -2.467) 8.000 21.890 ( -0.000 -1.838 0.453) 1.893 22.203 ( -0.700 5.193 -3.070) 6.073 22.207 ( -0.005 -4.832 -2.461) 5.423 22.532 ( -0.618 -3.357 7.693) 8.416 23.141 ( -11.251 -11.485 1.128) 16.117 ======================= Grid point 27 (20/172) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -16.751 14.772 -6.537) 23.271 3.522 ( 28.648 10.711 -6.933) 31.361 3.833 ( 19.759 2.019 8.540) 21.620 4.066 ( 1.059 19.763 -5.314) 20.492 4.487 ( 16.470 -0.158 -4.128) 16.980 5.093 ( -4.681 6.515 11.105) 13.700 5.539 ( -12.973 8.667 3.174) 15.921 5.807 ( -2.983 3.342 -2.392) 5.079 6.027 ( -12.774 1.471 5.603) 14.026 6.677 ( 9.770 -6.071 -6.240) 13.086 6.885 ( 8.742 -4.425 -15.075) 17.980 7.230 ( -11.110 -4.314 6.220) 13.443 7.541 ( -15.933 -5.527 14.559) 22.280 7.825 ( -7.802 9.148 -0.811) 12.051 8.254 ( 3.882 2.175 -7.056) 8.342 8.772 ( 10.643 -0.498 -1.508) 10.761 8.960 ( 4.966 -2.066 2.919) 6.119 9.086 ( -1.135 0.545 2.710) 2.988 9.326 ( 0.792 -6.126 -2.509) 6.667 9.393 ( -5.756 -3.157 0.430) 6.579 10.727 ( 0.385 9.231 -4.492) 10.273 10.885 ( -2.776 6.011 2.965) 7.254 11.144 ( 8.120 5.110 4.361) 10.539 11.433 ( -3.863 2.013 -0.735) 4.418 11.470 ( 1.141 2.894 4.933) 5.832 11.685 ( -1.310 5.459 -3.213) 6.469 11.758 ( -4.381 1.126 -2.546) 5.191 11.920 ( 4.438 1.192 -3.664) 5.877 12.232 ( 16.259 1.688 -2.884) 16.598 12.334 ( -6.479 3.476 3.454) 8.123 12.732 ( 1.709 3.278 -1.610) 4.032 12.928 ( 1.942 7.761 2.850) 8.493 13.209 ( 3.587 -3.939 -0.965) 5.414 13.275 ( 0.624 5.560 -4.130) 6.954 13.380 ( -2.399 -3.309 0.119) 4.089 13.532 ( -1.182 -4.091 -1.306) 4.454 14.218 ( -8.571 -6.495 7.071) 12.870 14.379 ( -14.465 -5.218 -1.173) 15.422 14.923 ( -0.300 -4.094 0.329) 4.118 15.120 ( 9.645 -2.959 -1.581) 10.212 15.346 ( 4.085 0.915 2.377) 4.814 15.503 ( 4.320 3.367 -5.944) 8.083 15.716 ( 3.764 3.802 3.166) 6.216 15.832 ( 1.756 0.367 -8.608) 8.793 16.067 ( 0.621 -3.818 9.387) 10.153 16.452 ( -3.993 -6.590 2.723) 8.172 16.719 ( -6.777 -5.250 -4.362) 9.618 17.236 ( -0.747 -2.770 2.293) 3.673 17.341 ( -0.373 -4.257 -2.273) 4.840 17.422 ( -5.142 -8.154 1.863) 9.818 18.125 ( 2.255 22.064 -2.560) 22.326 18.564 ( 10.950 4.315 -8.079) 14.275 19.077 ( -9.804 11.033 13.187) 19.792 19.869 ( 8.266 -0.336 -2.369) 8.605 21.589 ( 0.980 -3.622 -2.127) 4.313 21.913 ( 0.024 -0.949 0.037) 0.950 22.035 ( -5.460 7.090 -2.533) 9.300 22.276 ( -0.571 -2.658 -2.183) 3.487 22.614 ( 3.021 -2.522 5.129) 6.464 23.285 ( -4.627 -14.994 0.837) 15.715 ======================= Grid point 28 (21/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -11.258 18.474 -4.437) 22.084 3.547 ( 18.389 26.470 -8.242) 33.268 3.691 ( 15.104 16.557 -10.375) 24.696 4.037 ( 3.464 -1.997 11.003) 11.707 4.385 ( -5.606 21.268 -1.323) 22.034 4.763 ( -16.876 14.932 9.363) 24.401 5.413 ( 3.340 -2.599 3.777) 5.672 5.827 ( -3.594 -2.954 -4.278) 6.321 5.882 ( -4.967 -3.461 5.977) 8.507 6.908 ( 8.574 -7.026 -2.489) 11.361 7.016 ( 4.031 -3.206 -8.532) 9.966 7.319 ( -0.848 -13.717 -2.380) 13.948 7.498 ( -14.935 -8.089 10.505) 19.971 7.594 ( -5.342 7.431 0.911) 9.197 8.239 ( 2.871 2.695 -3.861) 5.515 8.798 ( 3.493 6.921 -1.481) 7.893 9.029 ( 1.838 -0.245 1.991) 2.721 9.098 ( 1.874 -1.658 1.380) 2.857 9.400 ( 0.315 -0.631 -0.700) 0.994 9.426 ( -2.362 -6.514 -0.840) 6.980 10.536 ( 0.852 12.326 -0.923) 12.390 10.764 ( -1.676 4.863 0.357) 5.156 11.102 ( -2.378 5.790 3.504) 7.174 11.331 ( 0.704 3.122 0.034) 3.201 11.369 ( -2.979 7.186 0.402) 7.789 11.676 ( -0.061 0.057 1.091) 1.094 11.747 ( 1.192 -5.119 -3.161) 6.134 11.970 ( 4.481 -0.742 -6.127) 7.627 12.182 ( -6.919 3.903 7.133) 10.677 12.352 ( 12.882 4.510 -3.435) 14.074 12.623 ( -8.176 7.453 0.643) 11.082 12.741 ( 0.170 8.817 2.458) 9.155 13.279 ( 4.407 -3.279 -2.536) 6.050 13.373 ( 1.893 -7.810 -0.924) 8.089 13.426 ( -4.727 -5.874 5.031) 9.064 13.627 ( 7.907 -2.264 -5.881) 10.111 14.267 ( -8.939 -10.116 6.482) 14.976 14.362 ( -5.427 -6.313 -2.463) 8.682 15.011 ( 0.085 -6.049 -1.464) 6.224 15.247 ( 3.694 -1.912 1.248) 4.343 15.404 ( 8.670 1.383 0.383) 8.788 15.485 ( 5.045 4.072 -6.171) 8.951 15.694 ( 0.685 1.653 3.483) 3.915 15.776 ( -5.572 1.852 -3.179) 6.677 16.167 ( 1.326 -3.668 6.066) 7.212 16.511 ( -1.063 -2.429 1.748) 3.176 16.729 ( -3.073 -3.816 -4.578) 6.706 17.253 ( -0.143 0.409 0.882) 0.983 17.377 ( 0.007 -0.499 0.169) 0.527 17.501 ( -3.468 -2.443 1.038) 4.367 17.798 ( 0.443 11.533 -1.583) 11.650 18.579 ( 10.009 8.100 -12.023) 17.616 18.792 ( -13.111 7.459 14.876) 21.185 19.925 ( 4.471 2.719 -1.143) 5.356 21.621 ( 1.568 1.157 -1.672) 2.568 21.839 ( -4.543 8.070 -0.874) 9.302 21.928 ( 0.054 -0.514 -0.175) 0.546 22.277 ( -0.956 0.911 -0.885) 1.590 22.718 ( 1.955 -5.636 1.356) 6.118 23.527 ( -0.088 -14.748 1.130) 14.792 ======================= Grid point 29 (22/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.000 21.873 0.000) 21.873 3.070 ( -0.000 35.984 0.000) 35.984 3.468 ( -0.000 26.707 0.000) 26.707 3.878 ( -0.000 24.607 0.000) 24.607 4.135 ( 0.000 -4.001 -0.000) 4.001 4.402 ( -0.000 9.071 0.000) 9.071 5.569 ( 0.000 -8.466 -0.000) 8.466 5.736 ( -0.000 3.521 0.000) 3.521 6.093 ( 0.000 -15.575 -0.000) 15.575 7.076 ( 0.000 -2.721 -0.000) 2.721 7.083 ( 0.000 -7.000 -0.000) 7.000 7.444 ( -0.000 4.063 0.000) 4.063 7.514 ( 0.000 -7.275 -0.000) 7.275 7.659 ( 0.000 -17.533 -0.000) 17.533 8.215 ( -0.000 1.820 0.000) 1.820 8.668 ( -0.000 8.913 0.000) 8.913 8.992 ( -0.000 5.735 0.000) 5.735 9.152 ( 0.000 -2.281 -0.000) 2.281 9.386 ( -0.000 2.210 0.000) 2.210 9.513 ( 0.000 -4.493 -0.000) 4.493 10.356 ( -0.000 7.663 0.000) 7.663 10.659 ( -0.000 7.108 0.000) 7.108 10.983 ( -0.000 3.350 0.000) 3.350 11.178 ( -0.000 10.350 0.000) 10.350 11.347 ( 0.000 -1.184 -0.000) 1.184 11.657 ( -0.000 1.515 0.000) 1.515 11.858 ( 0.000 -2.030 -0.000) 2.030 11.977 ( -0.000 1.134 0.000) 1.134 12.127 ( 0.000 -3.449 -0.000) 3.449 12.374 ( -0.000 4.613 0.000) 4.613 12.399 ( -0.000 6.400 0.000) 6.400 12.642 ( -0.000 3.431 0.000) 3.431 13.382 ( 0.000 -2.053 -0.000) 2.053 13.483 ( 0.000 -6.863 -0.000) 6.863 13.530 ( 0.000 -8.133 -0.000) 8.133 13.749 ( 0.000 -6.078 -0.000) 6.078 14.404 ( 0.000 -9.876 -0.000) 9.876 14.445 ( 0.000 -7.037 -0.000) 7.037 15.114 ( 0.000 -5.216 -0.000) 5.216 15.293 ( 0.000 -0.402 -0.000) 0.402 15.428 ( -0.000 3.592 0.000) 3.592 15.467 ( 0.000 -0.586 -0.000) 0.586 15.685 ( -0.000 2.360 0.000) 2.360 15.689 ( 0.000 -0.231 -0.000) 0.231 16.227 ( 0.000 -1.607 -0.000) 1.607 16.514 ( -0.000 1.010 0.000) 1.010 16.757 ( 0.000 -0.871 -0.000) 0.871 17.220 ( -0.000 3.403 0.000) 3.403 17.360 ( -0.000 10.546 0.000) 10.546 17.363 ( -0.000 2.368 0.000) 2.368 17.811 ( 0.000 -6.740 -0.000) 6.740 18.413 ( -0.000 14.017 0.000) 14.017 18.656 ( -0.000 1.340 0.000) 1.340 19.871 ( -0.000 5.919 0.000) 5.919 21.582 ( -0.000 4.696 0.000) 4.696 21.661 ( -0.000 8.067 0.000) 8.067 21.931 ( -0.000 0.297 0.000) 0.297 22.232 ( -0.000 3.343 0.000) 3.343 22.852 ( 0.000 -7.976 -0.000) 7.976 23.772 ( 0.000 -12.580 -0.000) 12.580 ======================= Grid point 34 (23/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 33.704 0.000 -3.944) 33.934 2.820 ( 36.165 0.000 -0.232) 36.165 3.939 ( -25.699 -0.000 -13.613) 29.082 4.326 ( 32.350 0.000 21.655) 38.929 4.469 ( 32.192 0.000 4.282) 32.476 4.922 ( 18.901 0.000 -9.873) 21.324 5.855 ( 4.619 0.000 -10.267) 11.258 6.411 ( -16.311 -0.000 -2.235) 16.463 6.517 ( -10.161 -0.000 1.136) 10.225 6.635 ( -2.143 -0.000 -10.755) 10.966 6.936 ( -12.039 -0.000 8.395) 14.677 7.032 ( -3.921 -0.000 4.559) 6.013 7.731 ( -1.513 -0.000 9.674) 9.792 8.103 ( -14.823 -0.000 -4.489) 15.488 8.286 ( 8.695 0.000 -5.006) 10.034 8.432 ( 6.118 0.000 -0.025) 6.118 8.877 ( 0.116 0.000 5.832) 5.833 8.958 ( -1.212 -0.000 0.272) 1.242 9.230 ( 1.337 0.000 6.102) 6.246 9.293 ( -2.961 -0.000 1.340) 3.250 10.958 ( 1.493 0.000 -11.637) 11.732 11.143 ( 9.004 0.000 -19.574) 21.545 11.339 ( 9.405 0.000 9.486) 13.358 11.376 ( 14.517 0.000 1.114) 14.560 11.541 ( 5.127 0.000 7.602) 9.170 11.591 ( 1.949 0.000 2.261) 2.985 11.807 ( -2.699 -0.000 -5.219) 5.876 12.100 ( 4.131 0.000 2.880) 5.036 12.285 ( 4.737 0.000 -1.544) 4.983 12.750 ( 4.928 0.000 -7.892) 9.304 12.904 ( -9.432 -0.000 8.665) 12.808 12.916 ( 5.304 0.000 -5.603) 7.716 13.149 ( -3.211 -0.000 4.972) 5.919 13.367 ( -5.030 -0.000 -5.312) 7.316 13.597 ( -4.475 -0.000 -1.252) 4.647 13.608 ( 7.434 0.000 0.761) 7.473 14.218 ( -5.506 -0.000 -9.443) 10.930 14.535 ( -15.826 -0.000 4.737) 16.519 14.757 ( -5.947 -0.000 6.000) 8.448 15.393 ( -0.515 -0.000 3.162) 3.203 15.409 ( -3.510 -0.000 2.497) 4.307 15.544 ( 8.109 0.000 -8.123) 11.477 15.560 ( -9.007 -0.000 -0.489) 9.020 15.643 ( -6.713 -0.000 -8.085) 10.509 16.195 ( -7.907 -0.000 1.415) 8.033 16.407 ( 0.771 0.000 -4.306) 4.374 16.470 ( -0.827 -0.000 1.360) 1.592 16.726 ( 2.882 0.000 5.035) 5.802 17.057 ( -5.799 -0.000 5.463) 7.967 17.180 ( -6.708 -0.000 0.345) 6.717 18.041 ( 27.017 0.000 -9.782) 28.733 19.019 ( 21.357 0.000 6.394) 22.293 19.700 ( 2.327 0.000 13.910) 14.103 20.423 ( -0.872 -0.000 -31.081) 31.094 21.162 ( -1.963 -0.000 -3.971) 4.429 21.588 ( -0.567 -0.000 2.423) 2.489 21.989 ( 2.453 0.000 0.160) 2.459 22.135 ( -1.600 -0.000 -0.873) 1.822 22.624 ( -14.667 -0.000 -2.281) 14.843 22.923 ( -7.029 -0.000 21.384) 22.509 ======================= Grid point 35 (24/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 28.641 -3.320 -1.831) 28.891 3.277 ( 28.081 -7.611 -5.510) 29.611 3.599 ( -19.238 3.223 -6.492) 20.558 4.575 ( 22.377 8.812 10.754) 26.345 4.872 ( 27.135 0.840 9.248) 28.680 5.029 ( 12.522 5.654 -6.032) 15.005 5.888 ( 2.940 -1.181 -12.087) 12.495 6.131 ( -10.074 8.843 -0.134) 13.405 6.365 ( -18.391 0.549 -1.083) 18.431 6.583 ( 6.533 6.066 -5.371) 10.407 6.781 ( -7.234 1.558 1.222) 7.501 7.138 ( -7.562 -9.904 7.966) 14.789 7.712 ( -6.852 2.575 8.995) 11.597 7.964 ( -11.467 -7.570 -4.435) 14.438 8.313 ( 5.343 5.498 -3.772) 8.544 8.551 ( 10.552 -2.629 -0.306) 10.879 8.880 ( 2.521 1.586 5.891) 6.601 8.980 ( 0.295 -1.787 -0.963) 2.051 9.179 ( -0.492 3.266 2.930) 4.415 9.336 ( -3.381 -4.400 3.212) 6.412 10.930 ( -1.371 1.155 -10.859) 11.006 11.159 ( 5.272 2.505 -12.854) 14.118 11.390 ( 4.864 5.622 2.882) 7.973 11.476 ( 6.655 2.207 8.800) 11.252 11.612 ( 1.185 1.277 7.413) 7.615 11.726 ( 11.367 -5.814 -2.973) 13.109 11.749 ( 2.428 2.298 -3.525) 4.858 12.149 ( 0.091 -1.303 -2.068) 2.446 12.319 ( 9.596 5.687 -0.790) 11.182 12.656 ( -4.164 8.989 0.859) 9.944 12.845 ( -1.300 -1.171 -3.270) 3.708 12.928 ( -3.969 -0.618 2.343) 4.650 13.185 ( 3.843 -1.184 3.642) 5.426 13.285 ( -2.326 1.344 -4.631) 5.353 13.485 ( -0.561 4.994 0.145) 5.028 13.741 ( 4.322 -0.555 -2.297) 4.925 14.156 ( -3.808 0.032 -4.771) 6.104 14.356 ( -18.358 -1.677 3.199) 18.710 14.773 ( -0.369 -4.479 6.282) 7.724 15.201 ( -5.707 11.763 2.114) 13.245 15.333 ( -5.575 0.958 -1.926) 5.975 15.497 ( -3.457 -2.768 2.222) 4.955 15.652 ( 8.379 -1.735 -6.997) 11.053 15.733 ( 0.862 -9.341 -6.391) 11.351 16.094 ( -6.471 1.788 1.859) 6.966 16.320 ( -1.584 6.398 -0.379) 6.602 16.490 ( -2.164 -3.242 0.592) 3.943 16.833 ( 0.543 -7.570 3.021) 8.169 17.080 ( -5.804 -7.159 2.793) 9.630 17.129 ( -5.646 -3.311 -0.216) 6.549 18.317 ( 23.034 -0.014 -9.441) 24.894 19.235 ( 19.123 4.891 8.553) 21.512 19.670 ( 0.724 8.703 12.689) 15.404 20.151 ( -1.873 18.474 -21.074) 28.087 21.188 ( -1.664 -6.524 -2.277) 7.108 21.716 ( 0.229 -10.197 -0.196) 10.202 22.046 ( 1.989 -3.222 -0.061) 3.787 22.172 ( 1.120 -6.119 -1.551) 6.411 22.439 ( -13.655 1.362 -1.645) 13.821 22.897 ( -8.045 -2.287 13.620) 15.983 ======================= Grid point 36 (25/172) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -7.933 6.572 -6.629) 12.250 3.456 ( 11.913 -7.927 -4.207) 14.915 3.806 ( 27.215 -7.085 1.265) 28.150 4.607 ( 16.806 15.910 9.121) 24.875 4.838 ( 5.457 12.400 -6.769) 15.144 5.212 ( 16.655 2.541 7.721) 18.532 5.789 ( -11.635 4.733 -1.263) 12.624 6.016 ( -2.249 0.491 -1.621) 2.816 6.097 ( -7.948 10.098 -6.707) 14.495 6.549 ( -2.128 -1.092 2.091) 3.177 6.764 ( 3.924 -2.213 -10.832) 11.731 7.166 ( -8.397 -3.354 6.444) 11.103 7.504 ( -16.091 3.923 12.070) 20.494 8.084 ( 0.459 -7.340 -3.431) 8.115 8.222 ( 0.302 6.364 -2.836) 6.974 8.729 ( 11.668 -2.411 -0.242) 11.917 8.918 ( 5.321 0.045 3.701) 6.482 8.998 ( -1.876 -2.234 -0.870) 3.044 9.172 ( 1.300 -1.529 1.259) 2.369 9.330 ( -7.111 -1.282 2.229) 7.561 10.858 ( -2.306 2.380 -7.893) 8.560 11.144 ( 3.218 4.392 -6.237) 8.279 11.322 ( -2.451 2.940 4.634) 6.010 11.498 ( 5.817 4.692 5.363) 9.198 11.562 ( 0.764 3.460 4.801) 5.967 11.790 ( 7.826 1.839 -3.598) 8.808 11.922 ( 5.912 -1.946 -2.384) 6.665 12.075 ( -3.565 7.422 -3.588) 8.981 12.340 ( 15.095 5.307 0.459) 16.007 12.469 ( -4.593 5.918 -0.039) 7.491 12.823 ( -2.206 0.979 -2.584) 3.536 12.942 ( 0.952 -3.612 4.198) 5.620 13.183 ( 1.725 1.557 2.205) 3.203 13.362 ( 4.122 -4.655 -3.241) 7.012 13.401 ( -0.601 3.969 -2.268) 4.611 13.640 ( -3.369 10.838 -5.639) 12.673 14.081 ( -12.968 -1.633 7.464) 15.052 14.219 ( -12.110 -3.301 -2.374) 12.774 14.905 ( 6.848 -0.271 7.127) 9.888 15.000 ( -2.564 0.474 -0.607) 2.677 15.305 ( -2.007 -2.663 -2.347) 4.077 15.524 ( -0.345 -2.388 1.580) 2.884 15.749 ( 3.171 -2.348 -5.205) 6.531 15.904 ( 8.442 -3.165 -7.496) 11.725 16.006 ( -2.571 1.809 1.961) 3.705 16.215 ( -5.402 -0.574 5.123) 7.467 16.520 ( -4.713 -4.527 -0.518) 6.555 16.985 ( -1.254 -9.650 1.846) 9.905 17.119 ( -5.355 -5.960 0.033) 8.012 17.188 ( -3.166 -7.034 0.289) 7.719 18.526 ( 17.096 1.125 -8.670) 19.202 19.157 ( 5.832 25.211 5.184) 26.391 19.518 ( 2.337 11.339 10.585) 15.686 19.877 ( 0.832 5.499 -9.345) 10.875 21.325 ( -0.345 -9.860 -1.541) 9.985 21.844 ( 0.167 -4.143 0.011) 4.146 22.130 ( 1.014 -4.095 -1.567) 4.501 22.236 ( -5.896 3.205 -4.567) 8.117 22.420 ( 2.124 -13.420 2.796) 13.872 22.857 ( -10.101 -3.964 6.816) 12.814 ======================= Grid point 37 (26/172) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -10.168 11.639 -4.707) 16.156 3.774 ( 13.123 -7.784 -1.278) 15.311 4.149 ( 19.700 1.916 1.786) 19.873 4.402 ( 1.041 18.005 0.877) 18.056 4.770 ( 14.581 9.066 -3.412) 17.506 5.205 ( -1.301 10.611 4.866) 11.746 5.571 ( -6.525 7.425 1.185) 9.956 5.838 ( -5.827 6.472 -2.468) 9.051 5.908 ( -10.778 2.118 3.252) 11.455 6.671 ( 10.501 -6.606 -5.262) 13.476 6.857 ( 1.134 -5.647 -8.640) 10.384 7.110 ( -4.060 0.992 1.408) 4.410 7.322 ( -13.800 -1.089 12.460) 18.624 7.971 ( -1.399 12.828 0.069) 12.905 8.259 ( 0.744 -4.169 -3.239) 5.331 8.878 ( 8.475 -1.014 -0.335) 8.542 8.997 ( 6.001 0.206 0.297) 6.012 9.051 ( -0.573 -5.055 2.791) 5.803 9.198 ( -5.983 -1.988 -1.272) 6.432 9.290 ( -2.380 -4.160 0.651) 4.837 10.792 ( -0.512 1.655 -4.693) 5.003 11.016 ( -2.205 9.787 2.397) 10.315 11.303 ( 1.028 -0.399 2.777) 2.988 11.451 ( 2.764 8.077 -1.990) 8.766 11.547 ( 2.313 1.296 4.389) 5.128 11.761 ( -0.177 5.400 -1.399) 5.581 11.818 ( -4.533 10.349 0.116) 11.298 12.004 ( 7.147 1.464 -7.493) 10.458 12.317 ( -6.634 4.159 3.706) 8.663 12.499 ( 18.980 2.687 0.432) 19.174 12.776 ( -2.903 1.312 -2.642) 4.139 13.055 ( 4.539 -2.220 2.390) 5.590 13.170 ( -2.305 2.615 2.786) 4.462 13.304 ( -4.926 2.866 -3.999) 6.962 13.328 ( -6.160 4.155 2.204) 7.750 13.559 ( 12.500 -0.629 -9.516) 15.722 13.973 ( -16.419 -5.608 9.872) 19.962 14.176 ( -5.377 -3.748 -2.416) 6.985 14.868 ( -1.460 0.149 0.569) 1.574 15.163 ( 8.137 -4.162 1.491) 9.260 15.353 ( 0.268 -4.132 -1.179) 4.305 15.569 ( 2.603 -0.807 0.342) 2.746 15.776 ( -1.473 -0.351 -1.608) 2.209 15.898 ( 3.551 7.015 -7.100) 10.594 16.023 ( -1.140 -2.944 5.846) 6.644 16.300 ( 1.658 -8.899 3.403) 9.671 16.543 ( -5.635 -5.634 -2.338) 8.305 17.141 ( -0.588 -8.594 2.187) 8.887 17.182 ( -3.399 -7.520 -1.876) 8.463 17.271 ( -1.706 -5.614 0.414) 5.882 18.586 ( 9.498 19.003 -5.696) 21.995 18.730 ( -0.962 12.410 0.332) 12.452 19.281 ( -1.690 16.954 7.345) 18.554 19.909 ( 3.759 -2.798 -1.966) 5.082 21.487 ( 0.289 -8.299 -0.980) 8.362 21.891 ( 0.024 -1.707 0.133) 1.712 22.084 ( -3.937 4.854 -2.189) 6.623 22.217 ( 0.235 -3.578 -0.885) 3.693 22.636 ( 5.035 -1.202 2.784) 5.878 22.922 ( -7.291 -17.910 1.068) 19.366 ======================= Grid point 38 (27/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -0.000 15.249 0.000) 15.249 3.964 ( 0.000 -3.011 -0.000) 3.011 4.072 ( -0.000 19.626 0.000) 19.626 4.117 ( -0.000 15.016 0.000) 15.016 4.695 ( -0.000 12.566 0.000) 12.566 4.921 ( -0.000 15.647 0.000) 15.647 5.427 ( -0.000 3.206 0.000) 3.206 5.779 ( 0.000 -1.568 -0.000) 1.568 5.805 ( -0.000 0.931 0.000) 0.931 6.885 ( 0.000 -4.545 -0.000) 4.545 6.929 ( 0.000 -6.639 -0.000) 6.639 7.141 ( 0.000 -7.690 -0.000) 7.690 7.278 ( 0.000 -3.896 -0.000) 3.896 7.738 ( -0.000 11.747 0.000) 11.747 8.287 ( -0.000 0.918 0.000) 0.918 8.947 ( -0.000 6.828 0.000) 6.828 8.980 ( 0.000 -3.999 -0.000) 3.999 9.105 ( 0.000 -0.746 -0.000) 0.746 9.265 ( 0.000 -9.209 -0.000) 9.209 9.362 ( 0.000 -3.729 -0.000) 3.729 10.777 ( -0.000 0.346 0.000) 0.346 10.788 ( -0.000 13.983 0.000) 13.983 11.266 ( -0.000 11.640 0.000) 11.640 11.337 ( 0.000 -0.506 -0.000) 0.506 11.521 ( -0.000 7.253 0.000) 7.253 11.672 ( 0.000 -0.126 -0.000) 0.126 11.686 ( -0.000 1.854 0.000) 1.854 12.024 ( -0.000 1.576 0.000) 1.576 12.203 ( -0.000 3.777 0.000) 3.777 12.578 ( -0.000 6.294 0.000) 6.294 12.655 ( -0.000 5.637 0.000) 5.637 12.932 ( -0.000 11.883 0.000) 11.883 13.219 ( 0.000 -6.626 -0.000) 6.626 13.282 ( 0.000 -2.459 -0.000) 2.459 13.304 ( 0.000 -3.727 -0.000) 3.727 13.657 ( 0.000 -0.807 -0.000) 0.807 14.016 ( 0.000 -10.620 -0.000) 10.620 14.225 ( 0.000 -5.510 -0.000) 5.510 14.905 ( 0.000 -4.833 -0.000) 4.833 15.250 ( 0.000 -1.269 -0.000) 1.269 15.427 ( 0.000 -2.614 -0.000) 2.614 15.591 ( -0.000 1.563 0.000) 1.563 15.753 ( -0.000 1.056 0.000) 1.056 15.780 ( -0.000 6.666 0.000) 6.666 16.096 ( 0.000 -5.108 -0.000) 5.108 16.451 ( 0.000 -5.210 -0.000) 5.210 16.609 ( 0.000 -6.460 -0.000) 6.460 17.229 ( 0.000 -2.890 -0.000) 2.890 17.338 ( 0.000 -10.913 -0.000) 10.913 17.341 ( 0.000 -3.375 -0.000) 3.375 18.143 ( -0.000 25.483 0.000) 25.483 18.702 ( -0.000 1.078 0.000) 1.078 18.965 ( -0.000 17.372 0.000) 17.372 19.968 ( 0.000 -0.764 -0.000) 0.764 21.600 ( 0.000 -4.223 -0.000) 4.223 21.914 ( 0.000 -1.024 -0.000) 1.024 21.953 ( -0.000 7.380 0.000) 7.380 22.264 ( 0.000 -1.639 -0.000) 1.639 22.666 ( 0.000 -1.617 -0.000) 1.617 23.229 ( 0.000 -18.754 -0.000) 18.754 ======================= Grid point 45 (28/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 24.460 0.000 -2.752) 24.614 3.250 ( -16.442 -0.000 -13.084) 21.013 3.644 ( 23.500 0.000 4.680) 23.961 4.927 ( 20.843 0.000 6.847) 21.939 5.110 ( -3.299 -0.000 -4.237) 5.370 5.208 ( 21.971 0.000 7.814) 23.319 5.857 ( -1.729 -0.000 -8.891) 9.057 6.048 ( -19.127 -0.000 3.306) 19.411 6.280 ( 9.030 0.000 -7.141) 11.512 6.693 ( -10.365 -0.000 5.467) 11.718 6.842 ( 13.204 0.000 -9.563) 16.303 6.897 ( -10.707 -0.000 9.995) 14.647 7.658 ( -21.072 -0.000 -1.262) 21.110 7.741 ( 0.469 0.000 3.654) 3.684 8.432 ( 4.436 0.000 -3.881) 5.895 8.623 ( 9.486 0.000 2.701) 9.863 8.959 ( 4.689 0.000 3.784) 6.025 8.961 ( 0.030 0.000 -1.181) 1.181 9.186 ( -5.691 -0.000 -0.404) 5.705 9.282 ( 0.989 0.000 5.373) 5.464 10.915 ( -0.616 -0.000 -9.654) 9.674 11.191 ( 1.669 0.000 -8.443) 8.606 11.402 ( -8.255 -0.000 2.079) 8.512 11.560 ( 2.930 0.000 9.008) 9.472 11.718 ( 3.788 0.000 -0.728) 3.857 11.818 ( 13.493 0.000 7.083) 15.239 11.824 ( 11.341 0.000 -9.903) 15.056 12.154 ( 3.223 0.000 -2.421) 4.031 12.469 ( 6.659 0.000 2.533) 7.125 12.687 ( -9.157 -0.000 3.010) 9.639 12.767 ( -2.691 -0.000 -5.964) 6.543 12.854 ( -6.702 -0.000 2.650) 7.207 13.260 ( -0.568 -0.000 -3.346) 3.394 13.263 ( 9.680 0.000 3.251) 10.211 13.523 ( -4.711 -0.000 -0.122) 4.713 13.807 ( 7.964 0.000 0.468) 7.978 14.134 ( -19.200 -0.000 3.932) 19.599 14.140 ( 0.323 0.000 -6.252) 6.261 14.742 ( 3.740 0.000 2.912) 4.740 15.234 ( -10.789 -0.000 -1.163) 10.852 15.336 ( -3.414 -0.000 3.835) 5.135 15.456 ( -3.557 -0.000 -11.202) 11.753 15.457 ( -1.083 -0.000 3.324) 3.496 15.798 ( 9.521 0.000 -0.764) 9.552 16.051 ( -3.912 -0.000 1.536) 4.202 16.360 ( -3.619 -0.000 -3.223) 4.846 16.455 ( -0.568 -0.000 0.362) 0.673 16.778 ( 0.561 0.000 3.103) 3.154 16.964 ( -3.200 -0.000 2.069) 3.811 17.024 ( -5.877 -0.000 -0.411) 5.892 18.535 ( 16.923 0.000 -7.781) 18.627 19.499 ( 17.186 0.000 9.934) 19.851 19.804 ( 2.644 0.000 11.892) 12.183 20.273 ( -4.805 -0.000 -21.305) 21.840 21.097 ( -2.342 -0.000 -2.085) 3.136 21.582 ( -0.479 -0.000 1.499) 1.574 22.042 ( 1.907 0.000 -0.211) 1.919 22.106 ( -0.754 -0.000 0.130) 0.765 22.304 ( -11.104 -0.000 -3.308) 11.587 22.842 ( -4.287 -0.000 10.797) 11.617 ======================= Grid point 46 (29/172) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -9.906 6.116 -5.872) 13.039 3.440 ( 12.219 -8.101 -1.983) 14.794 3.966 ( 19.348 -5.923 2.174) 20.351 4.923 ( -6.073 10.131 0.243) 11.815 5.088 ( 12.267 5.638 0.801) 13.525 5.414 ( 9.868 0.038 4.192) 10.722 5.783 ( -2.978 4.710 -2.141) 5.970 5.883 ( -10.571 -0.305 1.503) 10.682 6.340 ( 9.290 11.811 -9.577) 17.819 6.548 ( -2.728 2.232 4.320) 5.575 6.712 ( -5.861 -0.365 0.794) 5.926 7.083 ( 6.350 -4.815 -1.409) 8.092 7.390 ( -17.707 2.890 4.699) 18.546 7.877 ( 0.435 -12.431 -0.633) 12.454 8.386 ( 1.618 8.045 -1.513) 8.344 8.774 ( 7.822 -3.813 2.646) 9.096 8.953 ( -1.844 -0.845 -2.454) 3.184 9.001 ( 3.826 1.168 1.627) 4.319 9.145 ( -2.122 -1.899 -0.409) 2.877 9.278 ( -2.006 1.852 3.342) 4.316 10.876 ( -0.321 2.351 -5.613) 6.093 11.199 ( 2.078 0.063 -5.441) 5.825 11.289 ( -7.524 2.258 4.030) 8.829 11.586 ( 1.338 0.734 4.688) 4.930 11.692 ( 2.678 4.221 -0.667) 5.043 11.935 ( 9.111 2.079 1.732) 9.504 11.978 ( 7.750 -0.617 -3.750) 8.631 12.150 ( 0.880 4.832 -3.110) 5.813 12.486 ( -3.003 2.881 3.891) 5.697 12.565 ( 5.031 3.784 -1.172) 6.404 12.735 ( -7.862 -3.075 0.319) 8.448 12.852 ( -1.700 -4.961 0.682) 5.288 13.270 ( 5.845 1.525 -2.347) 6.481 13.378 ( 6.975 0.716 2.231) 7.358 13.435 ( -4.367 1.599 -1.017) 4.761 13.801 ( 0.447 9.019 -7.292) 11.607 13.906 ( -14.437 1.374 9.129) 17.137 14.134 ( -0.830 0.609 -2.738) 2.925 14.899 ( 7.518 -8.879 2.418) 11.883 15.087 ( -2.738 8.106 1.358) 8.663 15.191 ( -7.015 -0.115 -1.680) 7.215 15.451 ( -0.850 -4.084 -0.729) 4.234 15.624 ( -0.921 -10.309 -3.180) 10.827 15.905 ( 2.964 -3.467 0.399) 4.579 16.030 ( 3.574 0.630 1.044) 3.777 16.245 ( -4.328 6.035 -0.896) 7.480 16.445 ( -1.539 0.158 -0.276) 1.571 16.837 ( -0.569 -5.743 1.582) 5.985 16.975 ( -2.781 -4.302 0.453) 5.143 17.037 ( -2.068 -6.423 -0.170) 6.750 18.674 ( 8.970 0.032 -4.748) 10.149 19.629 ( 9.515 13.720 11.264) 20.141 19.739 ( 4.112 6.396 4.992) 9.096 19.997 ( -6.372 15.241 -13.535) 21.357 21.150 ( -0.862 -8.206 -0.776) 8.288 21.717 ( -0.007 -10.848 -0.053) 10.848 22.082 ( 1.130 -2.634 -0.444) 2.900 22.183 ( -1.949 -8.757 3.335) 9.572 22.188 ( -4.119 -0.799 -5.449) 6.877 22.800 ( -3.009 1.912 5.384) 6.458 ======================= Grid point 47 (30/172) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -0.000 8.786 0.000) 8.786 3.676 ( 0.000 -10.415 -0.000) 10.415 4.224 ( 0.000 -7.488 -0.000) 7.488 4.665 ( -0.000 13.964 0.000) 13.964 5.034 ( -0.000 9.608 0.000) 9.608 5.409 ( -0.000 8.475 0.000) 8.475 5.650 ( -0.000 6.524 0.000) 6.524 5.819 ( -0.000 0.122 0.000) 0.122 6.049 ( -0.000 17.370 0.000) 17.370 6.655 ( 0.000 -6.079 -0.000) 6.079 6.703 ( 0.000 -4.893 -0.000) 4.893 7.171 ( -0.000 4.052 0.000) 4.052 7.218 ( 0.000 -1.082 -0.000) 1.082 8.112 ( 0.000 -12.108 -0.000) 12.108 8.202 ( -0.000 12.950 0.000) 12.950 8.923 ( 0.000 -6.810 -0.000) 6.810 8.926 ( -0.000 0.756 0.000) 0.756 9.045 ( 0.000 -2.047 -0.000) 2.047 9.186 ( -0.000 3.158 0.000) 3.158 9.198 ( 0.000 -2.343 -0.000) 2.343 10.821 ( -0.000 2.689 0.000) 2.689 11.145 ( -0.000 6.612 0.000) 6.612 11.258 ( 0.000 -2.867 -0.000) 2.867 11.583 ( -0.000 1.098 0.000) 1.098 11.625 ( -0.000 6.485 0.000) 6.485 11.919 ( -0.000 10.132 0.000) 10.132 11.929 ( -0.000 5.871 0.000) 5.871 12.073 ( -0.000 1.720 0.000) 1.720 12.365 ( -0.000 6.004 0.000) 6.004 12.666 ( 0.000 -2.715 -0.000) 2.715 12.699 ( 0.000 -0.980 -0.000) 0.980 12.960 ( 0.000 -7.506 -0.000) 7.506 13.299 ( -0.000 3.198 0.000) 3.198 13.304 ( -0.000 5.439 0.000) 5.439 13.385 ( -0.000 5.636 0.000) 5.636 13.677 ( -0.000 2.992 0.000) 2.992 13.784 ( 0.000 -0.055 -0.000) 0.055 14.112 ( 0.000 -0.225 -0.000) 0.225 14.917 ( -0.000 6.307 0.000) 6.307 15.160 ( 0.000 -4.097 -0.000) 4.097 15.196 ( 0.000 -10.447 -0.000) 10.447 15.530 ( 0.000 -4.617 -0.000) 4.617 15.733 ( 0.000 -3.503 -0.000) 3.503 15.958 ( 0.000 -2.377 -0.000) 2.377 16.069 ( -0.000 8.693 0.000) 8.693 16.167 ( 0.000 -8.619 -0.000) 8.619 16.434 ( 0.000 -1.652 -0.000) 1.652 16.964 ( 0.000 -9.129 -0.000) 9.129 17.055 ( 0.000 -6.137 -0.000) 6.137 17.150 ( 0.000 -7.132 -0.000) 7.132 18.722 ( -0.000 0.127 0.000) 0.127 19.205 ( -0.000 31.937 0.000) 31.937 19.601 ( -0.000 18.613 0.000) 18.613 19.860 ( 0.000 -4.079 -0.000) 4.079 21.319 ( 0.000 -10.526 -0.000) 10.526 21.846 ( 0.000 -4.081 -0.000) 4.081 22.118 ( -0.000 2.367 0.000) 2.367 22.151 ( 0.000 -3.949 -0.000) 3.949 22.488 ( 0.000 -21.662 -0.000) 21.662 22.730 ( -0.000 3.677 0.000) 3.677 ======================= Grid point 58 (31/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 0.000 0.000 0.000) 0.000 3.443 ( -0.000 -0.000 0.000) 0.000 4.032 ( -0.000 -0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 -0.000) 0.000 5.466 ( 0.000 0.000 -0.000) 0.000 5.820 ( 0.000 0.000 -0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 7.121 ( -0.000 -0.000 0.000) 0.000 7.256 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 -0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.807 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 -0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 -0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.276 ( 0.000 0.000 -0.000) 0.000 11.602 ( 0.000 0.000 -0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.034 ( 0.000 0.000 0.000) 0.000 12.224 ( -0.000 -0.000 0.000) 0.000 12.485 ( 0.000 0.000 -0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 12.642 ( 0.000 0.000 -0.000) 0.000 12.788 ( 0.000 0.000 0.000) 0.000 13.335 ( -0.000 -0.000 0.000) 0.000 13.378 ( 0.000 0.000 -0.000) 0.000 13.462 ( 0.000 0.000 0.000) 0.000 13.827 ( -0.000 -0.000 -0.000) 0.000 13.912 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.861 ( 0.000 0.000 0.000) 0.000 15.041 ( 0.000 0.000 0.000) 0.000 15.290 ( 0.000 0.000 0.000) 0.000 15.404 ( 0.000 0.000 -0.000) 0.000 15.457 ( 0.000 0.000 0.000) 0.000 15.892 ( 0.000 0.000 -0.000) 0.000 16.058 ( 0.000 0.000 0.000) 0.000 16.275 ( 0.000 0.000 -0.000) 0.000 16.449 ( 0.000 0.000 0.000) 0.000 16.785 ( 0.000 0.000 0.000) 0.000 16.931 ( 0.000 0.000 0.000) 0.000 16.949 ( 0.000 0.000 -0.000) 0.000 18.722 ( 0.000 0.000 -0.000) 0.000 19.775 ( 0.000 0.000 0.000) 0.000 19.864 ( 0.000 0.000 0.000) 0.000 20.126 ( 0.000 0.000 0.000) 0.000 21.063 ( 0.000 0.000 0.000) 0.000 21.578 ( 0.000 0.000 0.000) 0.000 22.065 ( 0.000 0.000 0.000) 0.000 22.101 ( 0.000 0.000 -0.000) 0.000 22.155 ( 0.000 0.000 0.000) 0.000 22.809 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/172) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -4.984 -0.000 27.585) 28.032 0.793 ( 36.820 0.000 36.237) 51.661 1.365 ( -9.574 -0.000 61.548) 62.288 3.366 ( 8.559 0.000 -22.921) 24.467 3.396 ( -10.378 -0.000 -15.846) 18.942 5.000 ( 0.977 0.000 -10.733) 10.778 5.584 ( -4.709 -0.000 11.625) 12.543 6.391 ( -7.197 -0.000 15.838) 17.396 7.110 ( -17.769 -0.000 -9.441) 20.121 7.345 ( -5.181 -0.000 -0.753) 5.235 7.443 ( 5.334 0.000 0.706) 5.380 7.456 ( -19.464 -0.000 3.070) 19.705 7.601 ( -1.914 -0.000 2.801) 3.392 7.786 ( -7.789 -0.000 -1.591) 7.950 8.160 ( -9.081 -0.000 2.978) 9.556 8.356 ( 3.336 0.000 -0.238) 3.344 8.902 ( 1.464 0.000 -2.873) 3.224 9.087 ( -1.955 -0.000 -5.531) 5.866 9.180 ( 4.458 0.000 -7.317) 8.568 9.425 ( 3.609 0.000 -9.763) 10.409 10.191 ( -1.168 -0.000 -3.239) 3.443 10.482 ( -0.413 -0.000 5.195) 5.212 10.546 ( 9.356 0.000 -2.965) 9.814 10.989 ( 1.047 0.000 -4.497) 4.617 11.366 ( -11.328 -0.000 -8.841) 14.370 11.499 ( 0.402 0.000 6.149) 6.162 11.600 ( 1.560 0.000 -0.349) 1.598 12.089 ( -6.540 -0.000 3.210) 7.285 12.289 ( -0.887 -0.000 8.733) 8.777 12.366 ( -0.181 -0.000 2.346) 2.353 12.727 ( 2.895 0.000 7.022) 7.596 12.899 ( 2.626 0.000 -2.189) 3.419 13.228 ( -59.730 -0.000 -4.074) 59.868 13.795 ( 3.363 0.000 0.499) 3.400 13.817 ( 2.062 0.000 5.115) 5.515 14.041 ( -12.682 -0.000 4.793) 13.558 14.818 ( -3.078 -0.000 -2.007) 3.674 15.000 ( 19.167 0.000 0.148) 19.167 15.059 ( -3.886 -0.000 1.857) 4.307 15.307 ( 2.555 0.000 -1.329) 2.880 15.627 ( 5.587 0.000 -2.992) 6.338 15.704 ( -2.394 -0.000 -3.803) 4.494 15.915 ( -12.478 -0.000 6.368) 14.009 15.964 ( -8.087 -0.000 1.129) 8.166 16.103 ( 3.439 0.000 0.048) 3.439 16.158 ( -5.280 -0.000 1.740) 5.559 16.439 ( 5.741 0.000 3.647) 6.801 16.791 ( 5.229 0.000 0.618) 5.266 17.061 ( -5.952 -0.000 -4.588) 7.515 17.300 ( 0.034 0.000 2.606) 2.607 17.526 ( 31.381 0.000 -2.299) 31.465 17.705 ( 6.334 0.000 -12.498) 14.012 18.908 ( -59.179 -0.000 8.234) 59.749 19.511 ( 5.540 0.000 -2.678) 6.153 21.226 ( -1.820 -0.000 2.561) 3.142 21.562 ( 1.740 0.000 -2.159) 2.773 21.903 ( 0.222 0.000 1.361) 1.379 22.208 ( -0.025 -0.000 -3.562) 3.562 23.314 ( -0.512 -0.000 5.589) 5.612 23.923 ( 25.564 0.000 -3.561) 25.811 ======================= Grid point 106 (33/172) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 19.423 -19.108 14.374) 30.806 1.486 ( 10.666 -24.179 37.612) 45.967 1.810 ( 37.309 -26.263 38.120) 59.455 3.353 ( -2.319 -3.258 -19.995) 20.391 3.454 ( 14.791 -2.610 -21.182) 25.967 4.925 ( -2.929 6.364 -7.020) 9.918 5.579 ( -0.549 -1.404 7.245) 7.400 6.217 ( -7.921 13.342 13.171) 20.353 6.949 ( 11.361 11.458 -6.694) 17.469 7.312 ( -0.684 2.750 0.081) 2.835 7.339 ( -2.941 2.765 0.202) 4.042 7.392 ( -4.157 -3.495 0.786) 5.488 7.619 ( 4.294 -0.868 2.603) 5.096 7.836 ( -1.155 -3.242 -3.977) 5.260 8.108 ( -4.978 -2.492 1.148) 5.684 8.417 ( 1.172 -4.483 3.522) 5.820 8.870 ( 1.394 3.983 -2.350) 4.831 9.076 ( 0.284 -1.081 -7.812) 7.891 9.202 ( 1.419 0.619 -6.334) 6.521 9.456 ( 0.518 -3.262 -6.653) 7.427 10.263 ( 6.017 -3.183 -2.695) 7.321 10.460 ( 2.487 2.837 1.074) 3.923 10.712 ( 3.749 -4.918 -4.813) 7.836 11.012 ( 12.367 1.430 -3.990) 13.073 11.293 ( 2.224 -0.319 -1.167) 2.531 11.526 ( -1.772 -1.604 3.393) 4.150 11.717 ( 4.920 -6.536 -0.116) 8.182 12.013 ( -3.416 1.274 5.858) 6.899 12.269 ( -1.838 1.987 6.491) 7.032 12.365 ( -0.571 0.247 3.193) 3.253 12.645 ( -6.566 6.005 2.164) 9.157 12.690 ( -4.029 6.147 9.665) 12.142 13.139 ( -0.975 -12.188 -7.270) 14.225 13.760 ( -4.251 2.874 1.515) 5.350 13.804 ( -1.559 3.894 1.260) 4.379 13.956 ( -8.764 -0.254 2.810) 9.207 14.759 ( -1.024 3.341 -4.187) 5.454 14.990 ( -8.368 2.011 1.849) 8.803 15.110 ( 6.732 5.307 1.947) 8.791 15.232 ( 2.006 0.867 5.909) 6.300 15.594 ( 2.365 3.773 -0.382) 4.469 15.686 ( -4.499 4.784 -0.774) 6.613 15.717 ( -3.423 4.141 -0.168) 5.375 15.910 ( -3.192 2.277 1.292) 4.128 16.102 ( -3.912 -1.301 0.632) 4.171 16.245 ( 2.892 -7.834 -0.058) 8.351 16.584 ( 7.286 -7.096 5.955) 11.786 16.878 ( -0.011 -6.979 2.054) 7.275 16.987 ( -6.465 -1.610 -6.437) 9.264 17.273 ( 3.006 2.987 1.010) 4.356 17.725 ( 0.268 -5.664 -10.956) 12.336 17.970 ( 10.428 -4.663 -3.914) 12.075 18.710 ( 14.914 1.549 -2.643) 15.226 19.597 ( 5.722 -2.321 0.080) 6.175 21.250 ( -1.701 -4.521 1.772) 5.145 21.587 ( 3.719 -0.988 1.211) 4.034 21.939 ( 0.990 -2.829 1.383) 3.300 22.121 ( 1.544 5.608 1.499) 6.007 23.258 ( -3.584 3.977 5.263) 7.507 23.981 ( -8.836 1.336 -6.076) 10.806 ======================= Grid point 107 (34/172) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 25.272 -19.602 6.891) 32.717 2.060 ( 0.890 -29.713 34.389) 45.457 2.908 ( 45.505 -32.668 19.710) 59.384 3.338 ( 0.678 0.211 -16.817) 16.832 3.748 ( 18.489 -11.012 -20.862) 29.972 4.673 ( -7.842 14.482 -0.112) 16.470 5.646 ( 2.235 -3.308 0.723) 4.057 5.837 ( -9.656 17.481 6.124) 20.888 6.684 ( -4.517 18.961 -2.857) 19.699 7.201 ( -3.018 6.184 -3.665) 7.796 7.322 ( 4.303 4.057 1.881) 6.206 7.511 ( 4.316 -6.102 2.358) 7.837 7.690 ( 8.025 1.271 -0.150) 8.126 7.827 ( 0.858 1.608 -8.923) 9.107 8.127 ( -6.699 -7.020 3.961) 10.481 8.521 ( -1.276 -4.956 5.423) 7.456 8.840 ( 3.820 1.535 -2.541) 4.838 9.070 ( -1.141 0.259 -6.951) 7.048 9.187 ( -1.366 -0.892 -6.634) 6.832 9.524 ( 0.636 -3.693 -2.721) 4.631 10.363 ( 6.089 0.007 -0.929) 6.159 10.484 ( 4.195 -2.350 0.025) 4.808 10.851 ( 6.965 -6.265 -4.793) 10.523 11.122 ( 8.287 0.793 -2.024) 8.568 11.360 ( 10.822 3.353 -4.063) 12.037 11.532 ( -3.663 -1.443 1.255) 4.132 11.882 ( 5.141 -5.541 3.805) 8.462 12.009 ( 1.277 -1.642 4.110) 4.607 12.221 ( -5.456 -1.159 3.323) 6.492 12.344 ( -2.269 2.376 2.935) 4.406 12.523 ( 1.688 8.373 4.730) 9.764 12.595 ( 3.542 2.389 -1.331) 4.475 13.293 ( 1.176 -5.171 -4.766) 7.129 13.615 ( -9.398 4.504 1.288) 10.501 13.698 ( -0.516 5.843 -2.767) 6.486 13.827 ( -11.420 1.407 6.767) 13.348 14.677 ( -1.391 3.152 -3.448) 4.874 14.807 ( -4.930 8.578 -0.832) 9.928 15.089 ( 1.125 2.582 3.760) 4.698 15.299 ( 2.659 -0.059 0.696) 2.749 15.462 ( -9.731 3.236 2.235) 10.495 15.538 ( -6.008 1.576 6.789) 9.201 15.700 ( -0.449 1.205 -2.850) 3.127 15.832 ( 6.377 6.369 -1.738) 9.179 16.068 ( -7.640 -1.761 0.739) 7.875 16.425 ( 3.727 -7.274 0.281) 8.178 16.795 ( -0.496 -9.043 4.649) 10.180 16.991 ( 0.551 -5.170 -5.767) 7.765 17.044 ( 8.221 -6.364 2.843) 10.778 17.283 ( 1.895 -1.097 -0.942) 2.384 17.735 ( -6.019 -1.767 -5.249) 8.180 18.173 ( 9.420 -7.188 2.206) 12.053 18.838 ( 19.845 7.924 -12.587) 24.800 19.702 ( 3.589 -2.697 2.249) 5.021 21.337 ( -1.541 -6.868 0.698) 7.073 21.690 ( 5.419 -3.971 2.195) 7.067 22.006 ( 2.938 -0.476 2.730) 4.039 22.093 ( 0.445 -1.568 0.001) 1.630 23.121 ( -6.197 5.908 5.401) 10.123 23.795 ( -12.199 3.158 -5.973) 13.945 ======================= Grid point 108 (35/172) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 24.861 -17.316 4.703) 30.660 2.645 ( 2.301 -28.663 27.174) 39.564 3.299 ( -0.682 1.853 -9.032) 9.245 3.946 ( 31.366 -27.696 3.055) 41.955 4.108 ( 15.158 -9.310 -7.021) 19.124 4.285 ( -8.085 16.311 -0.930) 18.228 5.440 ( -8.246 9.923 2.390) 13.122 5.774 ( 7.044 -1.497 -8.054) 10.804 6.300 ( -6.425 15.400 -0.514) 16.694 7.025 ( -5.818 8.019 -1.417) 10.008 7.243 ( -6.350 3.150 6.860) 9.865 7.620 ( 7.547 4.604 -5.876) 10.615 7.743 ( 9.370 3.367 -4.127) 10.778 7.856 ( 8.871 -1.502 1.731) 9.162 8.187 ( -7.028 -7.044 4.579) 10.953 8.568 ( -5.265 -4.438 6.427) 9.419 8.876 ( 2.321 -0.192 -2.674) 3.546 9.026 ( -1.628 1.031 -4.789) 5.162 9.195 ( -2.217 -3.757 -7.782) 8.921 9.565 ( 0.569 -0.376 -1.388) 1.546 10.441 ( 6.888 -1.486 -0.182) 7.048 10.618 ( 6.715 -4.438 1.144) 8.130 11.037 ( 7.315 -3.521 -6.122) 10.168 11.175 ( 3.788 -0.383 1.541) 4.107 11.378 ( 8.403 5.508 -5.882) 11.643 11.491 ( -5.449 -1.261 -1.847) 5.890 12.005 ( -2.240 -3.168 13.363) 13.914 12.085 ( 6.741 2.041 -3.958) 8.079 12.173 ( 0.999 9.680 -1.504) 9.847 12.250 ( -6.185 -7.824 1.231) 10.049 12.495 ( 3.330 0.477 7.130) 7.884 12.643 ( 8.485 0.216 -2.687) 8.903 13.305 ( -4.354 2.145 1.336) 5.034 13.420 ( -11.441 3.197 1.878) 12.027 13.588 ( 0.141 5.013 -4.669) 6.852 13.732 ( -3.505 -0.127 5.679) 6.675 14.569 ( -14.417 1.048 0.376) 14.460 14.654 ( 8.482 7.759 -5.168) 12.603 15.031 ( 1.207 6.139 2.223) 6.639 15.207 ( -1.422 6.672 -10.811) 12.783 15.424 ( -9.337 -3.140 6.610) 11.863 15.458 ( -4.391 -1.384 10.696) 11.645 15.617 ( -2.297 4.598 -0.110) 5.141 15.864 ( 0.558 -2.424 1.758) 3.046 16.002 ( -1.997 0.887 -1.871) 2.876 16.560 ( 2.347 -3.826 0.567) 4.524 16.919 ( -2.639 -8.117 1.055) 8.601 17.100 ( 2.000 -4.991 -3.920) 6.654 17.245 ( 8.921 -0.266 2.596) 9.295 17.402 ( 6.921 -9.363 1.056) 11.691 17.669 ( -5.712 -0.154 -4.109) 7.038 18.397 ( 5.466 -5.557 6.232) 9.980 18.873 ( 16.477 7.291 -13.985) 22.808 19.759 ( -0.784 -1.041 3.500) 3.735 21.441 ( -1.169 -6.405 -0.816) 6.561 21.836 ( 4.624 -5.115 1.265) 7.011 22.018 ( 2.788 2.224 2.342) 4.267 22.172 ( 0.817 -4.914 -1.863) 5.319 22.947 ( -6.417 6.213 7.321) 11.549 23.602 ( -9.401 2.902 -7.129) 12.150 ======================= Grid point 109 (36/172) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 11.090 -3.897 6.715) 13.538 3.138 ( -0.578 -17.639 21.198) 27.583 3.276 ( 3.431 -2.910 -3.936) 5.977 3.912 ( -4.289 11.419 -0.726) 12.220 4.114 ( -8.744 1.647 -16.854) 19.059 4.787 ( 23.223 -19.395 13.121) 32.979 5.422 ( 10.048 -6.392 -4.976) 12.907 5.819 ( 3.014 1.950 -8.714) 9.425 6.058 ( -0.157 6.485 -4.120) 7.685 6.787 ( -10.223 8.060 2.204) 13.203 7.119 ( -9.916 1.653 7.855) 12.758 7.541 ( 6.972 10.075 -7.378) 14.302 7.779 ( 8.762 3.931 -2.002) 9.810 8.042 ( 10.379 -4.020 4.279) 11.924 8.222 ( -4.480 -4.742 6.878) 9.479 8.561 ( -11.140 -3.214 5.342) 12.766 8.858 ( -0.928 2.415 -2.683) 3.727 9.011 ( 1.843 -0.291 -4.673) 5.032 9.232 ( -1.404 -4.072 -8.783) 9.782 9.554 ( 0.286 1.500 -1.679) 2.269 10.573 ( 8.115 -2.729 1.421) 8.679 10.757 ( 4.724 -2.634 2.495) 5.957 11.007 ( -4.736 3.573 -2.318) 6.370 11.313 ( 8.930 0.698 -4.730) 10.129 11.353 ( 2.797 -1.051 2.300) 3.770 11.516 ( 0.990 -5.655 -9.918) 11.460 11.897 ( -2.103 12.017 2.006) 12.363 11.984 ( -6.597 -0.022 4.805) 8.161 12.215 ( 7.438 -0.348 -1.119) 7.530 12.350 ( -3.619 -6.968 3.751) 8.701 12.544 ( 1.307 -1.693 2.364) 3.188 12.777 ( 10.343 -2.997 1.186) 10.833 13.140 ( -12.431 3.439 5.938) 14.199 13.283 ( -5.381 2.470 2.408) 6.392 13.521 ( -0.239 3.180 -2.586) 4.105 13.765 ( 6.639 -0.600 1.927) 6.939 14.389 ( -10.030 2.079 -2.862) 10.636 14.635 ( 3.726 3.268 -2.330) 5.477 14.933 ( -0.672 5.120 -2.019) 5.545 15.064 ( 1.098 6.008 -13.261) 14.601 15.350 ( -10.139 -1.095 9.605) 14.009 15.459 ( -2.923 0.109 -0.492) 2.966 15.563 ( 0.486 -0.512 7.611) 7.643 15.836 ( -7.543 -0.282 8.205) 11.149 16.065 ( 6.886 -3.123 -2.029) 7.829 16.617 ( 1.797 -0.136 -0.109) 1.806 17.007 ( -3.721 -4.746 0.900) 6.098 17.183 ( 3.365 -1.445 -2.785) 4.601 17.307 ( 2.499 -1.347 -2.686) 3.908 17.553 ( -1.649 1.007 -3.094) 3.647 17.747 ( 8.867 -10.016 3.861) 13.923 18.435 ( -6.717 1.437 7.996) 10.541 18.989 ( 19.545 0.959 -12.627) 23.289 19.727 ( -5.402 1.093 4.000) 6.809 21.517 ( -1.134 -3.941 -2.810) 4.971 21.936 ( 0.032 -1.706 0.810) 1.889 22.039 ( 4.234 -0.696 -0.276) 4.299 22.238 ( -0.359 -2.704 -4.174) 4.986 22.796 ( -3.811 5.852 10.407) 12.533 23.479 ( -4.116 0.351 -6.307) 7.539 ======================= Grid point 110 (37/172) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -3.500 6.816 5.856) 9.644 3.098 ( -16.173 11.827 6.342) 21.016 3.290 ( -6.099 9.390 -10.581) 15.405 3.955 ( 2.303 -13.839 8.845) 16.585 4.074 ( 7.389 -7.536 -4.064) 11.310 5.205 ( 9.563 -2.550 11.869) 15.453 5.669 ( 4.607 -5.965 -5.815) 9.519 5.821 ( 3.759 -2.872 -2.290) 5.256 6.036 ( 4.786 -1.502 -12.267) 13.253 6.563 ( -8.605 2.893 0.939) 9.126 6.976 ( -12.460 1.690 9.714) 15.889 7.464 ( 7.972 6.015 -7.173) 12.296 7.805 ( 7.936 3.986 -1.910) 9.084 8.148 ( -7.733 -5.085 9.929) 13.573 8.347 ( 9.006 -3.487 4.052) 10.473 8.452 ( -11.109 -0.667 6.091) 12.687 8.759 ( -0.800 6.708 -6.399) 9.305 9.046 ( 2.677 -0.747 -5.362) 6.040 9.262 ( 0.789 -0.734 -7.653) 7.729 9.526 ( -0.331 1.098 -2.579) 2.823 10.640 ( -2.253 1.438 0.847) 2.804 10.817 ( 1.484 0.867 4.737) 5.040 10.953 ( 0.637 -3.478 -1.829) 3.981 11.259 ( 0.467 4.277 -4.441) 6.183 11.488 ( 5.335 1.314 0.736) 5.543 11.620 ( 0.671 -6.519 -9.134) 11.242 11.787 ( 4.513 -1.139 2.505) 5.286 11.896 ( -7.921 0.886 -1.367) 8.087 12.246 ( 0.855 3.330 9.198) 9.820 12.408 ( -7.323 -6.570 -0.633) 9.859 12.635 ( 7.897 -3.437 0.865) 8.656 12.894 ( -0.286 2.261 7.335) 7.680 13.022 ( -5.376 -4.478 4.235) 8.178 13.207 ( -1.978 1.702 1.434) 2.978 13.452 ( -2.032 1.645 -1.329) 2.933 13.872 ( 6.525 -0.418 2.660) 7.059 14.284 ( -1.866 0.233 -4.628) 4.996 14.593 ( 2.970 4.610 -5.496) 7.764 14.877 ( -1.058 -1.815 -2.245) 3.075 14.995 ( 4.555 4.179 -13.785) 15.107 15.268 ( -9.777 -1.403 10.590) 14.481 15.421 ( -2.839 -0.268 -0.811) 2.964 15.628 ( 4.560 -1.150 4.423) 6.456 15.792 ( -2.792 -0.568 8.714) 9.168 16.199 ( 5.206 -3.349 4.719) 7.783 16.613 ( 2.081 2.885 -1.247) 3.770 16.981 ( -7.217 0.047 -1.511) 7.374 17.204 ( 2.942 2.901 -1.835) 4.521 17.361 ( 1.945 -1.922 -3.321) 4.302 17.508 ( -0.006 1.177 -4.980) 5.117 17.983 ( 0.267 -5.358 6.987) 8.809 18.304 ( -7.980 1.158 5.497) 9.759 19.184 ( 16.216 -0.301 -8.926) 18.512 19.635 ( -7.315 0.697 4.280) 8.503 21.533 ( -2.018 -0.478 -4.856) 5.281 21.931 ( -0.421 0.948 0.626) 1.212 22.065 ( -1.896 1.250 -1.994) 3.022 22.259 ( -0.094 -1.137 -5.194) 5.318 22.704 ( 0.665 3.726 10.373) 11.042 23.483 ( 2.472 -2.460 -3.553) 4.978 ======================= Grid point 111 (38/172) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -7.665 3.881 -0.893) 8.638 2.588 ( -19.194 20.985 2.559) 28.554 2.890 ( -11.019 14.525 -12.350) 22.021 4.216 ( -3.877 -8.967 6.329) 11.641 4.298 ( 6.021 -0.906 2.316) 6.514 5.158 ( 0.538 10.991 15.878) 19.318 5.713 ( -6.173 -3.133 0.152) 6.924 5.907 ( -4.024 -6.552 -2.239) 8.008 6.179 ( 6.318 -7.735 -4.866) 11.110 6.594 ( 6.816 -7.684 -9.734) 14.151 6.837 ( -9.475 -0.471 9.553) 13.463 7.512 ( 8.579 -1.927 -7.982) 11.875 7.782 ( 0.143 4.652 -3.108) 5.597 8.145 ( -6.911 -2.782 9.778) 12.292 8.299 ( -12.745 -2.651 8.364) 15.474 8.518 ( 2.115 4.074 1.628) 4.870 8.667 ( 10.574 2.022 -5.720) 12.191 9.064 ( 2.937 1.246 -7.239) 7.911 9.234 ( 2.686 4.977 -5.541) 7.918 9.501 ( -0.849 0.480 -4.287) 4.397 10.546 ( -9.429 -0.396 0.252) 9.441 10.765 ( -5.139 2.045 2.712) 6.160 11.030 ( 0.597 2.538 -5.469) 6.059 11.224 ( 4.274 -2.176 1.905) 5.161 11.487 ( 3.472 1.324 3.498) 5.103 11.731 ( -0.503 -5.992 -7.282) 9.444 11.759 ( -8.217 3.836 -4.871) 10.294 11.941 ( 3.928 -5.129 -0.670) 6.494 12.201 ( -3.808 -1.294 13.954) 14.522 12.419 ( -9.259 -5.985 0.277) 11.029 12.690 ( -0.931 7.311 4.867) 8.832 12.949 ( 8.361 -7.224 4.892) 12.084 13.020 ( -5.905 -0.939 4.460) 7.459 13.206 ( 2.254 -1.741 -0.213) 2.856 13.453 ( 0.566 -2.819 -5.137) 5.887 13.900 ( -2.010 -0.523 6.963) 7.266 14.347 ( 9.900 -1.582 -4.598) 11.030 14.595 ( 7.015 -0.871 -8.132) 10.775 14.941 ( 2.674 -2.910 0.773) 4.027 14.951 ( -0.742 0.822 -10.039) 10.100 15.225 ( -5.091 -1.772 7.330) 9.099 15.409 ( -0.872 -1.202 -0.204) 1.499 15.695 ( 5.681 0.823 0.039) 5.740 15.827 ( -0.528 -3.553 7.286) 8.124 16.303 ( 3.765 -0.754 11.400) 12.030 16.564 ( 2.140 5.062 -2.538) 6.054 16.866 ( -8.143 1.544 -4.239) 9.309 17.152 ( 2.296 5.890 -2.881) 6.947 17.373 ( -0.272 1.684 -0.535) 1.787 17.502 ( 4.108 1.535 -7.232) 8.458 17.872 ( -17.138 3.829 9.564) 19.996 18.304 ( -1.829 -2.188 0.318) 2.869 19.322 ( 7.923 -1.286 -3.958) 8.950 19.587 ( -5.481 -3.229 3.840) 7.430 21.474 ( -2.816 2.699 -5.820) 7.006 21.910 ( 0.202 1.732 0.060) 1.745 21.950 ( -5.979 5.131 -0.241) 7.883 22.230 ( -0.979 3.163 -4.255) 5.391 22.744 ( 5.382 -2.483 6.549) 8.833 23.586 ( 7.629 -2.365 -2.039) 8.243 ======================= Grid point 112 (39/172) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -18.195 24.030 5.959) 30.725 2.087 ( -22.334 18.723 -1.041) 29.162 2.780 ( 5.376 -4.760 -19.165) 20.466 3.848 ( -21.819 28.460 8.647) 36.889 4.349 ( -8.681 -2.123 2.920) 9.402 5.009 ( -4.461 7.023 9.898) 12.931 5.721 ( -5.824 -5.657 10.424) 13.213 6.051 ( -0.588 -12.812 -6.788) 14.511 6.361 ( -2.447 -11.178 10.393) 15.458 6.802 ( 10.359 -5.597 -13.809) 18.147 6.924 ( 7.222 -10.018 1.203) 12.409 7.643 ( -9.052 3.538 -2.063) 9.936 7.664 ( 6.962 -4.057 -5.033) 9.500 8.094 ( -3.355 0.666 -0.972) 3.556 8.287 ( -2.947 -0.974 10.091) 10.558 8.405 ( -4.998 0.719 0.690) 5.097 8.796 ( 9.736 1.375 -1.365) 9.927 9.052 ( 2.319 1.958 -6.500) 7.174 9.164 ( 5.277 5.775 -4.741) 9.147 9.465 ( 0.403 2.395 -6.711) 7.137 10.458 ( -11.010 -2.794 0.096) 11.359 10.664 ( -7.832 0.961 1.292) 7.996 10.890 ( -3.824 6.903 -4.934) 9.307 11.364 ( 2.993 -1.800 3.824) 5.179 11.522 ( -4.430 -2.073 -1.876) 5.239 11.578 ( 0.730 5.499 -2.020) 5.903 11.747 ( -8.557 -1.577 0.652) 8.725 11.993 ( -1.194 -2.948 -3.158) 4.482 12.303 ( -1.386 -7.246 4.070) 8.425 12.405 ( -7.969 -2.589 8.662) 12.051 12.540 ( -2.876 3.849 8.061) 9.385 12.899 ( -9.232 0.625 3.433) 9.869 13.268 ( 9.957 -4.956 3.780) 11.747 13.324 ( 12.071 -7.178 -3.526) 14.480 13.522 ( 1.903 -5.260 -9.044) 10.634 13.931 ( -1.335 -4.224 12.696) 13.447 14.493 ( 7.958 -3.289 -3.749) 9.391 14.735 ( 6.267 -5.964 -3.768) 9.436 14.926 ( 0.182 0.008 -5.097) 5.100 15.022 ( 4.537 -1.518 -0.994) 4.886 15.227 ( -1.240 -1.631 2.522) 3.249 15.457 ( 2.411 -3.404 1.139) 4.324 15.738 ( 3.740 0.162 -0.974) 3.868 15.895 ( -2.284 -4.304 3.961) 6.280 16.336 ( 0.946 2.695 13.795) 14.087 16.485 ( 1.642 5.656 -2.159) 6.273 16.746 ( -5.455 2.278 -5.001) 7.743 17.048 ( 2.694 8.477 -3.736) 9.647 17.307 ( -1.298 4.456 0.165) 4.645 17.491 ( 2.937 4.241 -6.096) 7.986 17.618 ( -14.282 3.849 6.874) 16.311 18.243 ( -7.137 2.839 -3.586) 8.477 19.422 ( 2.610 -3.649 -2.356) 5.068 19.615 ( -11.817 -9.869 5.929) 16.498 21.374 ( -1.430 4.391 -4.332) 6.332 21.749 ( -6.599 7.760 1.047) 10.240 21.903 ( 0.922 1.024 0.219) 1.395 22.137 ( -0.451 5.205 -2.881) 5.966 22.899 ( 6.650 -5.502 3.487) 9.309 23.709 ( 11.549 0.994 -2.743) 11.911 ======================= Grid point 113 (40/172) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -11.093 28.400 7.966) 31.513 1.482 ( -26.714 17.114 9.242) 33.045 2.732 ( -18.754 24.497 3.026) 31.000 3.171 ( -4.437 6.238 -6.542) 10.069 4.109 ( -21.054 8.444 -3.431) 22.942 4.916 ( -1.938 -0.960 1.117) 2.435 5.727 ( -8.418 -1.502 9.713) 12.941 6.231 ( -5.762 -11.399 12.066) 17.570 6.657 ( 2.372 -20.940 -0.174) 21.075 7.031 ( 12.160 -7.227 -11.814) 18.430 7.211 ( 10.770 -9.294 -1.675) 14.324 7.491 ( -8.249 1.266 -0.546) 8.363 7.705 ( 3.585 5.972 1.857) 7.208 8.107 ( -10.811 -9.208 -2.898) 14.494 8.244 ( 4.377 2.996 -2.171) 5.731 8.403 ( -4.404 -1.013 7.436) 8.702 8.810 ( 1.872 1.623 -1.739) 3.027 9.053 ( 2.832 0.313 -4.935) 5.699 9.160 ( 6.900 2.692 -4.650) 8.745 9.415 ( 3.823 4.086 -9.196) 10.765 10.377 ( -10.106 -1.687 -1.775) 10.398 10.566 ( -8.050 -0.082 2.354) 8.387 10.728 ( -3.668 5.739 -3.067) 7.470 11.197 ( -13.243 5.799 -5.321) 15.405 11.547 ( 2.542 0.218 -1.262) 2.846 11.591 ( 4.750 5.027 4.282) 8.134 11.636 ( -14.356 -5.326 1.180) 15.357 12.048 ( 1.851 -2.903 -4.388) 5.577 12.319 ( -12.653 -2.479 12.673) 18.079 12.343 ( 0.510 0.360 2.518) 2.594 12.619 ( 1.151 -6.150 9.534) 11.404 12.811 ( -6.842 -1.775 0.174) 7.071 13.390 ( 0.920 -4.788 2.526) 5.491 13.604 ( 13.617 -3.895 -4.353) 14.817 13.670 ( 5.484 -7.107 -8.533) 12.385 14.085 ( 0.582 -12.125 15.191) 19.445 14.599 ( -0.161 -3.912 -4.822) 6.211 14.880 ( 3.215 2.619 0.493) 4.176 14.938 ( -1.375 -9.665 3.509) 10.373 15.108 ( 8.390 0.987 -4.530) 9.585 15.265 ( 5.217 -0.441 -0.632) 5.274 15.584 ( 4.561 -6.021 1.838) 7.774 15.778 ( -1.581 -3.439 -0.947) 3.902 15.934 ( -4.452 -4.851 2.787) 7.149 16.277 ( -2.723 4.350 6.918) 8.614 16.394 ( -0.230 6.305 2.579) 6.816 16.633 ( -2.132 5.516 -2.139) 6.289 16.918 ( 5.049 10.474 -3.689) 12.198 17.206 ( -1.133 4.762 0.021) 4.895 17.377 ( -11.252 0.538 4.724) 12.215 17.490 ( 7.937 8.697 -6.996) 13.696 18.063 ( -9.641 4.904 -6.791) 12.772 19.475 ( 3.547 0.899 -6.243) 7.237 19.666 ( -34.599 -24.040 6.672) 42.656 21.298 ( 2.292 4.065 1.082) 4.790 21.554 ( -4.668 6.378 1.843) 8.116 21.907 ( 1.224 -0.081 1.669) 2.072 22.044 ( 0.824 4.816 -1.776) 5.199 23.076 ( 6.314 -5.254 2.427) 8.565 23.788 ( 16.388 8.222 -4.804) 18.954 ======================= Grid point 114 (41/172) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -2.992 24.970 17.239) 30.490 0.946 ( -21.958 15.003 21.514) 34.207 1.832 ( -27.139 35.060 39.601) 59.447 3.264 ( 6.662 -5.702 -22.620) 24.260 3.682 ( -20.361 8.612 -9.634) 24.116 4.962 ( 1.689 -3.344 -7.279) 8.187 5.646 ( -8.057 0.612 11.641) 14.171 6.362 ( -8.676 -9.813 15.834) 20.550 7.030 ( -0.325 -18.001 -9.883) 20.538 7.273 ( 9.935 -7.345 -4.537) 13.162 7.413 ( -4.107 0.035 0.209) 4.113 7.446 ( 7.205 -4.785 -2.564) 9.022 7.622 ( 0.106 4.476 3.344) 5.588 8.056 ( -27.221 -9.132 -0.881) 28.726 8.281 ( -4.303 1.396 -1.407) 4.737 8.316 ( 2.629 2.825 2.188) 4.436 8.851 ( 1.958 -3.254 -2.211) 4.394 9.078 ( 2.391 -0.689 -4.908) 5.503 9.173 ( 3.377 2.091 -5.825) 7.050 9.399 ( 6.758 2.728 -10.655) 12.909 10.278 ( -6.643 1.331 -4.248) 7.997 10.494 ( -6.715 -0.764 3.057) 7.418 10.594 ( -1.051 5.967 0.026) 6.059 11.001 ( -8.322 -0.612 -6.136) 10.358 11.450 ( -7.935 0.792 1.907) 8.200 11.586 ( 1.060 4.859 -2.488) 5.561 11.602 ( -0.904 -0.622 -1.120) 1.568 12.102 ( -3.446 -4.238 0.459) 5.482 12.281 ( -5.927 -2.722 12.312) 13.933 12.358 ( 0.479 -0.436 2.904) 2.975 12.678 ( -2.181 -2.006 4.340) 5.255 12.842 ( -1.555 -5.064 2.504) 5.859 13.491 ( -9.637 -11.567 -0.244) 15.058 13.756 ( 5.035 -2.011 -2.581) 6.005 13.793 ( 2.759 -2.082 -7.571) 8.322 14.269 ( -19.493 -8.420 -3.671) 21.549 14.686 ( 14.333 -4.007 7.742) 16.776 14.848 ( -1.102 -0.155 0.992) 1.491 15.097 ( 2.585 1.867 -0.591) 3.244 15.157 ( -0.587 -9.082 7.838) 12.011 15.409 ( 12.666 -5.049 -2.772) 13.914 15.720 ( 0.190 -2.446 -0.212) 2.463 15.841 ( -1.682 -9.075 1.099) 9.295 15.995 ( -5.278 -6.496 3.259) 8.982 16.169 ( -2.961 4.038 1.404) 5.200 16.267 ( -2.980 5.902 4.274) 7.873 16.486 ( -0.835 8.670 0.976) 8.765 16.802 ( 8.942 10.850 -1.824) 14.178 17.128 ( -1.744 2.386 -2.035) 3.588 17.288 ( -7.584 -2.004 4.311) 8.951 17.434 ( 18.588 13.427 -6.456) 23.822 17.844 ( -9.552 5.448 -11.038) 15.581 19.476 ( 0.236 0.132 -5.589) 5.596 19.559 ( -64.349 -23.952 -9.105) 69.263 21.269 ( 0.143 3.069 4.009) 5.051 21.494 ( 2.426 -2.004 3.946) 5.047 21.922 ( 0.042 1.336 1.721) 2.179 22.044 ( 3.907 -5.548 4.325) 8.046 23.227 ( 5.093 -3.902 4.067) 7.596 23.782 ( 27.165 18.921 -3.966) 33.342 ======================= Grid point 116 (42/172) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 34.386 0.000 12.262) 36.507 1.458 ( 11.279 0.000 45.922) 47.287 2.242 ( 58.230 0.000 30.989) 65.963 3.347 ( 11.635 0.000 -25.816) 28.317 3.571 ( 14.915 0.000 -18.503) 23.766 4.923 ( -5.686 -0.000 -7.688) 9.562 5.579 ( 1.194 0.000 5.151) 5.288 6.326 ( -3.413 -0.000 13.457) 13.883 7.219 ( -8.534 -0.000 -2.405) 8.867 7.236 ( 2.704 0.000 -11.018) 11.345 7.246 ( -14.555 -0.000 -0.969) 14.587 7.452 ( 21.822 0.000 -15.068) 26.519 7.706 ( 8.232 0.000 5.728) 10.028 7.708 ( -6.996 -0.000 4.193) 8.157 8.139 ( 5.813 0.000 -6.037) 8.380 8.337 ( -5.647 -0.000 6.650) 8.725 8.929 ( 2.043 0.000 -2.795) 3.462 9.058 ( 1.157 0.000 -9.125) 9.198 9.221 ( 0.765 0.000 -4.219) 4.288 9.387 ( -2.953 -0.000 -6.624) 7.252 10.345 ( 13.147 0.000 -3.763) 13.675 10.579 ( -4.470 -0.000 -12.271) 13.060 10.643 ( 12.528 0.000 1.463) 12.613 11.159 ( 9.225 0.000 3.495) 9.864 11.398 ( 14.735 0.000 -5.824) 15.844 11.509 ( -0.130 -0.000 6.815) 6.816 11.723 ( 7.826 0.000 2.622) 8.254 12.001 ( -2.560 -0.000 -1.018) 2.755 12.224 ( -8.794 -0.000 11.867) 14.770 12.364 ( -0.879 -0.000 3.631) 3.736 12.654 ( 3.368 0.000 -2.340) 4.101 12.867 ( 7.808 0.000 -3.177) 8.429 13.002 ( 6.404 0.000 0.206) 6.407 13.705 ( -10.447 -0.000 5.715) 11.908 13.803 ( -5.920 -0.000 4.860) 7.659 13.876 ( -6.919 -0.000 -1.328) 7.046 14.804 ( 4.208 0.000 -4.726) 6.328 14.827 ( -15.598 -0.000 1.729) 15.694 15.161 ( -1.608 -0.000 5.640) 5.865 15.282 ( -6.087 -0.000 0.389) 6.100 15.615 ( -4.833 -0.000 0.064) 4.833 15.646 ( -8.268 -0.000 1.382) 8.383 15.734 ( 1.490 0.000 -4.214) 4.470 15.853 ( -2.965 -0.000 -0.623) 3.030 16.158 ( 4.573 0.000 0.141) 4.575 16.227 ( 8.474 0.000 -0.707) 8.504 16.586 ( -0.228 -0.000 4.253) 4.259 16.801 ( -1.098 -0.000 4.759) 4.884 16.934 ( 4.328 0.000 -6.538) 7.841 17.339 ( 1.086 0.000 1.250) 1.656 17.623 ( -7.177 -0.000 1.997) 7.450 18.023 ( 13.303 0.000 0.404) 13.310 19.106 ( 37.721 0.000 -34.137) 50.875 19.656 ( 6.854 0.000 3.773) 7.824 21.193 ( -1.540 -0.000 1.223) 1.967 21.595 ( 1.401 0.000 -0.900) 1.665 21.920 ( 0.895 0.000 1.460) 1.712 22.178 ( -1.443 -0.000 -3.791) 4.056 23.230 ( -8.354 -0.000 4.538) 9.507 23.828 ( -16.841 -0.000 6.916) 18.205 ======================= Grid point 117 (43/172) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 34.777 -10.976 4.679) 36.767 1.822 ( 14.780 -14.543 37.603) 42.941 3.096 ( 53.566 -15.470 23.078) 60.343 3.441 ( 15.122 4.152 -23.643) 28.371 3.788 ( 19.093 -6.210 -17.609) 26.705 4.761 ( -10.024 7.002 -2.618) 12.505 5.623 ( 1.770 -1.529 -0.240) 2.351 6.114 ( -2.089 19.040 7.367) 20.522 6.871 ( -15.004 14.253 -3.185) 20.938 7.188 ( -7.396 -0.776 -3.284) 8.129 7.301 ( -6.665 -8.093 2.099) 10.692 7.498 ( -2.928 -0.854 1.329) 3.326 7.791 ( 13.164 -0.259 -8.484) 15.664 7.826 ( 9.455 -0.858 2.027) 9.708 8.088 ( -0.312 5.193 -2.456) 5.752 8.389 ( -3.803 -7.593 4.093) 9.427 8.920 ( 2.352 2.251 -1.773) 3.707 9.046 ( -1.965 -0.003 -8.181) 8.413 9.179 ( -0.632 2.825 -4.606) 5.440 9.423 ( -0.874 -6.284 -2.863) 6.960 10.473 ( 8.916 2.602 -8.311) 12.463 10.531 ( 7.413 -0.545 -4.715) 8.802 10.859 ( 13.440 -4.543 -2.995) 14.499 11.236 ( 6.747 1.826 6.249) 9.376 11.497 ( 0.645 2.028 4.003) 4.534 11.561 ( 10.808 0.835 -3.505) 11.393 11.860 ( 4.622 -3.003 4.993) 7.437 11.983 ( -1.872 -4.428 -3.170) 5.758 12.172 ( 2.280 2.535 4.569) 5.701 12.356 ( -1.525 0.309 4.751) 5.000 12.686 ( 4.139 2.368 -0.998) 4.872 12.792 ( 10.232 12.358 -3.385) 16.398 13.208 ( 5.201 -7.568 -3.675) 9.890 13.548 ( -13.592 2.919 5.978) 15.133 13.720 ( -6.910 0.226 3.147) 7.596 13.756 ( -7.976 3.077 -2.099) 8.803 14.597 ( -15.843 3.045 1.340) 16.189 14.895 ( 6.829 -0.295 -4.436) 8.149 15.134 ( -6.209 0.626 3.038) 6.941 15.223 ( -5.794 -5.203 4.197) 8.847 15.474 ( -4.772 7.052 3.932) 9.379 15.534 ( -5.208 5.761 -2.223) 8.078 15.706 ( -2.099 1.402 -4.541) 5.196 15.840 ( -6.189 -2.936 1.047) 6.930 16.150 ( 7.242 8.050 -1.347) 10.912 16.350 ( 3.167 -4.854 0.375) 5.808 16.607 ( -5.602 -7.670 0.296) 9.502 16.873 ( -0.862 -7.146 2.189) 7.523 17.096 ( 17.089 -4.318 -2.378) 17.786 17.323 ( 0.994 2.145 1.841) 2.997 17.577 ( -10.296 -4.880 4.299) 12.178 18.249 ( 19.725 -2.298 -0.843) 19.876 19.286 ( 24.749 13.224 -29.150) 40.462 19.745 ( 6.140 0.064 6.672) 9.068 21.219 ( -1.239 -4.557 0.528) 4.752 21.657 ( 2.271 -4.745 -0.342) 5.271 21.973 ( 1.483 -4.081 0.798) 4.415 22.129 ( -0.416 2.432 -1.687) 2.989 23.098 ( -11.405 2.318 3.755) 12.229 23.651 ( -15.502 0.078 4.805) 16.230 ======================= Grid point 118 (44/172) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 30.579 -13.687 0.689) 33.509 2.372 ( 17.118 -19.955 28.313) 38.637 3.462 ( 13.452 8.621 -14.523) 21.592 3.924 ( 26.999 -12.643 -6.738) 30.565 4.144 ( 25.222 -11.880 4.226) 28.198 4.478 ( -5.712 12.662 3.626) 14.356 5.545 ( -4.802 9.516 -0.786) 10.688 5.887 ( 8.698 6.925 -5.283) 12.309 6.456 ( -11.943 13.806 -2.227) 18.391 7.064 ( -7.900 4.707 0.525) 9.211 7.176 ( -15.815 2.424 4.507) 16.622 7.654 ( -0.195 -11.151 2.608) 11.453 7.878 ( 6.251 2.098 -3.129) 7.298 7.917 ( 10.637 3.925 -1.470) 11.433 8.073 ( 3.176 -3.582 -1.180) 4.931 8.432 ( -8.004 -3.716 4.699) 9.998 8.921 ( 1.942 1.224 0.703) 2.400 9.005 ( -1.889 -1.066 -7.988) 8.277 9.126 ( -1.004 1.135 -4.785) 5.019 9.514 ( -0.792 -4.522 -0.928) 4.684 10.531 ( 10.554 0.392 -7.483) 12.943 10.651 ( 8.006 -2.165 -3.596) 9.039 11.076 ( 11.485 -2.393 -3.505) 12.244 11.283 ( 8.211 3.236 8.149) 12.013 11.440 ( -2.470 2.354 2.618) 4.301 11.597 ( 8.150 6.263 -7.384) 12.656 11.929 ( -2.517 -3.740 9.008) 10.073 12.045 ( -6.115 -5.197 0.717) 8.057 12.241 ( 14.070 2.365 -5.840) 15.416 12.315 ( -0.987 3.935 3.963) 5.671 12.611 ( 2.426 8.259 5.184) 10.048 12.777 ( 10.599 2.825 -5.078) 12.087 13.299 ( -2.529 1.812 0.762) 3.203 13.334 ( -11.658 2.426 4.235) 12.639 13.621 ( -4.345 2.625 -3.561) 6.201 13.696 ( -1.152 -3.022 1.441) 3.541 14.378 ( -16.100 0.647 0.815) 16.134 14.896 ( 7.020 8.620 -4.815) 12.115 15.104 ( -4.483 -4.042 0.569) 6.062 15.212 ( -9.719 1.859 3.067) 10.360 15.334 ( -2.409 5.596 -5.477) 8.192 15.391 ( -3.245 -0.717 10.461) 10.976 15.639 ( -3.602 1.800 -3.868) 5.583 15.797 ( -6.269 -0.943 3.521) 7.251 16.081 ( 4.438 5.605 -1.944) 7.409 16.467 ( -1.301 -6.908 0.980) 7.097 16.723 ( -2.660 -9.721 0.565) 10.095 17.008 ( 1.163 -7.616 -0.709) 7.737 17.283 ( -1.392 -1.634 -3.113) 3.781 17.435 ( 20.616 -4.398 4.230) 21.500 17.549 ( -9.046 -3.973 1.248) 9.958 18.496 ( 17.817 0.835 1.768) 17.924 19.217 ( 15.237 13.385 -19.557) 28.174 19.791 ( 2.658 2.362 8.171) 8.911 21.312 ( -0.601 -6.846 -0.540) 6.894 21.783 ( 2.555 -5.725 -0.359) 6.279 22.083 ( 1.707 -5.598 -0.930) 5.926 22.094 ( 1.255 1.857 -0.846) 2.396 22.927 ( -11.596 1.928 4.985) 12.769 23.485 ( -12.951 0.317 -0.755) 12.976 ======================= Grid point 119 (45/172) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 22.767 -7.970 2.205) 24.222 2.940 ( 15.028 -16.318 18.513) 28.894 3.406 ( 8.465 8.834 -4.131) 12.913 3.969 ( -5.207 4.725 -16.263) 17.717 4.243 ( 3.989 16.164 0.337) 16.652 4.792 ( 26.022 -15.009 17.757) 34.896 5.454 ( 9.046 -1.049 -7.435) 11.756 5.901 ( 5.979 3.183 -8.836) 11.134 6.149 ( -6.023 7.974 -4.001) 10.765 6.818 ( -11.886 9.564 3.883) 15.743 6.998 ( -14.766 -0.834 2.512) 15.002 7.697 ( -4.484 2.663 1.657) 5.472 7.932 ( 7.890 1.090 -0.402) 7.975 7.965 ( 0.664 -1.685 0.822) 1.988 8.229 ( 10.011 -4.036 0.026) 10.794 8.370 ( -12.318 -2.903 5.692) 13.877 8.899 ( 0.622 2.145 2.694) 3.499 9.035 ( 3.303 -0.855 -9.042) 9.664 9.113 ( -2.205 -3.530 -6.064) 7.356 9.543 ( -2.311 -1.082 -0.632) 2.629 10.672 ( 13.321 -1.207 -3.651) 13.865 10.767 ( 3.667 -3.368 -4.023) 6.401 11.074 ( 0.605 8.274 5.445) 9.923 11.404 ( 2.451 1.000 5.603) 6.197 11.434 ( 13.207 -2.589 -4.673) 14.247 11.541 ( 6.654 7.616 -7.168) 12.396 11.916 ( -6.620 -0.110 6.054) 8.972 12.042 ( -6.451 2.472 -1.692) 7.113 12.165 ( -2.519 3.300 3.445) 5.395 12.375 ( 11.474 0.824 -5.532) 12.765 12.545 ( -0.903 1.725 7.020) 7.285 12.892 ( 12.310 -0.566 -3.189) 12.729 13.100 ( -9.285 5.471 6.446) 12.558 13.262 ( -4.302 1.341 1.402) 4.719 13.540 ( -3.436 2.460 -2.971) 5.166 13.789 ( 2.578 -4.553 2.326) 5.726 14.231 ( -9.821 -1.824 -1.826) 10.154 14.794 ( 2.226 7.387 -1.148) 7.800 15.014 ( -7.299 6.548 -5.898) 11.443 15.105 ( -2.483 -0.196 -5.101) 5.677 15.219 ( -6.145 0.858 4.223) 7.505 15.427 ( -2.000 -0.678 0.867) 2.283 15.586 ( 1.765 0.193 6.123) 6.375 15.776 ( -2.625 -1.447 5.503) 6.266 16.081 ( 3.194 -1.085 -1.192) 3.577 16.554 ( -3.037 -5.620 1.005) 6.467 16.844 ( -4.690 -7.755 1.595) 9.202 17.153 ( 2.965 -6.297 -1.792) 7.187 17.283 ( -1.924 -1.653 -2.537) 3.587 17.506 ( -6.156 -1.856 -2.170) 6.786 17.762 ( 17.348 -5.512 3.324) 18.504 18.544 ( 6.091 10.829 2.550) 12.683 19.214 ( 15.994 3.394 -12.016) 20.291 19.744 ( -1.996 4.738 8.109) 9.602 21.423 ( 0.118 -5.877 -2.232) 6.287 21.891 ( 0.740 -3.909 0.054) 3.979 22.090 ( 2.752 1.186 -2.385) 3.830 22.169 ( -0.589 -3.415 -3.659) 5.039 22.810 ( -7.196 0.324 9.535) 11.950 23.362 ( -9.704 -2.550 -4.240) 10.893 ======================= Grid point 120 (46/172) ======================= q-point: ( 0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 8.914 15.953 3.391) 18.587 3.068 ( -10.428 5.211 4.325) 12.434 3.517 ( 16.848 4.068 1.140) 17.370 3.921 ( 6.826 4.522 -0.863) 8.233 4.052 ( 8.732 -1.998 -2.782) 9.380 5.241 ( 11.129 -7.731 12.988) 18.770 5.649 ( 9.166 -4.853 -7.398) 12.740 5.845 ( -2.454 3.935 -1.837) 4.988 6.054 ( 3.656 0.132 -11.493) 12.061 6.538 ( -9.365 6.396 0.987) 11.384 6.840 ( -15.020 -0.403 2.317) 15.203 7.565 ( -6.286 3.667 -0.098) 7.278 7.934 ( 0.065 3.713 -1.907) 4.175 8.027 ( 2.825 -1.956 9.479) 10.083 8.207 ( -17.099 -2.008 4.160) 17.712 8.483 ( 12.981 -4.150 1.955) 13.768 8.875 ( 3.275 4.214 -0.821) 5.400 9.055 ( 2.900 0.153 -6.504) 7.122 9.178 ( -0.727 -6.310 -8.639) 10.723 9.514 ( -3.391 0.042 -0.875) 3.503 10.724 ( -1.263 6.281 -0.732) 6.448 10.895 ( 9.553 -5.355 -2.374) 11.206 10.964 ( 4.723 8.268 7.161) 11.914 11.375 ( 2.955 6.281 -1.080) 7.025 11.496 ( -0.595 -2.470 -8.657) 9.022 11.630 ( 11.295 1.793 0.484) 11.447 11.817 ( -6.338 3.392 -1.998) 7.461 11.896 ( 2.408 3.298 3.337) 5.274 12.107 ( -12.728 -3.058 3.379) 13.519 12.439 ( 4.961 4.294 -1.323) 6.694 12.605 ( 4.355 -7.040 3.996) 9.192 12.962 ( -2.733 3.215 6.626) 7.856 13.007 ( 7.571 1.989 -1.405) 7.953 13.215 ( -0.552 0.853 1.039) 1.453 13.436 ( -5.454 1.820 -1.560) 5.958 13.842 ( -7.123 -3.087 5.597) 9.570 14.242 ( 3.039 -4.099 -3.672) 6.286 14.685 ( -3.539 4.475 -4.641) 7.355 14.890 ( 3.798 1.881 -4.622) 6.271 15.035 ( -6.263 1.099 -0.905) 6.423 15.176 ( -0.870 -0.015 -2.959) 3.084 15.384 ( -2.565 0.562 0.161) 2.631 15.672 ( 5.882 -1.350 5.641) 8.261 15.785 ( -0.368 -0.195 7.338) 7.350 16.185 ( 4.058 -5.238 4.203) 7.846 16.597 ( -3.635 -3.571 0.612) 5.132 16.863 ( -8.298 -2.656 0.240) 8.716 17.254 ( 1.811 -0.358 -1.531) 2.398 17.311 ( -0.362 -4.802 -2.778) 5.559 17.482 ( -2.234 -2.221 -4.941) 5.860 17.984 ( 7.200 0.048 3.738) 8.113 18.358 ( -0.025 10.148 1.404) 10.245 19.345 ( 11.011 1.802 -3.544) 11.707 19.639 ( -1.137 4.227 4.178) 6.052 21.496 ( 0.631 -2.308 -4.293) 4.915 21.930 ( -0.431 -0.823 0.838) 1.251 22.072 ( -1.379 2.393 -3.177) 4.210 22.206 ( -0.408 -3.298 -4.753) 5.799 22.760 ( -2.398 1.402 10.732) 11.086 23.368 ( -4.206 -8.219 -4.183) 10.136 ======================= Grid point 121 (47/172) ======================= q-point: (-0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -17.953 15.865 5.151) 24.506 2.865 ( 14.149 17.555 -3.581) 22.830 3.278 ( 7.879 29.201 -6.096) 30.854 4.086 ( 6.009 -7.527 9.431) 13.480 4.340 ( 10.562 -5.536 -1.431) 12.010 5.301 ( -6.776 5.848 11.338) 14.445 5.665 ( -3.849 4.118 2.205) 6.053 5.762 ( -7.128 -2.001 -0.242) 7.408 6.130 ( 3.138 -3.526 -5.669) 7.377 6.523 ( 8.091 -7.500 -9.476) 14.543 6.718 ( -7.825 -2.646 -0.651) 8.286 7.474 ( -6.430 -2.956 -3.286) 7.803 7.797 ( -9.091 5.359 -0.312) 10.558 8.062 ( -16.100 -2.856 5.367) 17.210 8.128 ( 5.669 -2.193 11.799) 13.273 8.639 ( 6.062 2.976 -0.839) 6.805 8.850 ( 10.655 4.029 -2.546) 11.672 9.087 ( 2.440 -0.963 -6.041) 6.586 9.261 ( 1.111 -3.581 -7.266) 8.177 9.470 ( -3.617 -0.183 -2.334) 4.309 10.554 ( -3.202 8.200 0.251) 8.806 10.842 ( -0.722 8.943 4.245) 9.926 11.088 ( 8.452 -1.415 -1.073) 8.636 11.284 ( 2.560 5.538 -0.439) 6.117 11.506 ( -6.838 -1.876 -5.000) 8.676 11.644 ( 4.575 0.282 2.712) 5.326 11.727 ( -4.056 0.732 -6.203) 7.448 11.975 ( -3.013 0.407 0.913) 3.175 12.020 ( 0.156 -4.218 3.263) 5.336 12.398 ( 0.422 2.893 4.220) 5.133 12.760 ( -1.477 -2.676 3.687) 4.789 12.890 ( -3.660 5.331 6.103) 8.891 13.064 ( 12.289 -2.984 0.198) 12.647 13.210 ( 0.720 -0.023 -0.662) 0.978 13.400 ( -1.047 -2.447 -4.063) 4.857 13.803 ( -8.881 -3.355 7.745) 12.252 14.366 ( 2.654 -5.070 -2.703) 6.328 14.599 ( -2.736 -1.435 -5.125) 5.984 14.964 ( -2.509 -0.142 0.385) 2.542 14.979 ( 12.404 0.602 -2.163) 12.606 15.169 ( -0.045 -0.534 -6.843) 6.864 15.374 ( -0.109 -1.215 2.133) 2.457 15.748 ( 3.127 -0.430 -0.717) 3.237 15.801 ( -0.136 -0.599 8.508) 8.530 16.338 ( 4.982 -3.620 11.774) 13.288 16.600 ( -2.852 -1.007 0.024) 3.024 16.767 ( -9.217 0.461 -3.966) 10.045 17.239 ( 0.729 2.430 -2.775) 3.760 17.367 ( -0.912 -1.688 -0.944) 2.138 17.527 ( 3.066 -3.138 -7.078) 8.327 17.847 ( -9.243 10.920 5.323) 15.265 18.310 ( 3.317 1.587 -1.138) 3.849 19.310 ( -7.249 2.971 8.200) 11.341 19.649 ( 10.191 2.633 -5.154) 11.720 21.501 ( 1.369 2.035 -5.254) 5.798 21.932 ( 0.120 0.279 1.047) 1.090 21.968 ( -5.199 4.410 -0.080) 6.818 22.235 ( -0.377 -0.592 -4.898) 4.948 22.759 ( 1.002 -1.344 7.571) 7.754 23.512 ( 0.671 -10.334 -3.020) 10.787 ======================= Grid point 122 (48/172) ======================= q-point: (-0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -17.625 18.193 9.684) 27.118 2.649 ( 15.800 33.375 -3.948) 37.136 2.963 ( 16.581 13.553 -13.508) 25.320 4.090 ( -9.326 17.576 5.853) 20.740 4.299 ( -5.857 5.196 6.230) 10.005 5.022 ( -18.508 7.812 9.054) 22.036 5.599 ( -4.125 -3.255 9.164) 10.563 5.839 ( 1.923 -10.505 -7.470) 13.033 6.179 ( -6.787 -5.676 8.756) 12.448 6.778 ( 9.167 -6.971 -13.330) 17.616 6.840 ( 11.200 -10.765 -4.297) 16.118 7.517 ( -6.950 -9.682 -7.449) 14.055 7.592 ( -8.243 3.539 0.750) 9.002 7.941 ( -15.434 -2.918 4.194) 16.258 8.268 ( 5.564 -3.650 13.724) 15.252 8.541 ( 3.887 10.438 -4.552) 12.032 8.936 ( 8.025 2.479 -0.195) 8.402 9.107 ( 2.920 1.191 -7.094) 7.763 9.275 ( 1.538 2.479 -3.784) 4.778 9.453 ( -0.981 -2.170 -5.847) 6.314 10.397 ( -3.065 5.398 0.923) 6.275 10.684 ( -2.020 6.935 1.599) 7.398 11.012 ( -1.192 9.611 -2.507) 10.004 11.353 ( 2.646 -5.024 3.475) 6.657 11.382 ( -13.380 2.528 -4.015) 14.197 11.656 ( -0.389 2.353 -4.681) 5.254 11.716 ( 3.949 1.293 5.050) 6.539 11.930 ( -2.179 -4.768 -4.253) 6.750 12.143 ( 2.503 -2.960 0.564) 3.918 12.379 ( -1.659 -0.176 8.117) 8.287 12.632 ( -4.097 8.067 6.832) 11.337 12.797 ( -8.907 -0.027 5.210) 10.319 13.250 ( 2.765 -3.390 -2.025) 4.820 13.364 ( 14.729 -9.105 -3.177) 17.604 13.468 ( 6.080 -3.709 -5.034) 8.722 13.792 ( -8.910 -5.069 10.015) 14.331 14.452 ( -1.032 -5.269 -2.997) 6.148 14.651 ( -3.248 -6.875 4.239) 8.705 14.999 ( 6.255 -0.877 -3.907) 7.426 15.077 ( 8.934 2.449 -4.391) 10.252 15.204 ( 5.265 -2.308 -4.408) 7.244 15.428 ( 1.976 -2.829 3.244) 4.737 15.750 ( -1.770 0.636 -2.093) 2.813 15.824 ( -2.343 -1.730 7.224) 7.789 16.410 ( -1.129 1.539 13.234) 13.371 16.554 ( -2.078 2.610 -0.844) 3.441 16.698 ( -0.925 -1.326 -4.533) 4.813 17.181 ( 1.142 4.874 -3.429) 6.068 17.350 ( -1.419 1.732 -1.178) 2.530 17.544 ( -10.147 9.979 4.774) 15.011 17.614 ( 5.926 -1.599 -7.621) 9.785 18.256 ( -2.587 5.182 -4.233) 7.173 19.184 ( -15.438 -2.095 12.374) 19.895 19.688 ( 9.117 5.184 -6.710) 12.451 21.456 ( 3.127 4.575 -3.386) 6.494 21.808 ( -5.894 6.512 2.367) 9.097 21.931 ( 0.830 0.742 1.012) 1.504 22.201 ( -0.156 2.953 -3.454) 4.547 22.858 ( 2.694 -5.850 4.529) 7.873 23.704 ( 3.078 -9.234 -3.794) 10.447 ======================= Grid point 123 (49/172) ======================= q-point: (-0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -10.121 20.478 16.060) 27.923 2.168 ( 20.602 41.824 1.320) 46.642 2.961 ( 7.855 12.886 -11.575) 19.019 3.432 ( -10.474 29.102 7.878) 31.917 4.071 ( -14.381 11.319 -4.462) 18.838 4.786 ( -14.158 -3.919 7.711) 16.591 5.634 ( -3.344 -2.463 4.268) 5.955 5.998 ( -7.591 -8.971 8.386) 14.437 6.342 ( 1.603 -16.540 0.771) 16.636 6.998 ( 8.878 -7.529 -8.334) 14.316 7.146 ( 9.242 -9.825 -2.850) 13.786 7.428 ( -5.725 1.226 0.657) 5.892 7.664 ( -3.807 -7.776 -4.390) 9.708 7.839 ( -12.246 -5.034 -2.137) 13.412 8.379 ( -0.003 1.287 8.051) 8.153 8.431 ( 8.264 5.895 0.822) 10.184 8.888 ( -0.617 6.303 0.024) 6.333 9.102 ( 3.226 1.760 -7.542) 8.390 9.242 ( 1.390 2.214 -4.007) 4.784 9.482 ( 3.063 -0.146 -6.555) 7.237 10.303 ( -2.202 2.055 0.912) 3.148 10.568 ( -1.245 5.143 2.220) 5.738 10.846 ( 1.584 7.320 -3.304) 8.186 11.114 ( -15.377 6.121 -4.849) 17.247 11.421 ( -6.526 -3.194 1.726) 7.468 11.602 ( 1.619 3.010 -0.671) 3.483 11.745 ( 7.076 3.305 2.072) 8.080 12.035 ( 5.528 -2.924 -5.952) 8.633 12.153 ( -8.511 -2.981 7.738) 11.883 12.366 ( -1.069 0.697 2.318) 2.646 12.567 ( -0.760 -1.879 12.606) 12.768 12.690 ( -9.671 -0.547 2.101) 9.912 13.346 ( 2.696 -2.539 -2.793) 4.638 13.553 ( 2.523 -7.174 -8.589) 11.472 13.699 ( 7.685 -2.915 1.564) 8.367 13.843 ( -2.454 -11.635 6.318) 13.465 14.540 ( 1.121 -4.983 0.817) 5.172 14.722 ( -9.001 -7.832 6.321) 13.503 15.079 ( 13.932 3.433 -3.556) 14.783 15.147 ( 2.963 -2.586 -3.675) 5.383 15.329 ( 10.066 -1.814 -3.522) 10.818 15.516 ( 0.525 -4.685 4.203) 6.316 15.692 ( -5.639 -0.082 -1.458) 5.825 15.827 ( -4.752 -2.440 5.698) 7.810 16.330 ( -4.576 3.639 4.823) 7.579 16.481 ( -1.544 3.908 0.705) 4.261 16.720 ( 4.755 3.146 1.711) 5.952 17.091 ( 1.550 6.168 -3.550) 7.283 17.263 ( -6.056 3.882 -2.190) 7.520 17.320 ( -3.860 5.782 4.004) 8.022 17.705 ( 12.938 1.708 -9.976) 16.427 18.077 ( -5.750 7.618 -7.238) 11.978 19.047 ( -23.785 -4.606 13.459) 27.714 19.659 ( 6.188 6.513 -5.809) 10.698 21.419 ( 4.980 4.797 0.806) 6.961 21.631 ( -3.897 7.073 3.407) 8.765 21.930 ( 1.111 0.685 1.634) 2.092 22.132 ( 0.767 4.467 -2.157) 5.020 23.016 ( 2.429 -7.546 3.486) 8.659 23.876 ( 3.380 -6.821 -6.353) 9.915 ======================= Grid point 124 (50/172) ======================= q-point: (-0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 1.780 21.687 18.798) 28.756 1.741 ( 30.771 40.466 11.939) 52.220 2.307 ( -14.670 40.401 29.804) 52.304 3.313 ( 14.018 1.019 -20.313) 24.701 3.654 ( -12.771 12.940 -12.832) 22.253 4.823 ( -5.499 -9.856 0.190) 11.288 5.612 ( -2.506 1.202 5.404) 6.077 6.080 ( -11.178 -12.078 12.877) 20.896 6.668 ( 0.934 -16.955 -3.461) 17.330 7.195 ( 2.833 -8.024 -1.544) 8.648 7.325 ( -3.102 -5.401 2.203) 6.607 7.409 ( 2.779 0.230 1.450) 3.143 7.648 ( -3.265 1.401 1.405) 3.821 7.845 ( -3.006 -4.045 -10.308) 11.474 8.285 ( -5.579 5.853 3.901) 8.978 8.442 ( 5.928 4.598 2.486) 7.904 8.814 ( -0.556 -0.496 0.561) 0.932 9.095 ( 1.665 0.868 -7.924) 8.144 9.210 ( 0.468 1.528 -5.586) 5.810 9.492 ( 3.635 2.402 -6.327) 7.682 10.273 ( 0.976 1.151 -0.674) 1.653 10.472 ( -2.267 3.357 3.158) 5.136 10.779 ( 6.739 9.230 -1.191) 11.491 10.908 ( -2.372 -0.789 -7.473) 7.880 11.347 ( -7.838 0.222 -0.085) 7.841 11.572 ( -0.227 2.249 1.042) 2.489 11.757 ( 6.253 4.631 -0.467) 7.795 12.041 ( -3.192 0.950 4.605) 5.683 12.200 ( 0.917 -4.415 3.863) 5.938 12.361 ( -0.349 -0.265 2.901) 2.934 12.602 ( -3.393 -2.500 0.298) 4.225 12.663 ( -9.514 -7.458 13.064) 17.799 13.335 ( -3.756 3.219 -5.788) 7.614 13.695 ( 1.479 -6.678 -5.211) 8.599 13.747 ( -3.366 -4.126 3.172) 6.198 14.022 ( -4.133 -5.428 -1.758) 7.045 14.666 ( 1.996 -7.320 3.196) 8.233 14.794 ( 0.357 -7.967 5.447) 9.658 15.150 ( -2.106 2.688 0.069) 3.415 15.185 ( 10.256 2.120 1.859) 10.636 15.472 ( 7.881 -2.961 -2.336) 8.737 15.619 ( -4.855 -9.170 1.312) 10.458 15.663 ( -0.609 -1.782 0.017) 1.884 15.846 ( -4.283 -5.523 3.556) 7.842 16.220 ( -4.065 4.029 1.604) 5.944 16.374 ( -0.258 7.223 0.794) 7.271 16.668 ( 4.174 8.965 4.703) 10.950 16.995 ( 1.186 6.587 -1.865) 6.948 17.113 ( -7.673 2.466 -3.693) 8.866 17.240 ( 0.681 2.355 1.486) 2.866 17.835 ( 19.864 3.137 -12.329) 23.588 17.873 ( -2.163 7.494 -10.471) 13.057 18.825 ( -25.973 -0.990 13.482) 29.280 19.607 ( 4.933 5.254 -3.351) 7.948 21.363 ( -0.010 6.407 2.360) 6.828 21.546 ( 4.117 2.332 4.984) 6.872 21.945 ( 1.547 -0.069 3.223) 3.576 22.070 ( 1.461 2.955 -0.542) 3.341 23.169 ( 0.559 -6.739 4.199) 7.960 23.986 ( 0.735 -4.098 -9.557) 10.425 ======================= Grid point 127 (51/172) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 21.870 0.000 29.993) 37.120 1.992 ( 37.362 0.000 4.692) 37.655 3.623 ( 51.147 0.000 18.196) 54.287 3.665 ( 19.013 0.000 -27.658) 33.563 3.930 ( 21.549 0.000 -9.551) 23.571 4.689 ( -10.728 -0.000 -0.722) 10.752 5.638 ( 3.008 0.000 -4.034) 5.032 6.344 ( 2.061 0.000 8.178) 8.434 6.794 ( -19.128 -0.000 -2.504) 19.291 7.031 ( -14.600 -0.000 -4.348) 15.234 7.118 ( -3.426 -0.000 1.124) 3.606 7.374 ( -12.811 -0.000 7.394) 14.792 7.926 ( 8.169 0.000 8.280) 11.632 7.996 ( 16.845 0.000 -14.564) 22.269 8.195 ( 0.562 0.000 -7.529) 7.550 8.208 ( -6.176 -0.000 6.800) 9.186 8.948 ( -0.315 -0.000 -0.071) 0.323 8.990 ( -4.712 -0.000 -8.420) 9.648 9.232 ( 1.943 0.000 -1.895) 2.714 9.332 ( -0.141 -0.000 -3.247) 3.250 10.565 ( 7.427 0.000 -14.118) 15.952 10.625 ( 9.956 0.000 -8.160) 12.873 11.009 ( 18.011 0.000 0.412) 18.015 11.332 ( 5.670 0.000 7.495) 9.398 11.576 ( 4.152 0.000 9.676) 10.530 11.645 ( 4.868 0.000 3.373) 5.922 11.845 ( -8.260 -0.000 -4.603) 9.455 11.955 ( 11.113 0.000 2.704) 11.437 12.303 ( 13.046 0.000 -5.004) 13.973 12.338 ( -3.286 -0.000 5.195) 6.147 12.749 ( 2.991 0.000 -0.805) 3.097 13.074 ( 11.284 0.000 -11.535) 16.136 13.161 ( 4.682 0.000 4.781) 6.692 13.439 ( -11.319 -0.000 6.141) 12.877 13.614 ( -9.638 -0.000 2.671) 10.001 13.686 ( -8.272 -0.000 -3.245) 8.886 14.443 ( -16.784 -0.000 1.601) 16.860 14.915 ( -3.003 -0.000 3.554) 4.653 15.080 ( -6.755 -0.000 8.623) 10.953 15.095 ( 0.256 0.000 -7.746) 7.750 15.526 ( -3.578 -0.000 0.780) 3.662 15.536 ( -2.097 -0.000 -4.707) 5.153 15.668 ( -6.205 -0.000 -1.867) 6.480 15.729 ( -6.937 -0.000 0.473) 6.953 16.289 ( 4.289 0.000 1.018) 4.408 16.410 ( -8.993 -0.000 -2.670) 9.380 16.412 ( 6.173 0.000 -2.611) 6.703 16.797 ( -0.476 -0.000 5.814) 5.833 17.222 ( 7.272 0.000 -6.823) 9.972 17.405 ( 13.204 0.000 5.081) 14.148 17.408 ( -10.947 -0.000 8.137) 13.639 18.498 ( 25.296 0.000 -2.010) 25.375 19.621 ( 17.990 0.000 -33.207) 37.767 19.843 ( 7.042 0.000 10.999) 13.060 21.163 ( -1.387 -0.000 0.347) 1.430 21.616 ( 0.466 0.000 -0.170) 0.496 21.951 ( 1.359 0.000 0.888) 1.624 22.126 ( -1.741 -0.000 -3.701) 4.090 22.967 ( -14.924 -0.000 1.608) 15.010 23.491 ( -14.380 -0.000 9.557) 17.266 ======================= Grid point 128 (52/172) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 23.742 -9.012 21.032) 32.974 2.485 ( 34.332 -7.462 2.613) 35.231 3.727 ( 7.340 5.722 -18.251) 20.487 4.074 ( 19.725 1.324 -13.697) 24.051 4.353 ( 38.068 -7.044 18.290) 42.817 4.598 ( 4.480 2.738 0.478) 5.272 5.633 ( 0.862 3.733 -6.159) 7.254 6.198 ( 7.112 16.312 1.089) 17.828 6.481 ( -17.141 8.729 -1.652) 19.306 6.891 ( -18.624 -4.920 -1.395) 19.314 7.093 ( -9.941 3.533 4.553) 11.490 7.376 ( -5.045 -14.352 4.215) 15.786 7.985 ( 1.280 2.812 10.024) 10.490 8.059 ( 1.009 1.956 -6.354) 6.724 8.145 ( 11.744 1.103 -5.044) 12.829 8.281 ( -2.946 -3.731 -0.216) 4.758 8.921 ( -2.036 -0.861 -5.406) 5.841 8.952 ( -1.545 -0.240 -1.121) 1.924 9.187 ( 1.716 4.691 -2.488) 5.581 9.409 ( -0.581 -6.053 -1.101) 6.180 10.650 ( 12.003 0.098 -12.901) 17.622 10.695 ( 4.601 -0.369 -9.210) 10.302 11.218 ( 15.762 0.450 1.372) 15.828 11.418 ( 7.198 -0.328 7.691) 10.539 11.558 ( 5.434 7.374 6.518) 11.242 11.691 ( -0.633 0.138 2.018) 2.120 11.821 ( -2.968 -5.206 -0.221) 5.997 12.049 ( 7.685 3.980 2.940) 9.140 12.300 ( -5.398 -0.384 5.880) 7.991 12.442 ( 13.895 1.445 -9.164) 16.707 12.765 ( 4.292 2.535 -0.003) 4.985 12.984 ( 3.732 11.243 -1.814) 11.984 13.255 ( -4.037 -1.085 2.508) 4.875 13.323 ( -3.933 3.250 2.223) 5.565 13.567 ( -4.682 -2.365 1.432) 5.438 13.613 ( -1.575 -2.320 -3.855) 4.767 14.241 ( -13.217 1.947 0.185) 13.361 14.856 ( -15.493 -4.702 5.214) 17.009 15.052 ( -3.558 -1.945 7.168) 8.235 15.132 ( 4.126 0.381 -10.041) 10.863 15.405 ( -4.875 7.167 0.533) 8.684 15.451 ( 0.021 5.251 -0.721) 5.301 15.588 ( -4.944 -0.742 -5.392) 7.353 15.706 ( -4.607 -3.361 3.864) 6.888 16.223 ( -3.400 6.848 -2.636) 8.087 16.347 ( 0.638 -3.211 0.842) 3.380 16.551 ( -0.715 -7.366 0.471) 7.416 16.876 ( 0.157 -7.173 3.183) 7.849 17.224 ( -3.559 -1.186 -3.656) 5.238 17.352 ( -9.980 -5.238 5.432) 12.512 17.654 ( 23.700 -1.077 1.613) 23.779 18.784 ( 25.382 1.711 0.022) 25.440 19.587 ( 10.364 14.539 -24.006) 29.918 19.913 ( 5.259 3.440 12.244) 13.763 21.195 ( -1.070 -5.176 0.114) 5.286 21.691 ( 0.929 -6.814 -1.017) 6.952 22.005 ( 1.101 -3.936 -0.222) 4.093 22.109 ( -0.304 -0.661 -3.529) 3.604 22.783 ( -15.843 0.003 0.995) 15.874 23.344 ( -12.959 0.419 5.947) 14.265 ======================= Grid point 129 (53/172) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 21.060 -11.439 14.302) 27.909 2.995 ( 24.517 -8.722 -2.785) 26.171 3.597 ( -2.453 6.575 -2.270) 7.375 4.137 ( 17.677 9.777 -10.861) 22.935 4.590 ( 11.067 11.875 -1.363) 16.290 4.921 ( 25.572 -7.611 16.486) 31.363 5.565 ( 7.792 3.269 -9.132) 12.442 6.053 ( 2.729 9.635 -1.884) 10.190 6.175 ( -8.021 6.333 -5.137) 11.439 6.746 ( -19.676 -3.498 0.209) 19.985 6.864 ( -10.403 7.687 2.564) 13.186 7.533 ( -9.441 -8.227 4.634) 13.353 7.979 ( 1.932 0.374 7.909) 8.150 8.050 ( 0.139 -0.762 -4.960) 5.020 8.164 ( -8.243 0.632 1.763) 8.453 8.360 ( 14.265 -0.652 -1.539) 14.363 8.940 ( 0.608 0.824 0.553) 1.164 8.947 ( -0.993 -4.650 -6.804) 8.301 9.132 ( 1.618 2.967 -2.800) 4.389 9.470 ( -3.303 -3.169 -0.384) 4.593 10.728 ( 0.443 -1.774 -8.359) 8.557 10.795 ( 13.592 -1.591 -8.382) 16.048 11.290 ( 8.115 7.643 7.408) 13.384 11.480 ( 5.386 3.130 4.031) 7.420 11.574 ( 7.392 2.549 -1.956) 8.060 11.710 ( 8.182 -0.137 1.460) 8.312 11.839 ( -7.788 -1.796 5.927) 9.950 12.025 ( 5.739 6.118 -3.372) 9.040 12.228 ( -6.742 3.041 6.639) 9.938 12.507 ( 7.389 2.808 -4.475) 9.083 12.670 ( 2.038 10.619 -0.303) 10.817 12.979 ( 7.725 -3.165 -2.599) 8.743 13.145 ( -3.270 6.881 4.166) 8.683 13.238 ( -3.504 0.900 0.590) 3.666 13.538 ( -2.793 1.893 -1.755) 3.804 13.682 ( -3.374 -4.876 2.183) 6.319 14.133 ( -2.877 -1.727 -3.035) 4.525 14.743 ( -18.439 -3.626 4.152) 19.245 14.989 ( -2.459 4.504 0.456) 5.152 15.134 ( -1.978 1.705 0.177) 2.617 15.224 ( -3.664 4.545 -4.853) 7.592 15.413 ( 0.027 0.582 -2.623) 2.687 15.615 ( 6.072 -2.610 1.129) 6.705 15.731 ( -0.894 -2.524 2.765) 3.849 16.108 ( -1.236 2.559 -0.013) 2.842 16.407 ( -3.612 -5.195 1.783) 6.574 16.656 ( -4.511 -7.470 2.406) 9.052 17.025 ( -0.129 -9.041 0.717) 9.070 17.210 ( -3.518 -2.665 -2.764) 5.207 17.348 ( -8.476 -5.540 1.399) 10.222 17.943 ( 21.743 -1.019 -0.246) 21.768 18.922 ( 16.618 15.169 0.198) 22.501 19.433 ( 9.997 7.018 -13.049) 17.874 19.865 ( 0.332 7.801 11.791) 14.142 21.305 ( 0.194 -7.517 -0.406) 7.530 21.818 ( 1.007 -5.686 -1.239) 5.906 22.076 ( -0.065 -3.425 -2.102) 4.019 22.135 ( 1.118 -1.046 -5.876) 6.072 22.662 ( -11.491 -5.442 4.611) 13.525 23.202 ( -11.933 -0.338 1.424) 12.022 ======================= Grid point 130 (54/172) ======================= q-point: ( 0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -13.553 7.292 3.964) 15.892 3.289 ( 21.268 -1.395 -1.855) 21.394 3.737 ( 23.719 -5.249 10.453) 26.447 4.184 ( 22.404 8.163 -7.882) 25.113 4.344 ( 4.545 22.604 1.112) 23.084 5.266 ( 9.525 -4.945 10.097) 14.735 5.689 ( 11.468 -2.364 -9.390) 15.009 5.856 ( -10.090 5.589 2.133) 11.730 6.082 ( 0.834 1.638 -7.991) 8.200 6.565 ( -6.862 5.282 -2.937) 9.144 6.643 ( -14.592 -0.116 -1.498) 14.669 7.466 ( -13.205 -0.279 3.438) 13.648 7.937 ( -12.811 -1.403 11.170) 17.055 8.021 ( -5.392 5.827 -0.237) 7.942 8.128 ( 7.432 -1.434 -0.080) 7.570 8.566 ( 14.058 -3.135 -0.606) 14.416 8.945 ( 2.356 0.364 1.904) 3.051 9.028 ( -0.638 -7.274 -9.701) 12.142 9.109 ( 2.651 2.254 -4.503) 5.691 9.448 ( -5.952 -1.119 0.143) 6.058 10.726 ( -2.591 -0.268 -4.824) 5.483 10.974 ( 11.753 -2.101 -0.937) 11.976 11.242 ( 10.373 10.030 6.738) 15.925 11.468 ( 0.371 3.915 -0.067) 3.933 11.529 ( 0.722 4.981 -3.661) 6.224 11.740 ( -4.054 1.330 4.511) 6.209 11.815 ( -0.746 3.297 -4.853) 5.914 12.021 ( 11.430 3.906 -2.092) 12.259 12.058 ( -2.509 6.569 8.863) 11.314 12.513 ( -3.455 1.310 5.656) 6.756 12.610 ( 9.284 1.169 -8.110) 12.383 13.031 ( 1.653 4.133 5.073) 6.749 13.111 ( 6.552 -0.764 -2.809) 7.170 13.231 ( 1.848 -0.511 0.050) 1.918 13.410 ( -6.931 5.226 -2.620) 9.067 13.670 ( -11.176 -3.988 5.858) 13.233 14.194 ( 1.528 -4.245 -1.946) 4.914 14.577 ( -17.991 -1.802 1.793) 18.170 14.945 ( 0.127 0.891 0.680) 1.128 15.015 ( 0.511 3.317 3.634) 4.947 15.205 ( 3.762 0.035 -12.698) 13.243 15.386 ( -0.478 1.043 -2.769) 2.997 15.735 ( 5.207 -0.187 2.294) 5.693 15.787 ( 2.389 -1.749 4.498) 5.385 16.137 ( 3.018 -5.221 5.450) 8.128 16.450 ( -5.894 -5.638 1.938) 8.384 16.698 ( -8.395 -5.172 1.814) 10.026 17.175 ( -1.158 -8.586 -1.230) 8.751 17.226 ( -1.806 -2.871 -1.224) 3.606 17.359 ( -5.434 -5.434 -1.948) 7.928 18.153 ( 15.542 2.827 -1.758) 15.894 18.662 ( 3.663 21.890 -1.953) 22.280 19.506 ( 8.946 4.037 1.114) 9.878 19.733 ( 0.390 5.252 4.805) 7.129 21.437 ( 1.710 -5.878 -1.504) 6.303 21.895 ( -0.108 -2.775 -0.078) 2.778 22.097 ( -2.555 2.710 -5.563) 6.695 22.137 ( 1.160 -3.480 -3.828) 5.302 22.710 ( -3.627 -5.754 7.819) 10.364 23.129 ( -9.640 -7.520 -2.487) 12.477 ======================= Grid point 131 (55/172) ======================= q-point: (-0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -13.361 14.251 7.791) 21.031 3.413 ( 23.243 14.754 -3.365) 27.735 3.911 ( 12.128 27.820 -2.601) 30.460 4.122 ( 12.923 -3.336 10.256) 16.832 4.401 ( 16.490 -1.773 -2.799) 16.820 5.280 ( -11.748 4.187 5.047) 13.455 5.653 ( -10.233 3.382 6.324) 12.496 5.738 ( -2.204 3.472 -2.761) 4.954 6.075 ( -4.918 -1.988 -1.987) 5.665 6.501 ( 6.497 -3.898 -10.176) 12.687 6.597 ( 2.362 -4.409 -9.064) 10.353 7.310 ( -13.197 -0.433 0.866) 13.233 7.793 ( -15.937 0.672 5.321) 16.815 7.854 ( -6.778 4.694 5.828) 10.097 8.231 ( 8.047 0.245 5.533) 9.769 8.742 ( 8.613 -0.339 -1.428) 8.737 8.989 ( 4.866 -0.116 0.253) 4.874 9.089 ( 1.621 1.175 -4.088) 4.552 9.152 ( 1.648 -7.700 -11.073) 13.587 9.399 ( -5.875 -1.493 0.054) 6.062 10.662 ( -0.521 4.778 -1.099) 4.930 11.020 ( 0.466 9.210 7.789) 12.071 11.232 ( 10.582 5.642 3.079) 12.381 11.370 ( -7.352 -0.744 -6.192) 9.641 11.447 ( 2.698 7.457 -1.423) 8.057 11.686 ( -3.331 1.610 -4.177) 5.580 11.713 ( 2.049 1.169 -0.159) 2.364 11.879 ( -5.987 3.968 4.284) 8.363 12.208 ( 18.895 3.388 0.314) 19.199 12.437 ( -4.534 2.508 3.872) 6.468 12.698 ( 2.217 -2.142 -0.519) 3.126 13.007 ( -1.427 8.094 3.955) 9.121 13.156 ( 8.313 -0.997 -2.802) 8.829 13.220 ( -0.500 1.742 -0.646) 1.924 13.328 ( -0.072 -4.054 -2.869) 4.968 13.633 ( -9.765 -4.703 6.993) 12.898 14.267 ( -2.227 -4.771 -0.501) 5.289 14.451 ( -13.010 -4.712 4.204) 14.462 14.889 ( -4.539 -1.828 -0.335) 4.905 15.138 ( 13.184 -1.411 1.858) 13.388 15.224 ( 7.550 2.220 -15.610) 17.481 15.378 ( 1.519 0.054 0.374) 1.565 15.762 ( 0.209 0.193 -1.227) 1.260 15.814 ( -0.019 0.777 5.755) 5.808 16.325 ( 3.650 -5.962 13.608) 15.299 16.488 ( -3.091 -5.942 -0.007) 6.698 16.653 ( -8.874 -1.847 -1.612) 9.207 17.237 ( -1.554 -1.835 -3.004) 3.848 17.294 ( -0.929 -5.030 -0.367) 5.128 17.422 ( -2.189 -7.358 -2.818) 8.178 18.079 ( 2.413 18.358 -0.769) 18.532 18.433 ( 5.188 7.575 -4.235) 10.111 19.357 ( -7.693 10.224 11.963) 17.516 19.790 ( 9.986 0.197 -4.862) 11.108 21.531 ( 3.272 -1.833 -2.489) 4.501 21.923 ( -0.571 -0.991 0.761) 1.374 21.994 ( -3.118 4.208 -1.275) 5.391 22.199 ( 1.061 -2.564 -4.498) 5.285 22.740 ( -2.184 -1.382 6.113) 6.638 23.258 ( -4.012 -15.205 -3.421) 16.093 ======================= Grid point 132 (56/172) ======================= q-point: (-0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -5.429 18.029 13.103) 22.939 3.384 ( 26.852 19.613 -7.236) 34.031 3.523 ( 12.795 29.831 -4.194) 32.729 4.262 ( 4.451 2.554 8.251) 9.717 4.399 ( -5.447 14.260 2.910) 15.540 4.921 ( -25.415 10.215 4.994) 27.842 5.530 ( -5.094 -0.713 5.962) 7.875 5.715 ( 0.690 -4.505 -4.468) 6.382 6.016 ( -9.609 -3.707 5.267) 11.568 6.744 ( 12.423 -8.218 -15.750) 21.677 6.804 ( 13.656 -8.903 -5.779) 17.296 7.232 ( -10.327 -7.712 -5.513) 14.018 7.605 ( -6.397 5.184 3.797) 9.067 7.723 ( -13.267 -1.462 6.987) 15.065 8.328 ( 6.145 -0.448 10.346) 12.042 8.735 ( 3.662 7.160 -4.049) 9.004 9.040 ( 3.012 0.730 -0.533) 3.145 9.110 ( 0.547 -1.767 -3.534) 3.989 9.274 ( 2.547 -3.647 -8.177) 9.309 9.375 ( -2.275 -2.698 -2.734) 4.464 10.542 ( 1.902 9.897 1.167) 10.145 10.823 ( -2.110 9.399 4.280) 10.542 11.117 ( -7.072 8.186 -2.001) 11.001 11.320 ( -3.409 2.889 -3.961) 5.971 11.371 ( 2.866 3.572 3.867) 5.994 11.698 ( 2.116 2.811 0.122) 3.521 11.748 ( 0.368 -8.898 -2.645) 9.290 11.826 ( 4.936 1.601 0.181) 5.192 12.259 ( 1.750 6.414 -0.717) 6.687 12.380 ( 3.205 1.659 3.897) 5.312 12.674 ( -6.923 2.961 4.879) 8.972 12.797 ( -4.230 8.282 3.167) 9.824 13.221 ( 2.129 -2.703 -3.481) 4.894 13.310 ( 3.054 -6.487 -4.024) 8.222 13.499 ( 10.924 -6.720 0.378) 12.831 13.622 ( -6.414 -3.925 5.538) 9.339 14.336 ( -0.415 -5.995 0.480) 6.029 14.437 ( -12.411 -7.870 8.706) 17.081 14.936 ( 0.898 -5.869 -4.031) 7.176 15.201 ( 4.098 1.574 -10.252) 11.152 15.349 ( 16.395 1.367 -0.582) 16.462 15.415 ( 2.223 -1.340 1.257) 2.884 15.732 ( -2.608 1.315 -1.621) 3.340 15.792 ( -3.542 0.325 5.229) 6.324 16.366 ( -8.327 -1.661 9.484) 12.729 16.541 ( -3.940 -0.293 0.364) 3.968 16.677 ( 6.580 -5.002 1.093) 8.338 17.229 ( -0.636 0.828 -3.084) 3.256 17.333 ( -1.263 -1.042 -2.323) 2.842 17.529 ( -2.065 -5.379 -0.943) 5.839 17.759 ( 1.626 15.306 -0.827) 15.414 18.356 ( 2.947 7.640 -8.686) 11.937 19.105 ( -11.937 7.296 13.939) 19.749 19.853 ( 6.968 3.328 -5.507) 9.485 21.568 ( 4.698 2.227 -1.826) 5.511 21.857 ( -3.362 5.548 1.357) 6.628 21.947 ( 0.357 0.015 1.784) 1.819 22.225 ( 0.966 0.207 -3.656) 3.787 22.780 ( -1.107 -4.887 4.299) 6.602 23.491 ( -1.220 -14.565 -4.434) 15.273 ======================= Grid point 133 (57/172) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 4.185 20.835 16.380) 26.831 3.110 ( 16.839 35.308 3.344) 39.260 3.361 ( 19.804 16.532 -10.890) 28.002 3.868 ( -9.474 30.498 6.789) 32.649 4.161 ( -3.366 11.918 -3.881) 12.978 4.513 ( -23.959 -1.460 9.388) 25.774 5.566 ( -1.182 -4.792 0.455) 4.956 5.775 ( -8.476 -4.808 3.015) 10.201 6.111 ( 1.042 -12.682 1.584) 12.823 6.967 ( 6.772 -5.597 -6.987) 11.225 7.081 ( 7.848 -8.437 -2.686) 11.831 7.337 ( 1.351 -9.995 -13.022) 16.471 7.532 ( 1.596 -0.398 3.952) 4.280 7.634 ( -10.373 -3.962 3.210) 11.559 8.402 ( 0.732 -0.118 12.338) 12.361 8.633 ( 4.215 7.687 -2.758) 9.190 8.988 ( -2.276 5.574 -0.659) 6.057 9.119 ( -1.235 -0.471 -4.444) 4.637 9.284 ( 1.681 1.924 -7.523) 7.945 9.456 ( 2.442 -4.613 -4.034) 6.596 10.395 ( 1.283 7.984 2.922) 8.598 10.687 ( 0.115 7.365 2.822) 7.888 10.915 ( -2.833 4.490 -5.526) 7.663 11.165 ( -1.049 9.424 -3.422) 10.081 11.345 ( -3.540 0.507 2.242) 4.221 11.675 ( 1.179 2.319 0.984) 2.782 11.872 ( 7.564 1.915 -3.040) 8.374 11.947 ( 3.230 -9.331 2.615) 10.214 12.124 ( -6.272 3.033 0.960) 7.033 12.391 ( 4.228 3.834 0.262) 5.713 12.548 ( -7.999 1.077 10.527) 13.265 12.635 ( -4.161 5.008 1.038) 6.593 13.328 ( 3.844 -3.847 -4.979) 7.373 13.436 ( 0.822 -6.960 -5.957) 9.198 13.587 ( -9.113 -5.496 6.208) 12.320 13.787 ( 10.939 -5.523 2.835) 12.578 14.442 ( -8.445 -6.938 3.595) 11.506 14.486 ( 0.927 -8.994 4.064) 9.913 15.066 ( 2.528 -6.309 -3.894) 7.833 15.216 ( 1.792 -0.562 -6.685) 6.944 15.444 ( 5.865 2.058 -1.292) 6.348 15.488 ( 4.157 -1.217 5.560) 7.048 15.669 ( 0.305 2.598 -1.565) 3.048 15.746 ( -6.158 -0.809 4.037) 7.408 16.289 ( -8.423 -0.214 3.929) 9.297 16.508 ( -0.681 0.627 -0.390) 1.005 16.824 ( 6.946 -0.787 6.329) 9.430 17.178 ( -0.333 3.869 -3.586) 5.286 17.272 ( -3.912 4.863 -3.876) 7.347 17.431 ( -0.087 7.966 2.579) 8.373 17.759 ( 4.652 -4.723 -4.902) 8.245 18.211 ( 4.958 10.649 -12.115) 16.874 18.881 ( -13.273 4.442 14.129) 19.888 19.821 ( 3.505 5.735 -4.544) 8.113 21.561 ( 3.857 4.324 0.236) 5.799 21.725 ( -0.232 6.618 3.296) 7.397 21.953 ( 0.621 0.277 1.883) 2.002 22.205 ( 1.338 2.891 -2.444) 4.015 22.893 ( -0.796 -8.039 4.059) 9.041 23.698 ( -1.888 -11.668 -6.640) 13.557 ======================= Grid point 134 (58/172) ======================= q-point: (-0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 14.473 21.762 14.432) 29.855 2.621 ( 0.256 35.008 17.311) 39.055 3.111 ( 25.868 39.068 13.401) 48.734 3.447 ( -2.563 7.952 -12.150) 14.745 3.861 ( 7.375 16.851 -17.178) 25.168 4.501 ( -11.956 -15.100 6.541) 20.341 5.637 ( 2.515 -2.255 -2.817) 4.398 5.745 ( -13.927 -7.523 8.371) 17.906 6.392 ( 0.205 -16.937 -0.929) 16.964 7.094 ( 0.417 -6.744 -3.933) 7.818 7.241 ( 1.741 -3.433 3.417) 5.146 7.474 ( 7.312 -1.029 -1.290) 7.496 7.607 ( 1.296 -3.303 -1.701) 3.934 7.706 ( 2.878 -8.710 -8.004) 12.174 8.338 ( -6.205 5.988 7.574) 11.478 8.579 ( 2.976 4.242 3.616) 6.318 8.852 ( -0.701 5.222 -1.554) 5.493 9.095 ( -1.738 -0.063 -5.788) 6.044 9.241 ( 0.497 2.817 -7.612) 8.132 9.533 ( 2.530 -1.024 -3.223) 4.224 10.332 ( 2.995 2.709 2.999) 5.030 10.545 ( -1.220 6.692 1.764) 7.027 10.903 ( 3.839 2.006 -5.958) 7.367 11.027 ( 9.682 6.688 -5.330) 12.918 11.295 ( -2.819 -0.067 0.680) 2.900 11.618 ( -2.672 3.307 -0.062) 4.252 11.900 ( 6.493 4.052 -1.065) 7.728 12.029 ( -3.256 0.157 10.263) 10.768 12.160 ( 3.815 -6.744 -3.847) 8.651 12.357 ( 0.415 2.232 0.961) 2.466 12.479 ( -8.969 -2.439 9.578) 13.347 12.559 ( -0.525 0.769 1.191) 1.512 13.359 ( -0.868 1.026 -4.775) 4.961 13.572 ( 1.383 -7.747 -5.210) 9.439 13.608 ( -5.440 -5.302 2.281) 7.931 13.903 ( -6.423 -2.895 7.267) 10.121 14.529 ( 0.784 -9.243 -3.095) 9.779 14.677 ( 3.167 -7.938 4.282) 9.559 15.134 ( -5.837 0.210 1.124) 5.948 15.224 ( -1.017 -4.765 -3.511) 6.006 15.498 ( 4.808 -2.152 -1.086) 5.378 15.517 ( -2.041 0.620 6.782) 7.110 15.684 ( 7.519 0.648 -2.480) 7.944 15.706 ( -6.546 -2.990 3.534) 8.018 16.196 ( -8.293 0.855 1.107) 8.410 16.488 ( 2.483 3.579 0.015) 4.356 16.873 ( 5.923 5.031 8.657) 11.634 17.086 ( 0.120 4.877 -4.330) 6.523 17.116 ( -2.450 6.206 -3.621) 7.591 17.334 ( 1.769 5.793 0.379) 6.069 17.818 ( -4.976 -1.450 -6.810) 8.558 18.152 ( 16.617 7.407 -9.552) 20.548 18.715 ( -5.592 1.998 8.321) 10.223 19.744 ( 2.223 5.454 -1.809) 6.161 21.477 ( -1.402 6.721 0.880) 6.922 21.676 ( 6.766 4.319 4.583) 9.243 21.965 ( 1.302 -0.289 2.798) 3.100 22.152 ( 1.242 4.430 -1.498) 4.838 23.031 ( -2.309 -8.306 4.931) 9.932 23.815 ( -5.861 -7.853 -8.652) 13.072 ======================= Grid point 138 (59/172) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 25.910 0.000 17.560) 31.299 2.804 ( 30.432 0.000 -1.962) 30.495 3.722 ( -8.542 -0.000 -6.368) 10.655 4.341 ( 23.420 0.000 -13.614) 27.090 4.727 ( 16.085 0.000 -5.898) 17.132 4.774 ( 35.869 0.000 16.330) 39.411 5.669 ( 1.121 0.000 -7.844) 7.923 6.363 ( -16.510 -0.000 -2.183) 16.654 6.472 ( 6.621 0.000 2.218) 6.983 6.598 ( -20.174 -0.000 0.886) 20.194 7.086 ( -0.594 -0.000 1.554) 1.663 7.104 ( -12.810 -0.000 6.071) 14.176 7.984 ( -11.161 -0.000 -5.504) 12.444 8.014 ( -5.873 -0.000 14.527) 15.670 8.209 ( 7.185 0.000 -2.004) 7.459 8.367 ( 13.395 0.000 -5.938) 14.652 8.877 ( -1.382 -0.000 -7.051) 7.185 8.948 ( 0.980 0.000 0.707) 1.208 9.291 ( -3.722 -0.000 -2.651) 4.569 9.295 ( 3.116 0.000 0.445) 3.148 10.707 ( 1.176 0.000 -10.628) 10.693 10.772 ( 13.052 0.000 -13.495) 18.774 11.422 ( 15.318 0.000 3.550) 15.724 11.502 ( 7.239 0.000 5.700) 9.213 11.664 ( -3.345 -0.000 0.914) 3.468 11.735 ( 0.853 0.000 2.581) 2.718 11.737 ( 6.104 0.000 9.158) 11.006 12.201 ( -0.772 -0.000 6.610) 6.655 12.252 ( 5.056 0.000 -1.232) 5.204 12.564 ( 8.411 0.000 -8.655) 12.069 12.822 ( 4.585 0.000 -3.472) 5.752 13.099 ( -11.727 -0.000 9.269) 14.948 13.228 ( 2.713 0.000 -7.057) 7.561 13.277 ( -3.891 -0.000 5.924) 7.088 13.547 ( -1.092 -0.000 -1.587) 1.927 13.594 ( 7.866 0.000 -1.665) 8.040 14.117 ( -10.411 -0.000 -0.844) 10.445 14.645 ( -16.058 -0.000 5.176) 16.872 14.936 ( -7.431 -0.000 9.544) 12.096 15.181 ( 1.332 0.000 -18.045) 18.094 15.413 ( -6.915 -0.000 -1.820) 7.151 15.499 ( -4.247 -0.000 1.450) 4.487 15.572 ( 6.272 0.000 0.637) 6.304 15.588 ( -4.870 -0.000 3.397) 5.937 16.182 ( -6.912 -0.000 -2.904) 7.497 16.385 ( 0.605 0.000 1.335) 1.466 16.472 ( 0.189 0.000 -1.254) 1.269 16.820 ( 0.673 0.000 3.963) 4.020 17.151 ( -5.932 -0.000 -2.608) 6.480 17.198 ( -9.160 -0.000 6.324) 11.130 17.927 ( 24.268 0.000 -0.523) 24.274 19.101 ( 26.218 0.000 1.436) 26.257 19.797 ( 7.051 0.000 -26.059) 26.996 20.032 ( 4.830 0.000 16.952) 17.627 21.127 ( -1.833 -0.000 0.469) 1.892 21.612 ( -0.712 -0.000 -0.279) 0.765 21.986 ( 1.505 0.000 -0.373) 1.550 22.083 ( -0.898 -0.000 -3.414) 3.531 22.590 ( -16.731 -0.000 -1.730) 16.820 23.217 ( -11.954 -0.000 6.104) 13.422 ======================= Grid point 139 (60/172) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 22.021 -4.822 13.358) 26.203 3.098 ( 11.807 -3.406 -7.995) 14.660 3.654 ( 5.566 0.120 8.388) 10.067 4.528 ( 23.368 6.436 -12.723) 27.374 4.874 ( 12.812 5.133 -4.987) 14.675 5.149 ( 21.581 -0.862 10.475) 24.004 5.660 ( 4.111 0.219 -8.858) 9.768 6.125 ( -11.048 6.994 -0.434) 13.083 6.324 ( -9.386 8.516 -0.508) 12.684 6.497 ( -0.565 1.226 0.161) 1.359 6.857 ( -12.268 6.065 1.767) 13.799 7.273 ( -5.737 -12.073 4.015) 13.956 7.866 ( -14.132 -4.259 -1.523) 14.838 7.969 ( -4.160 -1.542 11.216) 12.062 8.245 ( 5.817 4.904 -1.778) 7.813 8.523 ( 14.137 -0.974 -2.740) 14.433 8.873 ( 0.435 -1.216 -7.091) 7.208 8.965 ( 1.569 0.308 0.556) 1.693 9.187 ( -2.204 3.130 -2.016) 4.327 9.372 ( -2.084 -3.443 -0.163) 4.028 10.700 ( 0.502 -0.315 -9.376) 9.395 10.907 ( 12.421 -0.778 -9.554) 15.690 11.506 ( 6.851 4.463 7.808) 11.305 11.580 ( 0.277 0.050 -4.783) 4.791 11.657 ( 7.718 2.405 5.903) 10.009 11.738 ( -5.385 0.349 5.159) 7.465 11.840 ( 11.828 -0.305 6.067) 13.297 12.154 ( -5.856 -0.977 3.165) 6.728 12.286 ( 11.157 8.059 -1.845) 13.887 12.609 ( 3.390 1.888 -5.229) 6.511 12.846 ( -3.610 7.097 2.234) 8.269 12.945 ( -0.998 -4.267 -0.320) 4.393 13.217 ( -3.279 1.413 -1.865) 4.028 13.251 ( 3.196 3.356 2.738) 5.383 13.522 ( -2.147 1.549 3.507) 4.394 13.665 ( 3.524 2.580 -3.351) 5.505 14.062 ( -1.251 -3.027 -3.656) 4.909 14.471 ( -18.938 -1.839 6.271) 20.033 14.952 ( -3.632 -6.094 9.344) 11.732 15.114 ( -1.335 2.157 -14.514) 14.734 15.302 ( -5.227 9.807 1.722) 11.246 15.360 ( -6.312 -2.674 -5.286) 8.657 15.647 ( 1.160 -5.635 0.461) 5.771 15.696 ( 9.470 -1.346 2.670) 9.931 16.102 ( -4.346 0.638 -0.784) 4.462 16.352 ( -1.690 1.588 1.995) 3.059 16.508 ( -3.296 -4.179 0.768) 5.378 16.885 ( -0.379 -5.914 2.086) 6.282 17.104 ( -5.319 -2.844 -1.559) 6.230 17.158 ( -7.756 -4.996 3.538) 9.881 18.190 ( 21.479 0.274 -1.981) 21.572 19.367 ( 24.032 5.757 3.697) 24.987 19.655 ( 2.254 13.884 -18.810) 23.488 20.036 ( 0.689 7.406 15.428) 17.127 21.173 ( -0.840 -6.817 1.119) 6.959 21.696 ( 0.054 -8.610 -1.875) 8.812 22.023 ( 0.906 -2.308 -1.776) 3.050 22.093 ( -0.167 -2.494 -4.938) 5.534 22.431 ( -13.250 -3.637 -0.067) 13.740 23.082 ( -11.341 1.049 3.359) 11.874 ======================= Grid point 140 (61/172) ======================= q-point: ( 0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -8.314 6.282 6.247) 12.150 3.408 ( 19.318 -8.526 0.409) 21.119 3.933 ( 23.526 -5.969 9.612) 26.105 4.625 ( 21.068 10.190 -10.634) 25.706 4.753 ( 3.115 16.156 2.182) 16.598 5.329 ( 6.646 0.553 2.191) 7.019 5.745 ( 3.138 -2.292 -6.452) 7.532 5.899 ( -0.805 9.762 -0.219) 9.797 6.068 ( -12.794 4.179 0.372) 13.465 6.497 ( 2.140 0.727 -4.950) 5.442 6.615 ( -8.254 5.656 -3.770) 10.693 7.304 ( -10.691 -2.838 4.066) 11.785 7.740 ( -16.668 -1.475 8.663) 18.842 8.090 ( 4.105 -7.217 4.944) 9.663 8.172 ( 1.905 7.437 -1.195) 7.769 8.703 ( 14.178 -0.642 -2.303) 14.378 8.901 ( -0.817 -4.106 -6.954) 8.117 8.971 ( 1.254 0.444 -0.178) 1.342 9.146 ( 0.245 -0.073 -2.943) 2.954 9.353 ( -6.708 -0.575 -0.208) 6.736 10.703 ( 1.403 -0.123 -5.543) 5.719 11.051 ( 9.596 -2.125 -2.942) 10.259 11.487 ( -1.245 4.960 8.961) 10.317 11.531 ( 0.979 3.659 -5.187) 6.423 11.597 ( -3.386 5.254 4.684) 7.811 11.761 ( 9.934 1.551 1.695) 10.196 11.913 ( 3.337 6.442 -1.662) 7.443 12.078 ( -7.112 3.185 5.077) 9.300 12.328 ( 19.169 4.139 -0.770) 19.626 12.537 ( -3.638 5.547 4.663) 8.109 12.717 ( 2.356 2.629 -6.204) 7.138 13.058 ( -2.508 -4.682 4.674) 7.075 13.154 ( 4.268 0.800 -3.103) 5.337 13.270 ( 6.139 2.414 -1.910) 6.868 13.446 ( -4.868 2.962 1.278) 5.840 13.547 ( -7.285 5.928 -0.956) 9.441 14.128 ( 0.293 -3.571 -1.304) 3.813 14.306 ( -19.065 -3.357 7.341) 20.703 14.993 ( -3.840 7.007 0.905) 8.042 15.071 ( 4.673 -3.392 6.485) 8.683 15.185 ( 2.006 -2.758 -10.729) 11.258 15.349 ( -3.312 -2.908 -8.096) 9.218 15.736 ( 0.405 -2.723 0.971) 2.919 15.839 ( 7.691 -1.002 -1.025) 7.823 16.104 ( 2.960 -3.476 6.143) 7.653 16.321 ( -4.404 -1.899 4.180) 6.362 16.520 ( -7.394 -4.045 0.580) 8.448 17.002 ( -1.928 -8.371 -0.111) 8.591 17.122 ( -3.617 -4.901 0.308) 6.099 17.190 ( -4.654 -6.418 -0.200) 7.930 18.388 ( 16.822 2.275 -3.512) 17.335 19.160 ( 4.373 28.759 -5.265) 29.562 19.673 ( 12.658 -0.422 -0.550) 12.677 19.850 ( -5.515 11.046 10.852) 16.437 21.323 ( 1.064 -8.943 1.657) 9.157 21.828 ( 0.418 -5.350 -1.594) 5.598 22.062 ( -0.824 -1.503 -4.650) 4.956 22.114 ( 0.368 -1.433 -5.445) 5.642 22.490 ( -3.890 -13.917 2.841) 14.727 22.940 ( -11.261 0.058 0.670) 11.281 ======================= Grid point 141 (62/172) ======================= q-point: ( 0.60 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -3.489 11.416 12.650) 17.393 3.717 ( 14.021 -3.812 -3.357) 14.913 4.269 ( 14.255 -1.193 7.639) 16.217 4.422 ( 2.473 18.912 1.157) 19.108 4.703 ( 18.850 9.552 -2.678) 21.301 5.248 ( -9.494 7.527 -0.998) 12.157 5.632 ( -8.657 5.723 3.438) 10.933 5.766 ( -2.848 5.765 -3.324) 7.238 5.948 ( -9.786 -0.932 0.377) 9.837 6.487 ( 7.670 -3.256 -11.466) 14.174 6.615 ( 9.533 -1.948 -8.579) 12.972 7.186 ( -11.346 1.626 2.012) 11.637 7.594 ( -14.884 -1.207 11.271) 18.709 7.983 ( -1.614 11.436 1.595) 11.659 8.286 ( 5.163 -4.803 5.499) 8.942 8.830 ( 7.491 -0.217 -4.086) 8.536 8.971 ( -0.458 -3.058 -2.887) 4.230 9.031 ( 4.120 -6.166 -5.938) 9.501 9.138 ( -0.255 2.066 -2.640) 3.362 9.287 ( -6.505 -2.930 -0.314) 7.141 10.717 ( 3.567 1.115 -1.174) 3.917 11.152 ( 1.440 2.497 7.588) 8.117 11.312 ( -6.743 4.398 -0.893) 8.100 11.486 ( 2.692 9.526 2.155) 10.131 11.507 ( 0.603 1.212 -2.633) 2.961 11.735 ( -2.784 9.021 -3.303) 10.002 11.855 ( 13.632 4.295 -2.386) 14.490 11.922 ( -4.708 5.789 6.665) 10.005 12.399 ( -6.977 2.033 2.725) 7.761 12.519 ( 18.660 4.527 0.471) 19.207 12.724 ( 2.386 0.368 -2.163) 3.241 13.092 ( -1.189 -2.426 1.672) 3.177 13.170 ( -7.412 7.902 -2.000) 11.017 13.257 ( 1.453 -0.293 -0.431) 1.544 13.323 ( 6.032 1.776 -3.876) 7.386 13.476 ( -2.493 -3.660 2.924) 5.307 14.160 ( -8.654 -3.870 2.764) 9.874 14.207 ( -8.457 -4.854 8.525) 12.952 14.846 ( -3.136 2.465 -1.531) 4.272 15.229 ( 5.950 -1.767 3.315) 7.037 15.269 ( 4.325 -3.294 -10.229) 11.584 15.381 ( 3.742 -3.897 -6.853) 8.727 15.759 ( -0.329 -0.176 -0.556) 0.669 15.856 ( 0.977 3.017 0.140) 3.174 16.264 ( -1.367 -4.039 13.776) 14.421 16.368 ( 1.632 -7.679 2.486) 8.235 16.498 ( -6.148 -4.318 -1.746) 7.713 17.119 ( -2.653 -7.779 -2.900) 8.716 17.186 ( -1.291 -5.794 1.384) 6.096 17.268 ( -1.644 -6.518 -1.189) 6.826 18.449 ( 11.197 11.772 -5.305) 17.090 18.700 ( 0.528 21.541 -3.155) 21.777 19.506 ( -8.909 14.785 11.956) 20.998 19.861 ( 7.232 -2.207 -2.596) 7.995 21.486 ( 2.063 -6.839 1.217) 7.246 21.891 ( -0.090 -2.345 -0.263) 2.362 22.032 ( -0.066 2.471 -2.579) 3.572 22.167 ( 2.195 -2.693 -3.559) 4.973 22.682 ( -1.154 -4.113 1.707) 4.600 22.912 ( -7.582 -14.862 -2.179) 16.825 ======================= Grid point 142 (63/172) ======================= q-point: (-0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 4.875 15.405 16.059) 22.781 3.826 ( 8.517 5.345 -8.086) 12.904 4.101 ( 7.272 20.619 3.130) 22.087 4.289 ( -12.014 5.808 10.248) 16.825 4.699 ( 10.205 12.494 0.062) 16.132 4.889 ( -15.501 14.378 -3.283) 21.396 5.471 ( -6.215 2.537 3.973) 7.800 5.691 ( 2.844 1.057 -4.308) 5.269 5.863 ( -6.640 -2.722 2.061) 7.467 6.725 ( 13.095 -8.041 -15.856) 22.080 6.817 ( 13.265 -6.469 -4.797) 15.518 7.043 ( -7.870 -1.178 -3.529) 8.705 7.486 ( -11.764 -2.154 11.003) 16.251 7.775 ( -0.931 10.023 3.681) 10.718 8.398 ( 4.080 -0.862 9.000) 9.920 8.863 ( 3.047 3.705 -5.941) 7.635 8.987 ( -4.581 -2.684 -1.342) 5.477 9.071 ( -3.275 -2.323 -4.813) 6.268 9.218 ( 5.541 -5.620 -3.804) 8.761 9.308 ( -0.390 -3.244 -2.595) 4.173 10.729 ( 6.022 5.225 0.646) 7.999 10.950 ( -6.971 10.826 8.694) 15.537 11.200 ( -4.561 8.382 -3.928) 10.320 11.340 ( -1.164 4.745 -1.613) 5.145 11.497 ( 0.097 1.726 -0.586) 1.825 11.626 ( 0.721 1.297 -2.028) 2.513 11.817 ( 3.098 3.477 9.022) 10.153 11.948 ( 11.573 2.875 -4.292) 12.674 12.250 ( -11.378 3.430 0.401) 11.891 12.575 ( 4.318 4.668 -0.617) 6.389 12.694 ( 1.254 6.111 3.359) 7.085 12.912 ( -4.134 9.366 -0.119) 10.239 13.174 ( 1.268 -5.118 -3.623) 6.397 13.250 ( 1.359 -1.262 -1.121) 2.167 13.395 ( -5.620 -4.553 5.206) 8.911 13.617 ( 13.329 -4.562 -2.509) 14.309 14.131 ( -14.318 -8.227 8.356) 18.507 14.277 ( 2.797 -4.465 5.211) 7.410 14.850 ( 1.194 -4.312 -4.385) 6.265 15.238 ( -0.210 1.276 -6.769) 6.892 15.363 ( 0.533 -4.352 -1.117) 4.524 15.516 ( 6.979 -1.819 -1.967) 7.476 15.742 ( -2.261 1.032 -0.315) 2.505 15.799 ( 2.393 4.041 0.417) 4.715 16.249 ( -8.524 -1.045 9.173) 12.566 16.442 ( -5.385 -4.787 -0.419) 7.217 16.658 ( 7.971 -7.762 4.881) 12.149 17.188 ( -1.230 -3.516 -3.393) 5.038 17.284 ( 0.788 -3.994 -1.733) 4.424 17.381 ( -0.288 -8.330 0.042) 8.336 18.131 ( 2.206 24.127 -0.776) 24.240 18.541 ( 6.812 7.642 -9.532) 13.988 19.162 ( -12.541 11.953 12.714) 21.490 19.931 ( 2.670 0.355 -3.365) 4.310 21.598 ( 1.847 -3.052 0.449) 3.596 21.917 ( 0.565 -0.033 0.043) 0.567 21.977 ( 1.822 4.539 1.614) 5.150 22.226 ( 2.236 -1.533 -3.483) 4.414 22.680 ( -4.356 -3.332 1.795) 5.771 23.186 ( -0.511 -17.752 -3.929) 18.188 ======================= Grid point 143 (64/172) ======================= q-point: (-0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 11.682 18.332 15.866) 26.912 3.671 ( -1.567 18.623 -5.918) 19.604 3.807 ( -2.551 18.264 6.494) 19.552 4.028 ( -16.654 -0.052 12.967) 21.107 4.441 ( -3.036 18.321 0.757) 18.586 4.512 ( 7.478 20.743 -11.433) 24.838 5.407 ( -7.408 -2.576 3.616) 8.636 5.734 ( 5.139 0.387 -5.256) 7.361 5.925 ( -0.823 -8.223 2.573) 8.655 6.889 ( -3.185 -4.328 -3.611) 6.475 7.028 ( 10.672 -9.004 -10.239) 17.315 7.200 ( 9.556 -9.901 -8.755) 16.309 7.452 ( -5.471 -4.841 7.574) 10.523 7.658 ( 4.951 6.149 5.645) 9.706 8.437 ( -0.213 1.344 11.850) 11.928 8.777 ( 0.766 5.864 -3.825) 7.043 8.969 ( -5.931 -1.764 -2.569) 6.699 9.071 ( -2.958 -1.456 -2.591) 4.194 9.305 ( 1.700 -0.797 -8.762) 8.960 9.401 ( 4.143 -4.726 -1.518) 6.466 10.592 ( 0.320 12.297 3.995) 12.934 10.807 ( 0.401 5.817 3.842) 6.983 10.996 ( -0.211 6.287 -5.424) 8.306 11.253 ( -1.167 3.617 -6.350) 7.401 11.408 ( -0.601 6.704 3.673) 7.667 11.654 ( -1.638 -2.640 -0.321) 3.123 11.891 ( 4.356 -3.250 6.562) 8.521 12.009 ( 6.170 1.938 -2.041) 6.782 12.055 ( -6.961 3.273 -1.919) 7.927 12.477 ( -8.937 1.497 5.267) 10.482 12.612 ( 7.061 9.553 -1.246) 11.944 12.725 ( -1.409 8.376 3.060) 9.028 13.279 ( 1.043 -3.957 -3.325) 5.273 13.328 ( 2.236 -5.603 -3.551) 7.000 13.414 ( -5.596 -5.320 3.268) 8.385 13.802 ( 1.560 -2.992 8.078) 8.755 14.179 ( -4.213 -10.506 -0.522) 11.331 14.435 ( 7.263 -5.646 4.247) 10.132 14.970 ( 1.707 -7.001 -4.885) 8.706 15.178 ( -5.136 1.326 -5.967) 7.984 15.429 ( -1.954 -4.094 3.073) 5.479 15.547 ( 0.421 1.936 1.050) 2.242 15.658 ( -6.676 0.779 0.036) 6.721 15.819 ( 10.224 3.795 0.132) 10.906 16.168 ( -10.278 -1.184 4.899) 11.447 16.480 ( 0.045 -3.282 -1.038) 3.442 16.862 ( 6.353 -4.731 7.705) 11.051 17.203 ( -0.435 0.199 -3.438) 3.471 17.305 ( 0.226 1.723 -4.505) 4.828 17.514 ( 1.062 -3.573 0.376) 3.747 17.815 ( 1.920 12.770 0.339) 12.918 18.476 ( 12.121 9.300 -14.112) 20.798 18.863 ( -13.372 7.241 13.868) 20.581 19.904 ( -1.234 2.766 -2.997) 4.261 21.627 ( -0.212 1.102 -0.077) 1.125 21.881 ( 5.095 6.563 1.518) 8.446 21.958 ( 0.066 -0.169 2.397) 2.404 22.254 ( 2.055 0.758 -3.137) 3.826 22.739 ( -3.204 -7.552 3.926) 9.095 23.448 ( -0.538 -13.260 -5.956) 14.546 ======================= Grid point 144 (65/172) ======================= q-point: (-0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 17.374 18.829 12.091) 28.330 3.169 ( -6.994 29.709 16.902) 34.889 3.460 ( -13.450 8.536 -3.827) 16.383 3.998 ( 5.010 1.122 12.387) 13.409 4.200 ( 11.997 19.317 4.683) 23.216 4.239 ( 6.386 11.056 -23.741) 26.957 5.394 ( -8.756 -6.215 2.967) 11.140 5.757 ( 5.003 2.180 -6.655) 8.606 6.100 ( -2.918 -13.045 1.712) 13.476 6.943 ( -3.476 -7.192 -3.943) 8.908 7.217 ( 0.677 -3.295 5.710) 6.628 7.427 ( 4.933 -10.548 -11.946) 16.682 7.580 ( 6.797 -5.488 -1.598) 8.881 7.712 ( 12.371 0.330 4.949) 13.328 8.368 ( -6.424 4.450 10.198) 12.848 8.682 ( -0.884 5.242 2.231) 5.765 8.905 ( -2.399 1.907 -4.658) 5.575 9.045 ( -3.318 -0.737 -2.244) 4.073 9.283 ( 0.044 2.673 -8.989) 9.378 9.517 ( 3.080 -3.435 -2.076) 5.059 10.445 ( 2.464 6.222 4.308) 7.959 10.676 ( 0.942 7.653 1.338) 7.826 11.000 ( 7.247 0.420 -5.823) 9.306 11.180 ( 2.645 3.587 -7.744) 8.935 11.310 ( 0.891 3.882 2.763) 4.847 11.606 ( -6.051 2.622 -1.225) 6.708 11.971 ( -4.474 -8.181 -3.142) 9.840 12.030 ( 0.789 -1.446 13.047) 13.151 12.058 ( 7.391 2.345 -3.857) 8.661 12.393 ( -4.793 0.772 6.287) 7.943 12.503 ( 3.585 8.090 -3.155) 9.395 12.618 ( 2.121 4.563 3.888) 6.359 13.310 ( -3.356 -2.480 -0.350) 4.188 13.449 ( -4.878 -4.942 -1.317) 7.067 13.470 ( 2.003 -6.655 -3.195) 7.649 13.788 ( -9.376 -1.221 11.604) 14.969 14.385 ( 6.224 -10.702 -5.953) 13.737 14.615 ( 4.316 -4.387 2.648) 6.700 15.026 ( -10.139 -0.832 0.692) 10.197 15.115 ( 0.020 -5.440 -9.837) 11.241 15.469 ( -3.675 -2.927 6.952) 8.390 15.525 ( -0.846 1.345 5.018) 5.264 15.587 ( -5.099 -1.313 -0.099) 5.267 15.861 ( 9.775 4.938 -0.005) 10.951 16.073 ( -11.185 -1.580 1.747) 11.430 16.544 ( 3.548 -1.072 -0.779) 3.788 16.985 ( 4.481 0.236 7.596) 8.822 17.160 ( -0.151 3.213 -3.253) 4.575 17.232 ( 2.642 5.720 -4.973) 8.027 17.490 ( 4.009 7.474 2.187) 8.758 17.726 ( -3.519 -0.232 -3.875) 5.240 18.459 ( 12.086 9.364 -4.746) 16.009 18.699 ( -1.725 -0.533 2.321) 2.940 19.820 ( -2.502 3.252 -0.641) 4.153 21.559 ( -1.849 4.690 -0.504) 5.067 21.852 ( 7.076 5.431 2.626) 9.298 21.970 ( 0.497 -0.655 2.257) 2.402 22.234 ( 1.482 3.205 -2.601) 4.386 22.857 ( -3.457 -8.537 6.325) 11.173 23.599 ( -4.072 -7.985 -7.787) 11.874 ======================= Grid point 149 (66/172) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -2.628 -0.000 -0.717) 2.725 3.222 ( 21.393 0.000 10.495) 23.829 3.804 ( 17.795 0.000 9.816) 20.323 4.807 ( 19.365 0.000 -14.816) 24.383 5.018 ( 3.285 0.000 -3.929) 5.121 5.356 ( 10.752 0.000 3.036) 11.173 5.669 ( 3.704 0.000 -7.220) 8.114 6.133 ( -16.964 -0.000 4.503) 17.552 6.134 ( 0.350 0.000 -6.862) 6.871 6.675 ( 0.866 0.000 -1.010) 1.330 6.865 ( -1.160 -0.000 4.150) 4.309 7.042 ( -5.295 -0.000 3.805) 6.521 7.652 ( -14.951 -0.000 1.807) 15.059 7.901 ( -5.822 -0.000 9.821) 11.417 8.371 ( 6.179 0.000 -1.483) 6.354 8.644 ( 11.352 0.000 -0.926) 11.390 8.873 ( 1.494 0.000 -6.551) 6.719 8.991 ( 2.058 0.000 -0.717) 2.179 9.147 ( -6.762 -0.000 -3.359) 7.550 9.337 ( -0.528 -0.000 0.013) 0.528 10.701 ( 2.940 0.000 -8.513) 9.006 11.022 ( 10.860 0.000 -6.746) 12.784 11.550 ( -1.838 -0.000 -5.742) 6.029 11.564 ( -5.422 -0.000 11.633) 12.834 11.741 ( 3.166 0.000 2.494) 4.031 11.829 ( 10.205 0.000 6.906) 12.322 11.957 ( 9.646 0.000 5.213) 10.965 12.107 ( -0.710 -0.000 -1.990) 2.113 12.488 ( 9.608 0.000 -0.544) 9.624 12.637 ( 0.977 0.000 -5.552) 5.637 12.798 ( -14.622 -0.000 7.404) 16.390 12.875 ( 0.175 0.000 -1.593) 1.602 13.205 ( -0.796 -0.000 -1.720) 1.895 13.332 ( 5.598 0.000 2.631) 6.185 13.541 ( -2.863 -0.000 2.898) 4.073 13.747 ( 2.673 0.000 -4.744) 5.446 14.031 ( 3.884 0.000 -4.133) 5.672 14.274 ( -15.913 -0.000 7.684) 17.671 14.851 ( -1.441 -0.000 6.535) 6.692 15.113 ( 0.699 0.000 -16.094) 16.109 15.211 ( -9.227 -0.000 -0.690) 9.252 15.417 ( -1.616 -0.000 0.956) 1.878 15.516 ( -3.080 -0.000 2.426) 3.920 15.803 ( 7.527 0.000 -0.455) 7.541 16.073 ( -0.376 -0.000 1.565) 1.609 16.352 ( -3.443 -0.000 1.549) 3.776 16.450 ( -1.059 -0.000 -0.987) 1.448 16.831 ( -0.975 -0.000 2.083) 2.300 17.011 ( -4.830 -0.000 -0.440) 4.850 17.036 ( -6.064 -0.000 3.844) 7.180 18.419 ( 18.057 0.000 -2.403) 18.216 19.622 ( 12.054 0.000 -2.251) 12.262 19.863 ( 11.044 0.000 -12.734) 16.856 20.130 ( -2.575 -0.000 17.903) 18.087 21.089 ( -1.380 -0.000 1.450) 2.002 21.583 ( -1.427 -0.000 -1.450) 2.034 22.014 ( 1.205 0.000 -2.060) 2.387 22.056 ( -0.938 -0.000 -4.002) 4.110 22.264 ( -8.911 -0.000 -1.278) 9.003 22.973 ( -10.405 -0.000 1.290) 10.485 ======================= Grid point 150 (67/172) ======================= q-point: ( 0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -0.347 4.089 10.191) 10.986 3.487 ( 13.542 -4.845 6.088) 15.618 4.068 ( 14.387 -6.017 6.967) 17.080 4.879 ( 0.252 7.925 -7.516) 10.925 4.978 ( 7.293 3.264 -5.632) 9.776 5.410 ( 1.646 1.089 -4.755) 5.148 5.723 ( 2.391 -0.022 -3.201) 3.996 5.957 ( -11.401 1.783 4.059) 12.233 6.122 ( 8.679 7.427 -9.438) 14.817 6.563 ( -9.978 3.139 -3.878) 11.156 6.709 ( 7.785 11.878 2.479) 14.416 7.151 ( -3.377 -5.483 3.701) 7.427 7.532 ( -14.073 -3.165 8.583) 16.785 7.949 ( -0.746 -9.740 6.701) 11.846 8.355 ( 3.664 7.828 -0.888) 8.689 8.802 ( 8.428 -3.919 -0.250) 9.298 8.857 ( -0.272 0.853 -6.204) 6.268 8.995 ( 0.661 1.061 -2.045) 2.397 9.099 ( -2.243 -2.192 -3.600) 4.775 9.296 ( -5.153 1.629 -1.480) 5.604 10.740 ( 6.172 0.380 -5.192) 8.074 11.128 ( 8.222 -0.268 -1.899) 8.443 11.485 ( -8.262 2.226 12.327) 15.006 11.510 ( -3.094 0.433 -7.203) 7.852 11.726 ( 2.547 3.668 3.837) 5.888 11.951 ( 11.768 2.558 1.772) 12.173 12.041 ( -1.556 -0.722 2.374) 2.929 12.082 ( 5.613 6.418 -1.579) 8.671 12.534 ( 1.349 4.745 -0.445) 4.954 12.600 ( 2.597 0.970 3.083) 4.146 12.691 ( -5.377 -2.477 -1.115) 6.025 12.917 ( -4.400 -5.163 3.215) 7.507 13.210 ( 5.083 0.301 -2.054) 5.490 13.401 ( 7.195 2.160 0.084) 7.513 13.452 ( -3.180 3.759 2.090) 5.349 13.635 ( -5.738 8.627 -7.073) 12.545 14.104 ( 2.232 -0.697 0.003) 2.338 14.110 ( -10.517 0.928 8.142) 13.333 14.965 ( 0.229 -8.849 2.319) 9.150 15.090 ( 3.896 1.235 -1.646) 4.406 15.159 ( -8.919 -0.606 -1.181) 9.018 15.261 ( 2.282 3.886 -8.402) 9.534 15.655 ( 0.696 -8.721 1.006) 8.806 15.855 ( 0.467 -1.947 -5.027) 5.411 16.121 ( 5.169 -1.630 7.073) 8.911 16.289 ( -3.540 2.339 3.934) 5.787 16.433 ( -1.836 0.449 -0.913) 2.099 16.858 ( -2.733 -4.930 0.464) 5.656 17.000 ( -3.098 -3.802 1.398) 5.100 17.044 ( -2.327 -5.548 0.947) 6.091 18.587 ( 13.177 1.061 -2.454) 13.445 19.575 ( -4.318 12.304 -16.135) 20.746 19.869 ( 13.838 10.619 9.685) 19.952 20.017 ( -3.493 10.781 11.530) 16.167 21.169 ( -0.031 -8.730 2.692) 9.136 21.689 ( 0.266 -10.674 -2.717) 11.018 22.030 ( 0.476 -1.244 -4.411) 4.607 22.065 ( 0.108 -2.889 -4.493) 5.343 22.256 ( -1.850 -6.937 2.499) 7.602 22.842 ( -9.851 1.700 -1.466) 10.103 ======================= Grid point 151 (68/172) ======================= q-point: (-0.40 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 6.443 8.673 16.598) 19.805 3.697 ( 2.542 -7.215 1.802) 7.858 4.290 ( -3.516 -8.252 5.809) 10.686 4.653 ( -3.155 12.470 -1.825) 12.992 4.970 ( 3.272 5.773 -4.159) 7.832 5.317 ( -5.237 7.117 -8.057) 11.958 5.679 ( 0.721 5.463 2.367) 5.997 5.823 ( -4.390 2.268 -0.403) 4.958 5.997 ( 4.777 13.747 -5.130) 15.431 6.530 ( 9.691 -2.471 -8.868) 13.367 6.673 ( 3.380 0.026 -0.924) 3.504 7.132 ( -2.051 3.123 -0.569) 3.779 7.439 ( -12.326 -1.648 13.311) 18.216 8.165 ( -0.842 -2.436 2.134) 3.346 8.215 ( 3.753 2.622 3.812) 5.957 8.825 ( -3.181 -2.552 -5.820) 7.107 8.928 ( 1.443 -0.465 -2.416) 2.853 9.028 ( 5.939 -3.725 -3.014) 7.631 9.137 ( -2.298 0.486 -3.080) 3.873 9.173 ( -4.842 -0.580 -1.961) 5.256 10.805 ( 8.192 1.355 -0.214) 8.306 11.205 ( 3.644 0.478 3.421) 5.021 11.343 ( -5.496 5.982 7.418) 11.001 11.442 ( -4.646 0.450 -8.998) 10.137 11.702 ( 1.800 5.223 6.585) 8.596 11.852 ( -6.018 8.023 -3.850) 10.743 12.001 ( 3.317 6.938 0.288) 7.696 12.097 ( 10.786 3.398 3.797) 11.929 12.380 ( -6.029 5.538 0.921) 8.238 12.649 ( -5.948 -0.852 -2.478) 6.500 12.759 ( 8.428 -3.312 5.068) 10.377 12.955 ( -4.048 -5.850 -0.233) 7.118 13.235 ( -7.685 7.879 -1.940) 11.176 13.310 ( 6.306 0.440 -0.929) 6.389 13.396 ( -1.026 6.073 -1.034) 6.245 13.553 ( 14.755 1.405 -4.707) 15.551 13.957 ( -13.516 -0.288 9.496) 16.521 14.168 ( 3.517 -1.331 4.395) 5.784 14.898 ( -2.882 7.511 -1.557) 8.194 15.127 ( -7.331 -8.263 -0.779) 11.074 15.242 ( 4.006 -3.808 -2.554) 6.089 15.335 ( 7.100 -5.837 -6.902) 11.495 15.751 ( 1.329 -1.109 -1.548) 2.322 15.905 ( 2.793 -1.803 -4.067) 5.253 16.205 ( -8.174 -5.876 3.092) 10.531 16.253 ( 1.083 1.380 13.258) 13.373 16.428 ( 3.552 -2.329 -0.524) 4.280 16.941 ( -2.114 -8.242 -1.923) 8.724 17.069 ( -0.638 -6.079 1.133) 6.217 17.149 ( 0.595 -6.675 -0.132) 6.703 18.674 ( 8.669 2.814 -3.127) 9.636 19.139 ( -3.566 26.618 -7.207) 27.806 19.658 ( -13.176 13.558 6.701) 20.058 19.943 ( 8.705 4.773 5.645) 11.421 21.351 ( 0.527 -10.152 3.029) 10.608 21.833 ( 0.343 -4.768 -1.246) 4.940 22.073 ( 4.571 -0.703 -3.188) 5.617 22.128 ( 1.412 -3.395 -2.794) 4.618 22.491 ( 2.630 -18.396 0.349) 18.587 22.690 ( -9.502 2.036 -3.421) 10.302 ======================= Grid point 152 (69/172) ======================= q-point: (-0.30 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 11.074 12.374 16.952) 23.731 3.768 ( -10.535 -5.104 -1.110) 11.758 4.199 ( -22.829 4.024 5.114) 23.738 4.401 ( -4.116 9.092 1.538) 10.098 4.834 ( -8.970 7.444 1.361) 11.736 5.048 ( -4.230 11.459 -8.635) 14.959 5.602 ( 6.604 8.847 4.001) 11.743 5.808 ( 8.094 2.637 -5.515) 10.143 5.852 ( 6.166 7.266 -1.777) 9.694 6.679 ( 1.500 -6.168 -5.782) 8.586 6.848 ( 14.068 -8.029 -3.396) 16.550 7.024 ( 1.410 6.257 -7.969) 10.229 7.363 ( -8.912 -1.426 13.880) 16.557 7.980 ( 1.791 11.677 1.185) 11.873 8.393 ( 2.084 -6.044 8.109) 10.326 8.836 ( -4.077 -3.828 -4.460) 7.153 8.948 ( 0.464 -1.621 -5.849) 6.087 8.968 ( -9.617 2.802 -2.452) 10.313 9.163 ( 1.872 -5.842 -5.169) 8.022 9.265 ( 5.522 -3.585 -0.320) 6.591 10.875 ( 8.524 2.197 3.732) 9.561 11.095 ( -3.832 11.733 7.537) 14.463 11.249 ( -2.162 3.541 -1.088) 4.289 11.371 ( -4.980 0.032 -9.064) 10.342 11.503 ( -6.438 8.067 1.007) 10.370 11.766 ( 5.400 4.708 0.644) 7.194 11.916 ( 2.074 5.270 6.097) 8.321 12.109 ( -4.225 3.244 2.144) 5.742 12.244 ( 5.061 6.993 -3.396) 9.276 12.531 ( -13.269 0.722 2.632) 13.546 12.845 ( 1.955 2.648 3.153) 4.558 12.995 ( -4.472 0.545 -1.522) 4.755 13.097 ( 2.875 -2.764 -3.345) 5.205 13.269 ( 1.000 2.825 -2.344) 3.805 13.397 ( 6.680 4.974 2.759) 8.774 13.713 ( 10.597 -0.452 -0.953) 10.649 13.874 ( -8.210 -5.789 5.882) 11.641 14.278 ( 7.104 -3.433 6.735) 10.373 14.800 ( -1.840 -0.481 -5.261) 5.594 15.177 ( -5.387 -5.248 1.711) 7.713 15.288 ( -0.261 -1.366 -8.128) 8.246 15.489 ( 1.680 -4.660 -1.077) 5.069 15.748 ( -0.094 2.251 -3.187) 3.903 15.927 ( 4.912 3.060 -1.025) 5.878 16.185 ( -7.128 1.069 6.844) 9.939 16.273 ( -2.493 -7.175 5.530) 9.395 16.605 ( 6.357 -8.299 4.024) 11.202 17.076 ( 0.126 -7.636 -3.689) 8.482 17.200 ( 2.806 -7.494 -0.229) 8.005 17.267 ( 1.201 -5.518 -0.130) 5.649 18.606 ( 0.816 27.051 -3.481) 27.286 18.698 ( 2.611 3.973 -3.182) 5.721 19.259 ( -13.624 14.391 5.542) 20.577 19.949 ( 0.390 1.726 1.677) 2.438 21.518 ( 0.409 -7.420 1.942) 7.681 21.889 ( -0.139 -2.440 0.036) 2.445 22.116 ( 6.916 4.170 0.360) 8.084 22.199 ( 1.065 -3.524 -3.037) 4.772 22.569 ( -8.250 -1.685 -2.450) 8.769 22.881 ( 5.990 -18.856 -2.399) 19.930 ======================= Grid point 153 (70/172) ======================= q-point: (-0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 9.938 14.972 12.717) 22.015 3.645 ( -20.242 -3.512 -2.273) 20.669 3.756 ( -26.446 10.128 8.421) 29.545 4.222 ( -0.087 14.047 7.297) 15.830 4.484 ( -18.117 7.967 -6.929) 20.969 4.913 ( 7.012 7.550 -2.128) 10.522 5.523 ( 10.588 11.788 1.428) 15.909 5.815 ( 4.497 3.589 -2.049) 6.108 5.887 ( 7.691 0.465 -5.568) 9.506 6.752 ( -6.596 -5.011 0.295) 8.289 7.009 ( 10.981 -2.870 -13.196) 17.406 7.143 ( 4.853 -6.679 1.955) 8.484 7.367 ( 2.583 -4.584 5.568) 7.661 7.867 ( 8.288 7.666 3.170) 11.726 8.467 ( -1.246 0.266 11.138) 11.211 8.804 ( -8.686 0.971 0.661) 8.765 8.847 ( -4.260 -2.855 -6.850) 8.557 8.996 ( -0.337 -2.930 -5.195) 5.974 9.252 ( -0.219 -4.590 -8.052) 9.271 9.392 ( 5.870 -2.986 0.084) 6.586 10.826 ( -1.748 14.197 4.485) 14.991 10.925 ( 4.305 3.684 5.643) 7.997 11.067 ( -6.296 7.314 -2.273) 9.915 11.288 ( -1.150 1.898 -9.087) 9.354 11.428 ( -2.855 -1.409 -1.833) 3.674 11.711 ( 4.452 7.012 1.264) 8.402 11.895 ( -6.398 4.749 -1.884) 8.188 11.964 ( -1.545 -1.862 9.616) 9.916 12.212 ( 4.713 5.912 -3.375) 8.280 12.396 ( -6.436 0.067 5.428) 8.420 12.759 ( -2.391 5.733 0.815) 6.264 12.908 ( 0.720 6.580 1.334) 6.753 13.213 ( -0.027 -5.861 -0.252) 5.866 13.300 ( 7.395 -0.753 -3.699) 8.303 13.345 ( -0.387 4.305 1.106) 4.462 13.718 ( -9.587 -2.709 12.328) 15.851 14.047 ( 10.433 -7.733 -7.270) 14.883 14.459 ( 9.907 -4.159 5.147) 11.914 14.830 ( -3.837 -6.759 -7.005) 10.463 15.147 ( -5.038 2.813 -3.664) 6.835 15.310 ( -2.864 -5.192 2.839) 6.574 15.537 ( -1.451 -1.560 -0.068) 2.131 15.661 ( -2.180 4.619 -2.856) 5.851 15.938 ( 0.503 -0.641 -2.115) 2.267 16.093 ( -3.499 3.572 11.760) 12.779 16.401 ( 2.140 -6.527 -1.278) 6.987 16.834 ( 6.230 -8.050 6.070) 11.851 17.165 ( -0.345 -3.364 -4.025) 5.257 17.318 ( 2.396 -1.241 -3.372) 4.318 17.409 ( 2.151 -8.356 -0.073) 8.628 18.164 ( 0.518 22.012 1.082) 22.045 18.687 ( 3.943 1.964 -4.419) 6.240 18.894 ( -8.843 12.522 3.637) 15.756 19.895 ( -4.734 1.565 0.061) 4.986 21.609 ( -0.659 -2.552 -0.065) 2.636 21.925 ( -0.349 -1.804 1.031) 2.107 22.079 ( 4.743 6.787 0.431) 8.291 22.257 ( 1.059 -2.127 -4.445) 5.040 22.577 ( -3.793 -6.664 3.102) 8.271 23.231 ( 5.568 -13.416 -3.879) 15.035 ======================= Grid point 154 (71/172) ======================= q-point: (-0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 3.498 11.554 9.359) 15.275 3.381 ( -12.015 8.212 11.534) 18.570 3.458 ( -16.713 1.963 -0.140) 16.829 3.923 ( -0.944 13.113 8.565) 15.691 4.250 ( -13.596 -1.404 -16.008) 21.050 4.858 ( 17.020 15.789 5.107) 23.771 5.453 ( 11.105 10.214 -2.024) 15.224 5.796 ( -0.013 0.015 -4.382) 4.382 5.962 ( 4.646 -2.227 -5.476) 7.519 6.762 ( -7.116 -5.948 -0.141) 9.276 7.159 ( -4.081 -2.165 8.575) 9.740 7.276 ( 6.971 -10.753 -8.270) 15.252 7.583 ( 11.431 -6.073 -3.266) 13.350 7.917 ( 14.911 3.272 3.833) 15.740 8.387 ( -7.352 4.701 11.667) 14.570 8.701 ( -7.774 1.236 2.773) 8.345 8.844 ( -3.804 -3.321 -6.503) 8.233 9.015 ( 0.311 -0.015 -3.246) 3.261 9.286 ( -0.355 -0.846 -8.828) 8.876 9.495 ( 3.502 -2.723 -1.644) 4.731 10.615 ( 1.440 9.239 4.127) 10.221 10.812 ( -1.045 6.994 1.730) 7.280 11.002 ( -1.245 -1.476 -1.708) 2.578 11.258 ( 2.752 0.700 -8.753) 9.202 11.392 ( 0.764 4.236 1.023) 4.424 11.647 ( 0.208 6.779 -3.983) 7.865 11.763 ( -5.024 -5.161 -2.008) 7.477 12.040 ( -1.321 -0.453 11.995) 12.076 12.141 ( 1.128 0.630 -4.083) 4.283 12.410 ( 4.209 0.812 7.873) 8.964 12.619 ( -3.161 5.748 -4.322) 7.855 12.798 ( 4.170 8.656 5.044) 10.852 13.234 ( -7.765 1.065 2.476) 8.219 13.281 ( -5.766 -4.837 3.024) 8.111 13.432 ( 6.190 -3.514 -4.095) 8.211 13.706 ( -1.564 -1.973 7.316) 7.737 14.282 ( 6.851 -8.394 -6.745) 12.763 14.615 ( 2.738 -2.400 1.616) 3.983 14.892 ( -3.963 -5.202 -3.734) 7.530 15.015 ( -4.253 0.435 -9.252) 10.192 15.380 ( -2.477 -3.634 8.735) 9.780 15.515 ( -4.217 0.796 -0.712) 4.351 15.573 ( -0.742 2.116 2.769) 3.563 15.919 ( -9.088 -2.041 2.135) 9.556 16.046 ( 6.318 4.664 5.594) 9.642 16.535 ( 4.266 -4.516 -2.208) 6.593 17.018 ( 4.167 -3.653 5.809) 8.028 17.177 ( -0.749 -0.108 -3.915) 3.988 17.320 ( 2.288 2.443 -4.955) 5.980 17.531 ( -0.167 -3.951 -1.908) 4.391 17.876 ( 4.034 14.411 3.117) 15.286 18.575 ( -14.893 3.329 11.314) 18.998 18.802 ( 18.643 3.718 -13.325) 23.215 19.800 ( -6.720 1.181 0.862) 6.877 21.593 ( -1.923 1.858 -1.951) 3.310 21.944 ( -0.635 -0.817 1.085) 1.500 22.032 ( 4.783 4.428 0.343) 6.527 22.274 ( 0.526 0.486 -4.680) 4.735 22.688 ( -2.209 -7.928 7.986) 11.467 23.443 ( 1.793 -6.570 -5.402) 8.693 ======================= Grid point 160 (72/172) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 9.481 0.000 15.373) 18.062 3.548 ( 1.344 0.000 9.166) 9.264 4.069 ( -5.612 -0.000 3.536) 6.633 4.985 ( 3.912 0.000 1.899) 4.349 4.990 ( -2.330 -0.000 -16.827) 16.987 5.385 ( -4.084 -0.000 -7.614) 8.640 5.790 ( 6.625 0.000 -1.463) 6.784 5.870 ( -6.715 -0.000 2.059) 7.024 6.314 ( 14.893 0.000 -12.758) 19.610 6.477 ( -5.273 -0.000 -5.780) 7.824 6.839 ( -13.815 -0.000 8.604) 16.275 7.185 ( 18.922 0.000 2.331) 19.065 7.370 ( -11.394 -0.000 11.478) 16.173 7.828 ( -3.396 -0.000 6.006) 6.899 8.473 ( 3.088 0.000 0.176) 3.093 8.775 ( -6.850 -0.000 -2.830) 7.412 8.876 ( 5.674 0.000 -2.508) 6.203 8.997 ( -2.018 -0.000 -3.518) 4.056 9.068 ( 2.322 0.000 -3.145) 3.910 9.250 ( -5.725 -0.000 -4.342) 7.185 10.832 ( 9.773 0.000 -3.241) 10.296 11.212 ( 6.361 0.000 -0.334) 6.370 11.448 ( -5.014 -0.000 12.783) 13.731 11.471 ( -2.940 -0.000 -6.638) 7.260 11.768 ( -0.136 -0.000 3.131) 3.134 11.971 ( -6.738 -0.000 -3.189) 7.455 12.135 ( 9.667 0.000 5.732) 11.238 12.212 ( 4.538 0.000 -1.511) 4.783 12.526 ( -8.591 -0.000 2.814) 9.041 12.594 ( -1.822 -0.000 -3.354) 3.816 12.628 ( 1.187 0.000 1.636) 2.021 12.849 ( -0.703 -0.000 4.285) 4.342 13.286 ( 8.774 0.000 -2.138) 9.030 13.434 ( -5.941 -0.000 2.984) 6.649 13.485 ( -1.613 -0.000 1.758) 2.385 13.639 ( 1.239 0.000 -9.442) 9.523 14.054 ( -6.558 -0.000 5.331) 8.451 14.169 ( 6.147 0.000 1.630) 6.359 14.865 ( -2.619 -0.000 0.780) 2.733 15.074 ( 1.136 0.000 3.019) 3.226 15.142 ( 4.803 0.000 -7.679) 9.057 15.440 ( -3.656 -0.000 -1.316) 3.886 15.456 ( 4.250 0.000 0.193) 4.254 15.820 ( -0.829 -0.000 -6.674) 6.725 16.130 ( -2.920 -0.000 5.661) 6.370 16.343 ( 5.353 0.000 6.261) 8.237 16.437 ( 0.327 0.000 -1.100) 1.148 16.775 ( -3.760 -0.000 -0.927) 3.872 16.957 ( 0.279 0.000 0.742) 0.792 16.962 ( -1.379 -0.000 2.489) 2.845 18.713 ( 7.352 0.000 -0.223) 7.355 19.551 ( -8.173 -0.000 -15.465) 17.491 19.983 ( -14.079 -0.000 10.157) 17.360 20.296 ( 19.253 0.000 10.411) 21.888 21.090 ( 1.198 0.000 2.508) 2.779 21.546 ( -0.973 -0.000 -3.017) 3.170 22.022 ( 0.770 0.000 -4.561) 4.625 22.024 ( 0.457 0.000 -3.434) 3.464 22.223 ( 3.570 0.000 3.793) 5.209 22.747 ( -8.667 -0.000 -5.478) 10.253 ======================= Grid point 161 (73/172) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 12.442 6.909 18.207) 23.109 3.560 ( -7.683 -5.240 8.234) 12.421 3.985 ( -21.044 -8.206 4.183) 22.971 4.763 ( -13.539 9.060 -14.541) 21.836 5.058 ( 4.355 2.929 0.082) 5.249 5.272 ( -12.071 1.263 -8.400) 14.760 5.818 ( 4.547 3.775 0.797) 5.963 5.863 ( 8.828 1.444 -0.768) 8.978 6.303 ( 8.415 11.418 -10.187) 17.463 6.556 ( 5.472 -4.030 -5.194) 8.554 6.662 ( -6.467 0.533 6.559) 9.226 7.283 ( -4.361 1.000 6.538) 7.922 7.319 ( 8.097 5.531 5.269) 11.132 7.956 ( -0.408 -14.165 5.632) 15.249 8.408 ( 0.769 9.190 0.535) 9.238 8.708 ( -6.489 -3.261 -2.909) 7.824 8.930 ( -4.875 1.121 -4.466) 6.706 8.960 ( 0.046 -3.757 -2.011) 4.262 9.116 ( -0.421 0.599 -3.272) 3.353 9.168 ( 1.521 -0.120 -5.409) 5.620 10.938 ( 9.982 1.097 0.891) 10.081 11.263 ( 2.938 0.336 -1.371) 3.259 11.392 ( -1.823 2.931 2.353) 4.177 11.423 ( -1.298 3.190 3.163) 4.676 11.746 ( -4.666 2.608 4.361) 6.899 11.839 ( -8.617 1.542 -4.992) 10.077 12.157 ( -4.790 3.469 6.215) 8.579 12.196 ( 2.696 3.036 2.144) 4.592 12.444 ( -2.846 1.927 0.173) 3.441 12.576 ( 1.087 3.023 -1.133) 3.406 12.700 ( 0.952 -6.560 -0.937) 6.694 12.884 ( 2.329 -1.678 2.552) 3.841 13.272 ( -9.813 7.358 -1.388) 12.343 13.355 ( -0.658 0.631 0.053) 0.914 13.462 ( 5.079 -2.159 0.337) 5.529 13.731 ( 11.660 -0.397 -5.279) 12.806 13.937 ( -2.141 6.872 4.112) 8.290 14.225 ( 4.698 0.418 4.952) 6.839 14.877 ( -9.201 -6.089 0.354) 11.039 15.039 ( 2.984 8.769 -2.375) 9.563 15.235 ( 5.300 -2.685 1.777) 6.202 15.327 ( 4.310 -0.756 -6.437) 7.783 15.704 ( 3.950 -11.141 -0.240) 11.823 15.829 ( 0.950 -3.524 -6.111) 7.118 16.077 ( -7.062 0.831 4.668) 8.506 16.371 ( 4.169 5.242 10.377) 12.350 16.444 ( 2.037 -0.413 -0.453) 2.128 16.788 ( -1.863 -6.184 -2.875) 7.069 16.985 ( 1.392 -3.796 1.044) 4.176 17.047 ( 1.771 -6.247 0.772) 6.539 18.755 ( 0.480 0.575 2.432) 2.544 19.350 ( -10.680 8.336 -14.507) 19.850 19.710 ( -15.140 10.559 3.661) 18.818 20.309 ( 12.629 18.818 13.518) 26.389 21.194 ( 1.524 -8.116 3.044) 8.801 21.697 ( 0.959 -12.149 -1.949) 12.342 22.042 ( 0.066 -3.109 -3.886) 4.977 22.100 ( 5.250 -6.392 -3.879) 9.136 22.316 ( 4.891 -3.694 5.823) 8.454 22.628 ( -6.468 1.251 -9.618) 11.658 ======================= Grid point 162 (74/172) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( -4.763 5.124 12.477) 14.305 3.572 ( -3.683 0.773 6.317) 7.353 3.883 ( -26.523 -7.818 7.187) 28.570 4.371 ( -18.971 7.843 -10.791) 23.191 4.921 ( -9.259 6.997 -0.430) 11.613 5.070 ( -9.713 6.448 -3.533) 12.182 5.837 ( 12.192 5.476 1.734) 13.477 5.957 ( 12.412 2.756 -3.607) 13.216 6.163 ( 8.421 13.722 -4.873) 16.821 6.542 ( -6.503 -4.678 3.406) 8.705 6.858 ( 13.159 -8.007 -3.422) 15.780 7.211 ( -0.776 4.745 2.585) 5.459 7.293 ( 3.724 4.167 2.068) 5.959 8.160 ( 1.300 0.784 1.834) 2.381 8.295 ( 1.317 -3.093 4.702) 5.780 8.716 ( -3.680 -3.580 -1.970) 5.499 8.822 ( -12.124 -1.098 -3.745) 12.737 8.968 ( -0.914 1.851 -3.307) 3.899 9.073 ( -0.686 -3.081 -7.513) 8.149 9.284 ( 6.846 -3.570 -1.496) 7.865 11.017 ( 7.463 2.236 6.497) 10.144 11.250 ( -2.538 2.341 -6.736) 7.570 11.304 ( -3.017 6.694 1.657) 7.528 11.334 ( 2.791 5.566 2.034) 6.551 11.512 ( -14.531 6.704 -0.308) 16.006 11.819 ( 0.029 -2.204 1.726) 2.800 12.031 ( -8.660 2.377 4.682) 10.127 12.131 ( 2.261 8.137 -0.066) 8.445 12.348 ( -9.614 1.771 1.807) 9.941 12.522 ( 6.001 6.896 3.358) 9.739 12.819 ( -1.476 -5.663 -0.606) 5.884 12.918 ( -0.442 1.006 0.553) 1.230 13.105 ( -1.097 1.208 -3.617) 3.968 13.332 ( 2.683 1.136 -2.020) 3.545 13.561 ( 2.566 -1.051 6.038) 6.644 13.740 ( -5.340 5.450 3.870) 8.555 13.926 ( 16.820 2.240 -5.695) 17.899 14.331 ( 9.100 -2.933 6.849) 11.761 14.752 ( -9.043 3.185 -6.688) 11.690 15.051 ( 2.582 -3.763 4.172) 6.184 15.280 ( 1.417 0.820 -5.651) 5.884 15.429 ( 2.302 -4.132 -2.351) 5.282 15.793 ( 1.044 2.023 -2.654) 3.497 15.965 ( -8.272 0.955 2.942) 8.832 16.042 ( 7.579 -10.944 -4.294) 13.987 16.297 ( -1.003 6.049 14.793) 16.013 16.538 ( 4.039 -6.403 1.180) 7.662 16.923 ( 0.569 -9.407 -3.567) 10.077 17.113 ( 4.350 -6.703 -0.570) 8.011 17.187 ( 2.234 -6.348 0.237) 6.734 18.707 ( -8.943 0.956 6.389) 11.032 18.983 ( -6.779 17.746 -10.093) 21.512 19.351 ( -10.727 12.254 -3.431) 16.644 20.109 ( 3.902 15.322 10.917) 19.214 21.373 ( 0.684 -9.564 2.657) 9.950 21.834 ( 0.135 -4.038 -0.708) 4.102 22.106 ( -0.817 -5.262 -3.920) 6.613 22.286 ( 10.666 2.524 -0.156) 10.962 22.384 ( -10.164 -6.337 -1.733) 12.102 22.701 ( 10.742 -12.902 -4.973) 17.509 ======================= Grid point 163 (75/172) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -15.315 1.731 5.171) 16.257 3.359 ( -20.539 8.976 -0.352) 22.417 3.607 ( -25.294 0.390 4.317) 25.663 4.166 ( -6.407 0.129 -2.127) 6.752 4.653 ( -7.423 15.861 4.979) 18.206 4.916 ( -4.946 -4.266 2.395) 6.957 5.862 ( 11.524 8.926 -0.268) 14.579 5.989 ( 4.254 7.339 -0.546) 8.500 6.042 ( 10.119 8.033 -7.783) 15.083 6.595 ( -2.916 -5.187 0.495) 5.971 7.068 ( -3.175 -4.002 11.941) 12.988 7.154 ( 11.241 5.173 -9.961) 15.886 7.353 ( 9.912 -5.211 -3.190) 11.644 8.101 ( 8.525 6.651 1.782) 10.958 8.435 ( -0.750 -4.860 8.742) 10.030 8.675 ( -14.032 -1.236 2.038) 14.233 8.719 ( -4.785 -2.350 -6.202) 8.177 8.967 ( 2.782 -1.149 -6.591) 7.246 9.133 ( -1.299 -5.910 -7.113) 9.339 9.411 ( 5.247 -2.921 -1.074) 6.100 11.027 ( -7.265 10.724 0.804) 12.978 11.043 ( 3.772 5.029 7.802) 10.020 11.129 ( -8.812 9.516 1.576) 13.065 11.257 ( -4.693 -0.034 -4.670) 6.620 11.366 ( 0.880 -0.369 -7.974) 8.031 11.853 ( -3.590 0.609 1.180) 3.828 11.900 ( -1.665 4.236 -0.075) 4.552 12.026 ( 4.801 5.678 6.173) 9.664 12.187 ( -11.497 2.298 2.193) 11.927 12.500 ( 7.764 5.152 4.252) 10.243 12.813 ( -3.144 3.793 0.651) 4.969 12.887 ( -3.917 -2.038 1.910) 4.811 13.136 ( 0.933 -2.614 -1.473) 3.142 13.381 ( 7.069 0.524 -2.485) 7.512 13.523 ( -11.668 7.106 7.680) 15.673 13.615 ( 6.909 1.432 3.322) 7.799 14.094 ( 13.050 -1.711 -6.840) 14.833 14.517 ( 7.898 -2.462 4.837) 9.583 14.649 ( -4.333 -4.436 -9.388) 11.251 15.144 ( -0.220 -0.038 4.655) 4.660 15.249 ( 1.507 -0.045 -3.712) 4.006 15.501 ( 1.397 -2.080 -1.982) 3.195 15.684 ( -8.695 3.470 1.475) 9.477 15.893 ( -1.612 1.409 -2.658) 3.413 16.192 ( 2.365 3.554 9.959) 10.835 16.311 ( 3.731 -7.385 1.727) 8.452 16.751 ( 5.790 -9.968 3.311) 11.993 17.064 ( -0.711 -6.728 -4.815) 8.304 17.299 ( 4.719 -7.850 -1.546) 9.288 17.302 ( 2.093 -3.816 -0.894) 4.443 18.461 ( -13.068 12.443 4.935) 18.707 18.671 ( -8.832 7.209 1.575) 11.509 19.082 ( 3.074 10.395 -9.485) 14.404 19.918 ( -3.465 8.595 6.681) 11.424 21.522 ( -0.718 -6.415 0.708) 6.494 21.884 ( -0.331 -2.316 0.077) 2.341 22.165 ( -4.924 -1.092 -7.635) 9.151 22.208 ( -1.343 -0.395 -1.869) 2.336 22.480 ( 5.267 -3.177 3.931) 7.300 23.099 ( 12.598 -13.739 -2.301) 18.783 ======================= Grid point 164 (76/172) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -16.626 8.821 1.183) 18.858 3.078 ( -24.628 -11.193 4.505) 27.425 3.375 ( -17.342 -1.521 -4.456) 17.970 4.113 ( 1.693 3.496 -2.006) 4.372 4.268 ( -3.131 20.209 8.526) 22.156 5.055 ( 4.244 -7.343 8.768) 12.199 5.778 ( 4.900 10.366 -4.448) 12.298 5.875 ( 4.658 8.538 0.414) 9.735 6.036 ( 6.967 3.846 -11.081) 13.643 6.608 ( -5.068 -1.690 -0.446) 5.361 7.049 ( -10.663 -2.528 15.633) 19.091 7.261 ( 13.836 -2.542 -11.367) 18.086 7.608 ( 12.224 -6.420 -3.734) 14.303 8.155 ( 13.535 3.495 3.146) 14.328 8.400 ( -6.968 4.297 11.639) 14.230 8.574 ( -11.924 -2.773 2.917) 12.585 8.706 ( -4.704 -4.272 -6.181) 8.864 9.017 ( 2.960 -1.454 -6.791) 7.549 9.217 ( 0.294 -5.208 -7.517) 9.150 9.495 ( 2.709 -1.590 -1.993) 3.720 10.760 ( -6.907 8.247 1.292) 10.835 10.886 ( -6.349 6.224 2.726) 9.299 11.004 ( 0.875 3.596 1.660) 4.056 11.227 ( -2.538 -2.111 -5.845) 6.713 11.412 ( 2.407 -2.656 -3.240) 4.832 11.740 ( -1.034 5.464 -6.067) 8.230 11.813 ( 4.082 7.608 1.196) 8.717 12.013 ( -8.839 2.416 2.350) 9.460 12.113 ( 3.259 -4.338 8.063) 9.719 12.538 ( 8.217 3.078 5.577) 10.397 12.662 ( -5.453 6.422 -2.591) 8.814 12.881 ( -3.696 -1.469 6.856) 7.926 13.176 ( -1.181 -0.729 1.990) 2.426 13.250 ( -9.868 7.987 4.095) 13.339 13.432 ( 2.189 -0.641 -1.091) 2.528 13.739 ( 11.053 -1.797 1.250) 11.268 14.241 ( 5.701 -3.181 -5.313) 8.417 14.541 ( -4.185 -3.027 -4.085) 6.585 14.807 ( 8.672 -6.026 -5.611) 11.959 15.026 ( -3.464 6.379 -4.179) 8.376 15.324 ( -0.553 -2.418 6.869) 7.303 15.480 ( -5.907 1.746 -0.619) 6.191 15.593 ( 0.102 -0.433 3.126) 3.157 15.841 ( -2.867 1.645 1.939) 3.832 16.183 ( 3.807 2.862 10.110) 11.176 16.486 ( 4.839 -6.450 -3.507) 8.793 16.967 ( 1.909 -6.790 2.928) 7.637 17.127 ( -0.725 -3.657 -4.938) 6.187 17.359 ( 1.790 -0.466 -2.398) 3.029 17.452 ( 2.098 -4.963 -3.219) 6.277 18.142 ( -5.210 11.154 5.455) 13.465 18.449 ( -14.283 3.081 7.216) 16.296 19.049 ( 14.517 4.109 -11.195) 18.787 19.751 ( -7.789 3.975 4.286) 9.738 21.567 ( -2.831 -1.489 -2.831) 4.272 21.913 ( -0.630 -1.657 0.451) 1.828 22.083 ( -3.949 -0.396 -3.917) 5.576 22.256 ( 0.233 -2.340 -4.434) 5.019 22.598 ( 3.980 -3.214 7.799) 9.327 23.395 ( 8.855 -5.729 -2.525) 10.844 ======================= Grid point 171 (77/172) ======================= q-point: (-0.40 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -22.139 -0.000 12.880) 25.613 3.611 ( -21.165 -0.000 2.343) 21.295 3.623 ( 15.227 0.000 19.066) 24.401 4.577 ( -25.242 -0.000 -20.600) 32.581 5.056 ( -23.752 -0.000 -7.625) 24.946 5.166 ( 4.753 0.000 0.119) 4.754 5.954 ( 14.552 0.000 -6.575) 15.969 6.014 ( 12.923 0.000 6.657) 14.537 6.466 ( -12.883 -0.000 7.987) 15.158 6.516 ( 8.820 0.000 -8.444) 12.210 6.655 ( 10.585 0.000 -9.314) 14.099 7.183 ( -9.347 -0.000 17.258) 19.626 7.656 ( 21.208 0.000 -1.190) 21.241 7.751 ( -4.981 -0.000 3.898) 6.325 8.522 ( 0.102 0.000 4.107) 4.108 8.557 ( -8.712 -0.000 -2.725) 9.128 8.836 ( -9.306 -0.000 -7.077) 11.691 8.931 ( -0.267 -0.000 -3.264) 3.275 9.120 ( -2.893 -0.000 -8.859) 9.320 9.176 ( 5.702 0.000 -0.939) 5.779 11.053 ( 7.384 0.000 2.777) 7.889 11.255 ( -2.218 -0.000 -9.941) 10.185 11.449 ( 2.473 0.000 7.382) 7.785 11.470 ( 2.957 0.000 5.714) 6.434 11.687 ( -14.749 -0.000 -3.504) 15.160 11.755 ( -2.767 -0.000 2.494) 3.725 12.074 ( -13.497 -0.000 11.299) 17.603 12.207 ( -3.821 -0.000 1.962) 4.295 12.412 ( -4.715 -0.000 -1.592) 4.977 12.628 ( 2.042 0.000 -3.160) 3.762 12.750 ( 14.535 0.000 -5.610) 15.580 12.915 ( 2.948 0.000 6.240) 6.901 13.213 ( -11.926 -0.000 -1.318) 11.998 13.330 ( -0.692 -0.000 2.745) 2.830 13.521 ( 7.634 0.000 -0.391) 7.644 13.746 ( -4.556 -0.000 -3.142) 5.535 14.087 ( 13.793 0.000 -2.148) 13.959 14.272 ( 2.281 0.000 4.817) 5.330 14.753 ( -3.886 -0.000 4.224) 5.740 15.240 ( 4.360 0.000 -3.865) 5.827 15.263 ( 10.450 0.000 1.720) 10.590 15.368 ( -0.325 -0.000 -4.703) 4.715 15.565 ( 4.958 0.000 -1.101) 5.079 15.824 ( 1.032 0.000 -1.285) 1.649 16.046 ( -1.730 -0.000 3.190) 3.629 16.439 ( -0.474 -0.000 -1.085) 1.184 16.516 ( 4.734 0.000 10.942) 11.922 16.687 ( -2.602 -0.000 -5.290) 5.895 16.965 ( 0.666 0.000 1.835) 1.952 17.022 ( 4.903 0.000 -0.511) 4.930 18.715 ( -9.677 -0.000 7.914) 12.501 19.236 ( -14.432 -0.000 -14.051) 20.143 19.639 ( -13.604 -0.000 -3.084) 13.949 20.726 ( 13.338 0.000 19.962) 24.007 21.170 ( 4.934 0.000 4.254) 6.515 21.522 ( -0.144 -0.000 -3.971) 3.973 22.011 ( -0.634 -0.000 -3.328) 3.388 22.060 ( 2.817 0.000 -3.357) 4.382 22.410 ( 10.677 0.000 6.238) 12.366 22.538 ( -6.506 -0.000 -15.912) 17.191 ======================= Grid point 172 (78/172) ======================= q-point: (-0.30 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -29.593 1.307 11.867) 31.910 3.362 ( -31.379 -9.708 5.127) 33.244 3.847 ( 13.488 9.680 8.788) 18.784 4.216 ( -19.369 0.960 -14.456) 24.188 4.717 ( -28.611 -0.064 -5.871) 29.207 5.128 ( -5.161 4.992 1.809) 7.404 6.081 ( 11.490 5.178 -6.293) 14.086 6.144 ( 11.193 2.542 10.378) 15.474 6.399 ( -0.095 -2.704 4.624) 5.358 6.480 ( 7.920 10.126 -9.702) 16.106 6.866 ( 11.858 -6.833 -4.133) 14.296 7.136 ( -6.915 -2.680 14.911) 16.653 7.571 ( 6.380 10.413 -4.635) 13.062 8.038 ( 8.485 -11.896 2.325) 14.795 8.372 ( -3.290 6.402 1.304) 7.315 8.585 ( -8.357 -4.818 3.663) 10.318 8.708 ( -4.396 1.909 -9.321) 10.481 8.943 ( -1.532 -2.712 -3.806) 4.918 9.051 ( -0.717 2.366 -8.427) 8.782 9.274 ( 4.036 -4.011 -1.938) 6.011 11.120 ( 3.679 0.218 4.700) 5.973 11.195 ( -4.400 0.268 -11.054) 11.901 11.362 ( -8.569 6.668 -1.938) 11.029 11.470 ( -9.219 6.913 3.137) 11.943 11.521 ( 4.599 3.326 8.956) 10.603 11.753 ( -3.266 -4.146 2.167) 5.705 11.897 ( -13.693 2.165 6.084) 15.139 12.217 ( -2.489 -3.111 2.805) 4.873 12.323 ( -4.760 3.343 0.639) 5.851 12.616 ( 1.520 3.522 -2.775) 4.735 12.878 ( 10.465 2.981 -1.888) 11.044 12.935 ( -0.438 0.837 4.548) 4.645 13.109 ( -0.436 0.494 -2.963) 3.035 13.368 ( 5.256 -1.154 1.520) 5.592 13.524 ( -5.879 2.552 4.570) 7.871 13.727 ( -3.226 -3.895 -3.105) 5.935 14.177 ( 13.774 5.853 -2.961) 15.256 14.385 ( 9.623 -4.468 3.362) 11.129 14.728 ( -2.077 2.392 2.701) 4.163 15.159 ( 5.840 8.185 -0.837) 10.089 15.328 ( 3.949 1.188 -2.682) 4.919 15.406 ( 5.066 -1.359 -2.813) 5.952 15.755 ( -7.793 -4.162 2.433) 9.164 15.852 ( 7.108 -6.998 0.070) 9.974 16.051 ( 5.432 0.740 -0.656) 5.521 16.409 ( -2.721 4.410 4.814) 7.073 16.508 ( 2.983 0.124 4.281) 5.220 16.757 ( -1.032 -8.583 -2.944) 9.133 17.052 ( 3.490 -6.693 0.022) 7.549 17.118 ( 4.281 -4.010 -0.922) 5.938 18.560 ( -19.858 0.008 12.034) 23.220 19.003 ( -15.391 4.243 -12.736) 20.423 19.434 ( -5.743 7.729 -8.518) 12.856 20.596 ( 8.124 26.593 18.784) 33.557 21.250 ( 2.001 -5.198 2.786) 6.228 21.719 ( 1.194 -11.277 0.532) 11.352 22.009 ( -1.480 -2.469 -3.831) 4.792 22.172 ( -2.662 -7.122 -0.430) 7.615 22.429 ( 6.076 0.388 -11.760) 13.243 22.618 ( 9.644 -7.881 -1.826) 12.587 ======================= Grid point 173 (79/172) ======================= q-point: (-0.20 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -34.018 -4.385 8.901) 35.436 3.164 ( -35.077 -8.451 3.213) 36.224 3.455 ( -17.899 20.008 -14.451) 30.488 4.165 ( -5.503 -2.889 -1.106) 6.312 4.558 ( -7.394 -6.501 4.263) 10.729 4.922 ( -8.363 7.399 8.792) 14.212 6.001 ( -4.633 4.336 2.242) 6.730 6.238 ( 13.467 9.350 5.912) 17.428 6.324 ( 7.773 11.708 -5.664) 15.152 6.539 ( 7.486 -3.173 -8.057) 11.447 7.000 ( -4.311 -0.407 15.530) 16.123 7.253 ( 9.884 -7.717 -1.575) 12.639 7.491 ( 10.453 7.045 -10.757) 16.571 8.249 ( 2.823 -0.472 2.071) 3.533 8.322 ( 0.334 -5.764 3.411) 6.706 8.490 ( -11.062 -0.460 0.344) 11.077 8.680 ( 0.207 1.069 -3.658) 3.817 8.976 ( 1.301 -2.539 -4.581) 5.397 9.023 ( -0.320 -1.502 -7.924) 8.071 9.386 ( 2.366 -4.744 -2.773) 5.983 11.043 ( -12.562 5.923 -4.793) 14.692 11.125 ( -10.681 0.878 -8.120) 13.446 11.161 ( -4.373 3.419 9.714) 11.188 11.221 ( -2.366 9.272 2.404) 9.866 11.485 ( 4.385 6.415 1.311) 7.881 11.768 ( -11.508 -4.185 -0.308) 12.250 11.825 ( 0.405 -3.439 4.459) 5.646 12.171 ( -3.619 3.975 2.391) 5.883 12.236 ( 2.606 6.051 2.454) 7.031 12.568 ( -2.391 0.328 3.875) 4.565 12.878 ( 1.113 5.046 1.408) 5.356 12.909 ( 4.480 3.863 0.740) 5.962 13.129 ( 1.285 -0.431 -2.250) 2.627 13.381 ( -11.600 2.012 7.484) 13.951 13.495 ( 9.639 -1.556 0.284) 9.768 13.721 ( -1.267 -0.122 -2.720) 3.003 14.255 ( 13.276 3.630 -2.374) 13.966 14.591 ( 8.418 -0.894 4.872) 9.767 14.624 ( 4.512 3.449 -8.319) 10.073 15.163 ( 3.064 0.151 4.816) 5.710 15.319 ( 3.898 4.098 -3.720) 6.770 15.494 ( 5.070 -2.463 -2.466) 6.152 15.603 ( -13.324 3.351 5.263) 14.712 15.959 ( 4.322 3.269 -5.964) 8.059 16.218 ( 7.338 -8.014 -3.592) 11.444 16.297 ( -2.868 4.069 16.576) 17.307 16.646 ( 4.797 -8.888 1.509) 10.212 16.900 ( -1.642 -9.418 -4.761) 10.680 17.231 ( 4.275 -5.184 -1.662) 6.921 17.237 ( 3.032 -7.285 -1.391) 8.012 18.313 ( -24.913 0.403 13.134) 28.166 18.710 ( -13.810 7.300 -9.160) 18.109 19.265 ( 3.665 7.475 -10.837) 13.666 20.208 ( 0.780 24.852 15.209) 29.147 21.385 ( -0.738 -7.774 1.160) 7.894 21.837 ( -0.010 -3.299 0.098) 3.301 22.027 ( -7.291 -2.901 -9.217) 12.105 22.115 ( -6.533 -2.548 -2.578) 7.471 22.592 ( 12.938 0.099 1.494) 13.024 22.998 ( 15.559 -16.956 -2.606) 23.160 ======================= Grid point 174 (80/172) ======================= q-point: (-0.10 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -28.170 -14.005 3.773) 31.685 2.797 ( -28.789 7.126 1.067) 29.677 2.993 ( -21.113 -0.309 -15.835) 26.393 4.197 ( -4.343 -7.666 0.482) 8.824 4.472 ( -6.400 10.212 4.604) 12.901 4.922 ( 3.070 -8.164 17.084) 19.182 5.863 ( -7.268 4.195 3.147) 8.962 6.090 ( 1.371 11.760 -5.399) 13.012 6.260 ( 9.481 10.495 -0.429) 14.150 6.624 ( 6.986 2.070 -10.175) 12.514 6.932 ( -8.664 1.023 15.980) 18.206 7.424 ( 13.589 2.594 -7.377) 15.678 7.620 ( 11.124 -6.348 -6.212) 14.235 8.244 ( -8.324 -1.729 3.673) 9.261 8.389 ( -4.960 -3.782 1.817) 6.497 8.451 ( 3.502 1.648 8.819) 9.631 8.625 ( -1.044 1.828 -5.971) 6.331 9.018 ( 3.046 -0.762 -6.986) 7.659 9.100 ( 1.223 -7.390 -6.236) 9.747 9.473 ( 1.109 -3.252 -3.765) 5.098 10.760 ( -13.882 6.800 -0.305) 15.461 10.890 ( -11.423 5.694 2.471) 13.000 11.036 ( -6.328 -1.477 -8.089) 10.376 11.212 ( 5.541 3.309 6.200) 8.949 11.452 ( 4.016 2.621 -0.073) 4.796 11.739 ( -5.051 -3.747 -5.297) 8.223 11.856 ( -3.835 -0.084 0.529) 3.872 12.048 ( -1.879 6.556 -0.286) 6.826 12.183 ( 5.899 5.000 9.787) 12.473 12.586 ( -2.882 -5.082 6.205) 8.523 12.704 ( -10.258 8.599 2.058) 13.542 12.922 ( 10.379 5.451 2.438) 11.974 13.120 ( -8.309 -2.550 1.429) 8.808 13.248 ( -3.026 3.939 4.523) 6.718 13.516 ( 2.332 5.198 -3.956) 6.936 13.812 ( 8.049 -4.019 1.478) 9.117 14.302 ( 6.633 3.577 -0.297) 7.542 14.549 ( 7.928 3.958 -7.594) 11.670 14.814 ( 9.497 -4.902 -5.526) 12.032 15.104 ( -4.053 6.584 -0.463) 7.745 15.302 ( -2.740 0.779 5.463) 6.161 15.439 ( -4.741 1.570 1.961) 5.366 15.598 ( 5.891 -2.241 -0.271) 6.309 15.901 ( 0.945 5.088 -1.267) 5.328 16.265 ( 0.876 1.113 14.724) 14.792 16.417 ( 4.875 -7.054 -3.591) 9.296 16.851 ( 0.074 -7.694 0.537) 7.713 17.018 ( -0.137 -7.329 -5.800) 9.347 17.323 ( 0.128 -4.062 -0.004) 4.064 17.404 ( 4.845 -5.178 -5.086) 8.727 18.051 ( -22.535 -0.313 11.778) 25.429 18.441 ( -9.140 5.991 -3.374) 11.437 19.239 ( 10.584 3.126 -10.156) 14.998 19.836 ( -7.086 15.452 10.651) 20.060 21.469 ( -3.796 -4.508 -3.008) 6.617 21.876 ( -0.662 -2.265 -0.228) 2.370 21.948 ( -8.295 -3.803 -5.229) 10.517 22.168 ( -1.288 -5.587 -2.849) 6.403 22.697 ( 9.479 2.680 4.420) 10.796 23.409 ( 14.254 -8.517 -1.550) 16.677 ======================= Grid point 182 (81/172) ======================= q-point: (-0.30 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -31.614 -0.000 18.184) 36.471 2.860 ( -36.161 -0.000 4.435) 36.432 3.822 ( -34.243 -0.000 -22.174) 40.795 4.243 ( 23.884 0.000 11.674) 26.584 4.319 ( -34.380 -0.000 -8.034) 35.307 5.059 ( -14.945 -0.000 2.267) 15.116 6.122 ( -9.619 -0.000 14.053) 17.029 6.355 ( 20.211 0.000 -12.905) 23.980 6.491 ( 17.373 0.000 6.104) 18.414 6.720 ( 9.309 0.000 -6.950) 11.617 6.888 ( 10.675 0.000 -7.459) 13.023 7.052 ( -6.365 -0.000 19.147) 20.177 7.639 ( -4.716 -0.000 0.597) 4.753 8.121 ( 18.867 0.000 -3.080) 19.117 8.404 ( -11.572 -0.000 4.738) 12.505 8.422 ( -1.909 -0.000 0.169) 1.916 8.708 ( 2.132 0.000 -8.757) 9.013 8.879 ( -1.935 -0.000 -5.703) 6.022 9.053 ( -0.335 -0.000 -9.405) 9.411 9.263 ( 1.599 0.000 -1.163) 1.977 11.113 ( -6.828 -0.000 -11.169) 13.090 11.121 ( -5.439 -0.000 -1.510) 5.644 11.307 ( -9.684 -0.000 -0.200) 9.686 11.528 ( -7.028 -0.000 4.945) 8.594 11.553 ( -1.320 -0.000 2.744) 3.045 11.572 ( -9.342 -0.000 14.719) 17.433 11.914 ( -0.688 -0.000 4.520) 4.572 12.058 ( -9.007 -0.000 -1.573) 9.143 12.324 ( -1.049 -0.000 2.465) 2.679 12.723 ( 7.281 0.000 -7.919) 10.758 12.879 ( -3.715 -0.000 3.635) 5.198 13.056 ( 2.718 0.000 6.757) 7.283 13.094 ( 3.190 0.000 -0.446) 3.221 13.448 ( 9.355 0.000 1.652) 9.500 13.567 ( -6.905 -0.000 -2.374) 7.302 13.575 ( 1.454 0.000 -1.706) 2.241 14.408 ( 10.021 0.000 3.372) 10.573 14.435 ( 14.669 0.000 -4.813) 15.439 14.770 ( 2.407 0.000 8.972) 9.289 15.315 ( 3.415 0.000 -3.253) 4.716 15.335 ( 1.573 0.000 -3.515) 3.851 15.570 ( 12.286 0.000 0.126) 12.287 15.612 ( -3.750 -0.000 0.129) 3.752 15.838 ( 3.558 0.000 6.653) 7.545 16.147 ( 8.238 0.000 -2.223) 8.532 16.403 ( -1.246 -0.000 -5.371) 5.513 16.597 ( -1.384 -0.000 13.015) 13.089 16.605 ( -3.757 -0.000 -5.423) 6.597 17.003 ( 2.402 0.000 0.455) 2.445 17.144 ( 5.199 0.000 -2.625) 5.824 18.310 ( -26.424 -0.000 14.137) 29.968 18.821 ( -17.437 -0.000 -11.864) 21.091 19.433 ( -2.763 -0.000 -10.810) 11.157 21.024 ( 6.804 0.000 19.397) 20.556 21.355 ( 8.257 0.000 17.510) 19.359 21.513 ( 0.496 0.000 -4.470) 4.498 21.977 ( -1.605 -0.000 -1.196) 2.002 22.114 ( 2.653 0.000 -2.513) 3.655 22.335 ( -4.762 -0.000 -30.996) 31.360 22.712 ( 12.893 0.000 5.978) 14.211 ======================= Grid point 183 (82/172) ======================= q-point: (-0.20 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -37.071 3.978 14.348) 39.950 2.591 ( -37.229 -9.393 6.275) 38.905 3.397 ( -30.548 -0.960 -18.541) 35.748 3.840 ( -30.019 4.642 -5.866) 30.937 4.569 ( 16.240 -4.283 4.827) 17.475 4.836 ( -20.785 0.418 5.742) 21.567 6.008 ( -7.735 3.290 11.553) 14.288 6.528 ( 5.840 4.376 -4.457) 8.552 6.591 ( 13.945 11.324 0.870) 17.984 6.686 ( 15.253 5.423 -5.064) 16.962 7.021 ( 1.185 1.843 11.505) 11.711 7.180 ( 9.784 -12.774 -2.109) 16.228 7.605 ( -0.230 -0.631 -3.295) 3.363 8.230 ( -3.825 3.292 -2.360) 5.571 8.315 ( 3.900 0.497 2.889) 4.878 8.432 ( 1.865 -1.249 2.511) 3.368 8.722 ( 3.822 1.047 -5.018) 6.394 8.895 ( 0.625 -3.353 -8.112) 8.800 9.039 ( 1.900 0.562 -7.780) 8.028 9.306 ( -0.276 -4.401 -3.073) 5.375 10.947 ( -16.272 3.593 -5.096) 17.426 10.997 ( -9.356 0.321 -10.320) 13.933 11.179 ( -12.202 5.859 9.004) 16.257 11.351 ( 0.160 5.360 1.339) 5.527 11.494 ( -12.722 -4.615 3.850) 14.071 11.605 ( -0.754 0.111 5.817) 5.867 11.862 ( 3.031 2.672 1.539) 4.324 12.069 ( -7.270 -6.891 1.692) 10.159 12.309 ( 0.781 1.879 3.070) 3.683 12.676 ( 2.254 8.955 -0.904) 9.278 12.881 ( -3.226 -0.515 1.405) 3.556 13.021 ( -9.924 -1.407 7.064) 12.262 13.129 ( 8.174 3.894 -0.028) 9.054 13.427 ( 1.475 6.656 -0.271) 6.823 13.606 ( 13.833 -0.698 -0.641) 13.865 13.661 ( 2.301 -3.223 -2.265) 4.563 14.497 ( 14.585 4.731 2.541) 15.543 14.637 ( 10.522 -4.346 -1.903) 11.542 14.782 ( 4.102 4.336 4.084) 7.232 15.247 ( 1.609 5.675 -0.132) 5.900 15.392 ( 0.077 -0.201 -2.223) 2.234 15.520 ( -3.680 2.602 2.266) 5.045 15.616 ( 6.802 5.820 0.947) 9.002 16.012 ( 5.741 -4.812 -1.827) 7.710 16.210 ( 7.131 0.256 -1.961) 7.400 16.349 ( -2.967 3.610 4.488) 6.479 16.564 ( 0.144 -4.862 3.872) 6.218 16.694 ( -3.347 -9.667 -2.557) 10.545 17.124 ( 2.924 -8.325 -1.036) 8.884 17.208 ( 3.212 -2.269 -3.155) 5.042 18.024 ( -27.225 -0.714 14.279) 30.751 18.584 ( -17.122 1.909 -10.378) 20.113 19.371 ( 1.589 3.159 -11.025) 11.578 20.816 ( 4.923 34.981 21.563) 41.387 21.274 ( -0.982 -2.032 0.186) 2.264 21.732 ( -2.684 -7.328 3.023) 8.369 21.939 ( -3.840 3.193 -9.379) 10.626 22.007 ( -5.140 -0.784 -5.333) 7.448 22.633 ( 13.948 -20.452 -11.292) 27.210 22.899 ( 12.629 -7.305 4.439) 15.250 ======================= Grid point 184 (83/172) ======================= q-point: (-0.10 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -33.756 -9.958 9.458) 36.443 2.290 ( -39.699 -8.431 0.764) 40.591 3.028 ( -10.941 12.860 -20.522) 26.575 3.648 ( -29.172 -23.077 5.703) 37.631 4.538 ( -12.727 4.614 -0.062) 13.538 4.862 ( 4.094 -7.482 10.772) 13.739 5.872 ( -6.900 4.792 10.652) 13.566 6.306 ( -2.515 13.232 -1.772) 13.585 6.560 ( 6.132 13.741 9.213) 17.643 6.766 ( 13.964 3.466 -15.583) 21.209 6.997 ( 4.275 6.276 6.765) 10.170 7.507 ( 10.990 -9.175 -0.494) 14.325 7.638 ( 1.325 -2.250 -5.256) 5.869 8.112 ( -3.735 1.978 -4.954) 6.512 8.323 ( -2.048 -0.327 3.243) 3.850 8.489 ( -1.361 0.410 8.511) 8.629 8.716 ( 5.506 3.146 -5.039) 8.100 8.990 ( 3.522 -5.569 -6.611) 9.334 9.043 ( 3.030 0.265 -6.244) 6.946 9.395 ( 0.604 -5.610 -5.832) 8.115 10.687 ( -15.054 4.200 -2.135) 15.774 10.839 ( -13.976 4.673 -2.580) 14.961 10.909 ( -10.349 0.764 -0.989) 10.425 11.349 ( 4.200 2.146 5.655) 7.364 11.487 ( -4.331 -5.995 -0.836) 7.443 11.577 ( -2.382 0.417 -1.855) 3.047 11.857 ( -1.584 1.983 2.970) 3.907 12.069 ( -4.547 0.040 -0.143) 4.549 12.309 ( 1.685 -0.052 4.226) 4.550 12.536 ( -2.109 5.731 5.949) 8.525 12.702 ( -15.214 7.077 6.664) 18.054 12.964 ( -7.612 -2.471 0.946) 8.059 13.191 ( 15.108 5.214 1.547) 16.057 13.358 ( 4.545 5.863 -0.020) 7.419 13.611 ( 2.185 5.105 -7.785) 9.562 13.856 ( 12.055 -2.938 6.752) 14.126 14.511 ( 7.960 9.164 6.403) 13.723 14.758 ( 9.216 6.322 -5.168) 12.313 14.830 ( 9.841 -4.427 -6.905) 12.811 15.135 ( -7.206 5.270 0.301) 8.932 15.289 ( -6.382 2.344 5.862) 8.977 15.478 ( 3.621 3.189 -0.568) 4.859 15.665 ( 8.821 0.704 -0.976) 8.903 15.999 ( 0.037 5.332 -4.409) 6.919 16.294 ( -1.995 0.385 15.053) 15.190 16.347 ( 4.130 -6.187 -0.678) 7.470 16.709 ( -1.235 -7.906 -0.694) 8.032 16.853 ( 1.010 -10.921 -5.842) 12.427 17.243 ( -0.957 -4.340 -0.755) 4.509 17.342 ( 5.068 -7.528 -5.090) 10.405 17.776 ( -23.052 -1.875 12.481) 26.281 18.356 ( -13.644 1.059 -7.278) 15.500 19.359 ( 6.634 1.031 -10.091) 12.121 20.178 ( -10.808 33.165 15.110) 38.013 21.330 ( -3.426 -5.478 -2.813) 7.047 21.723 ( -9.665 -5.108 -3.857) 11.592 21.880 ( 0.577 -0.326 -1.850) 1.965 22.051 ( -0.896 -5.501 -2.125) 5.965 22.872 ( 10.612 2.677 1.565) 11.056 23.383 ( 18.161 -16.791 -1.767) 24.797 ======================= Grid point 193 (84/172) ======================= q-point: (-0.20 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -39.276 -0.000 7.704) 40.025 2.028 ( -35.054 -0.000 20.506) 40.611 2.785 ( -50.893 -0.000 -6.125) 51.261 3.645 ( -18.196 -0.000 -17.641) 25.344 4.536 ( -27.566 -0.000 6.369) 28.292 4.725 ( 14.192 0.000 -3.442) 14.604 5.951 ( -10.417 -0.000 14.028) 17.473 6.641 ( 1.003 0.000 1.191) 1.557 6.885 ( 11.867 0.000 -6.819) 13.686 6.922 ( 17.201 0.000 3.888) 17.635 7.100 ( 7.162 0.000 2.605) 7.621 7.128 ( 11.820 0.000 0.844) 11.850 7.563 ( -1.974 -0.000 -2.922) 3.526 8.196 ( -4.640 -0.000 1.120) 4.773 8.409 ( 3.886 0.000 2.424) 4.580 8.471 ( 3.931 0.000 4.177) 5.736 8.778 ( 4.887 0.000 -6.456) 8.097 8.890 ( 7.657 0.000 -12.392) 14.566 9.048 ( 2.440 0.000 -8.522) 8.864 9.246 ( -1.309 -0.000 -3.645) 3.873 10.789 ( -16.159 -0.000 -8.203) 18.122 10.858 ( -12.060 -0.000 -5.680) 13.330 11.069 ( -19.449 -0.000 8.205) 21.109 11.316 ( -8.133 -0.000 -3.819) 8.985 11.395 ( -0.214 -0.000 2.395) 2.404 11.614 ( -1.847 -0.000 11.933) 12.076 11.833 ( -9.019 -0.000 -2.162) 9.275 12.006 ( 6.613 0.000 1.665) 6.819 12.339 ( 0.563 0.000 2.659) 2.718 12.740 ( -11.883 -0.000 6.952) 13.768 12.863 ( -12.945 -0.000 7.707) 15.065 12.874 ( 5.167 0.000 -6.652) 8.423 13.283 ( 11.347 0.000 0.439) 11.356 13.519 ( 4.892 0.000 -2.694) 5.585 13.705 ( 7.867 0.000 -2.120) 8.147 13.797 ( 18.919 0.000 3.032) 19.161 14.714 ( 11.359 0.000 -5.015) 12.417 14.720 ( 14.276 0.000 4.719) 15.035 14.854 ( 0.920 0.000 9.785) 9.828 15.318 ( -5.332 -0.000 2.900) 6.070 15.390 ( 4.578 0.000 -3.878) 6.000 15.506 ( -1.096 -0.000 -0.612) 1.256 15.816 ( 7.909 0.000 1.246) 8.007 16.008 ( 7.946 0.000 2.468) 8.320 16.330 ( 7.172 0.000 -2.661) 7.650 16.379 ( 2.266 0.000 -10.194) 10.443 16.459 ( -7.690 -0.000 -3.250) 8.348 16.519 ( -9.526 -0.000 13.484) 16.509 17.075 ( 3.693 0.000 -0.727) 3.763 17.203 ( 0.052 0.000 -3.913) 3.914 17.740 ( -23.817 -0.000 13.898) 27.575 18.381 ( -17.385 -0.000 -9.954) 20.033 19.391 ( 1.416 0.000 -10.294) 10.391 21.168 ( 2.147 0.000 6.580) 6.921 21.516 ( 1.060 0.000 -4.349) 4.477 21.592 ( -0.117 -0.000 17.231) 17.232 21.930 ( -2.340 -0.000 -0.634) 2.424 22.164 ( 2.365 0.000 -2.489) 3.433 22.169 ( 4.627 0.000 -21.914) 22.398 23.009 ( 10.880 0.000 5.315) 12.109 ======================= Grid point 194 (85/172) ======================= q-point: (-0.10 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -39.000 3.831 13.878) 41.573 1.696 ( -40.971 -6.252 5.899) 41.863 2.539 ( -39.259 -29.706 10.875) 50.418 3.342 ( -8.810 10.463 -18.423) 22.946 4.268 ( -27.093 -5.479 0.144) 27.642 4.872 ( 8.358 -1.215 -2.793) 8.895 5.840 ( -10.832 0.741 13.000) 16.938 6.486 ( -5.912 11.559 11.993) 17.674 6.932 ( 8.953 15.822 0.440) 18.185 6.989 ( 15.944 4.111 -13.639) 21.380 7.189 ( 11.228 2.675 0.565) 11.557 7.429 ( 11.201 -12.282 2.238) 16.772 7.546 ( -4.684 -1.848 -2.535) 5.637 8.167 ( 3.417 1.634 -1.692) 4.148 8.376 ( -1.777 6.728 0.529) 6.978 8.470 ( -4.724 0.620 5.662) 7.399 8.797 ( 3.612 2.114 -4.655) 6.260 8.992 ( 8.523 -1.772 -7.154) 11.268 9.071 ( 3.175 0.105 -7.082) 7.762 9.297 ( 3.012 -5.562 -8.366) 10.488 10.565 ( -14.670 2.380 -5.237) 15.757 10.722 ( -11.203 0.132 -6.362) 12.884 10.804 ( -17.250 3.388 7.248) 19.015 11.250 ( -9.504 -3.651 -4.529) 11.143 11.442 ( 4.904 -2.616 2.006) 5.909 11.570 ( -3.313 1.200 4.127) 5.426 11.793 ( -8.632 -3.427 1.329) 9.382 12.069 ( 4.900 1.896 -1.133) 5.375 12.334 ( 0.597 1.301 2.575) 2.946 12.534 ( -17.037 3.968 12.711) 21.623 12.724 ( -4.064 5.104 4.534) 7.945 12.889 ( -2.051 0.514 -3.956) 4.485 13.404 ( 11.004 2.553 2.582) 11.588 13.540 ( 9.363 5.426 -2.608) 11.131 13.738 ( 5.202 4.631 -7.354) 10.128 14.034 ( 19.320 0.939 9.739) 21.656 14.756 ( 1.706 7.678 3.169) 8.480 14.856 ( 0.472 1.212 6.295) 6.428 14.907 ( 14.117 -3.124 -5.757) 15.562 15.214 ( -3.857 12.562 -0.845) 13.168 15.259 ( -3.996 2.303 1.971) 5.015 15.579 ( 6.906 0.150 -1.659) 7.104 15.819 ( 6.358 5.322 0.570) 8.311 16.067 ( -0.037 4.306 -4.880) 6.508 16.284 ( -4.397 1.420 3.797) 5.980 16.310 ( -1.843 -0.675 9.805) 9.999 16.539 ( -2.032 -9.190 -1.765) 9.576 16.646 ( 2.499 -14.113 -4.763) 15.103 17.159 ( -0.771 -3.147 -0.899) 3.363 17.247 ( 3.282 -7.991 -4.324) 9.660 17.536 ( -16.903 -0.679 10.911) 20.130 18.174 ( -15.302 -0.671 -8.907) 17.718 19.403 ( 3.810 -0.583 -9.094) 9.877 20.777 ( -23.515 53.649 -2.096) 58.614 21.217 ( 0.075 -3.490 1.185) 3.686 21.536 ( -7.674 -3.116 -3.002) 8.809 21.911 ( 1.268 3.101 2.371) 4.104 21.961 ( 0.998 -3.304 -0.976) 3.587 22.973 ( 16.270 -15.234 -2.665) 22.447 23.222 ( 16.128 -20.437 4.641) 26.445 ======================= Grid point 204 (86/172) ======================= q-point: (-0.10 -0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -47.927 -0.000 0.820) 47.934 1.139 ( -37.990 -0.000 14.617) 40.705 1.732 ( -37.298 -0.000 42.686) 56.685 3.356 ( -1.963 -0.000 -23.419) 23.501 3.878 ( -26.703 -0.000 -3.730) 26.962 4.948 ( 6.687 0.000 -8.597) 10.892 5.732 ( -11.230 -0.000 13.902) 17.872 6.536 ( -8.872 -0.000 15.407) 17.779 7.137 ( 9.145 0.000 -13.455) 16.269 7.247 ( 10.376 0.000 0.495) 10.388 7.342 ( 14.213 0.000 -6.298) 15.546 7.447 ( 11.914 0.000 3.920) 12.542 7.477 ( -3.901 -0.000 -0.195) 3.905 8.234 ( 6.168 0.000 -1.858) 6.441 8.351 ( -8.075 -0.000 3.804) 8.926 8.471 ( -9.516 -0.000 -5.938) 11.217 8.857 ( 3.391 0.000 -4.978) 6.024 9.052 ( 5.729 0.000 -2.470) 6.239 9.100 ( 4.205 0.000 -8.163) 9.183 9.293 ( 8.640 0.000 -12.586) 15.266 10.410 ( -13.919 -0.000 -6.805) 15.494 10.596 ( -8.193 -0.000 -4.487) 9.341 10.647 ( -15.693 -0.000 7.919) 17.578 11.113 ( -8.432 -0.000 -6.349) 10.554 11.441 ( 2.228 0.000 3.963) 4.546 11.564 ( -4.186 -0.000 -0.124) 4.188 11.658 ( -5.382 -0.000 -1.080) 5.489 12.154 ( 4.082 0.000 -2.228) 4.651 12.357 ( 0.301 0.000 2.198) 2.219 12.407 ( -14.558 -0.000 14.821) 20.775 12.715 ( -3.689 -0.000 3.990) 5.434 12.889 ( -0.204 -0.000 -4.665) 4.669 13.582 ( 12.544 0.000 3.108) 12.923 13.694 ( 8.393 0.000 -3.237) 8.996 13.817 ( 2.105 0.000 -10.341) 10.553 14.324 ( 23.919 0.000 7.692) 25.126 14.741 ( -14.105 -0.000 -6.320) 15.456 14.879 ( 1.119 0.000 -0.381) 1.182 15.016 ( 6.483 0.000 5.956) 8.804 15.223 ( 1.283 0.000 0.132) 1.290 15.536 ( 2.945 0.000 -2.874) 4.115 15.594 ( 14.569 0.000 2.411) 14.767 15.901 ( 0.185 0.000 -1.146) 1.161 16.159 ( 1.133 0.000 -0.990) 1.505 16.249 ( -9.128 -0.000 -1.441) 9.241 16.256 ( -13.259 -0.000 16.632) 21.270 16.404 ( -0.760 -0.000 -3.114) 3.205 16.489 ( 10.316 0.000 -3.717) 10.965 17.136 ( -2.699 -0.000 -1.245) 2.973 17.165 ( 4.614 0.000 0.470) 4.638 17.402 ( -9.576 -0.000 6.749) 11.715 17.970 ( -15.244 -0.000 -10.698) 18.623 19.421 ( 3.673 0.000 -7.404) 8.265 20.847 ( -51.901 -0.000 -60.132) 79.433 21.267 ( -4.663 -0.000 0.888) 4.747 21.533 ( 1.542 0.000 -3.488) 3.814 21.903 ( -0.545 -0.000 0.806) 0.973 22.201 ( 1.509 0.000 -3.020) 3.376 22.770 ( 42.352 0.000 44.178) 61.200 23.227 ( 6.200 0.000 5.362) 8.197 ======================= Grid point 205 (87/172) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -7.307 -0.000 29.842) 30.723 1.540 ( 31.910 0.000 32.095) 45.259 2.471 ( 2.897 0.000 16.352) 16.606 2.933 ( 0.063 0.000 9.652) 9.652 2.948 ( -19.421 -0.000 -24.755) 31.464 4.597 ( 4.290 0.000 -27.506) 27.839 5.898 ( -8.926 -0.000 16.561) 18.813 6.566 ( 2.892 0.000 -6.715) 7.311 7.076 ( -6.946 -0.000 11.374) 13.328 7.387 ( -3.301 -0.000 4.239) 5.372 7.452 ( 3.164 0.000 0.713) 3.243 7.497 ( -0.187 -0.000 1.064) 1.080 7.622 ( -5.053 -0.000 -2.011) 5.438 7.712 ( -7.996 -0.000 -5.371) 9.632 8.258 ( -12.232 -0.000 5.401) 13.371 8.352 ( 13.865 0.000 -0.255) 13.868 8.859 ( -3.028 -0.000 -0.856) 3.147 8.905 ( -3.695 -0.000 -9.614) 10.300 9.003 ( 7.588 0.000 -6.838) 10.214 9.213 ( 4.039 0.000 -9.167) 10.018 10.185 ( 1.053 0.000 2.853) 3.042 10.480 ( -3.246 -0.000 -4.351) 5.428 10.555 ( -4.465 -0.000 1.816) 4.820 10.727 ( 9.215 0.000 -12.950) 15.894 11.390 ( -5.555 -0.000 5.557) 7.857 11.566 ( 0.687 0.000 -1.694) 1.828 11.686 ( 3.735 0.000 9.088) 9.826 12.028 ( -2.261 -0.000 -5.587) 6.027 12.450 ( 0.663 0.000 5.469) 5.509 12.511 ( -5.057 -0.000 8.990) 10.314 12.776 ( -2.575 -0.000 -4.338) 5.045 12.825 ( 4.953 0.000 -4.622) 6.774 13.286 ( -20.476 -0.000 10.741) 23.122 13.744 ( 4.214 0.000 -5.147) 6.652 13.971 ( 9.040 0.000 7.168) 11.537 14.116 ( -15.155 -0.000 1.398) 15.219 14.803 ( -10.494 -0.000 1.571) 10.611 14.979 ( 18.965 0.000 -2.498) 19.128 15.122 ( -3.307 -0.000 3.660) 4.933 15.266 ( 3.646 0.000 -2.416) 4.374 15.582 ( 7.002 0.000 -1.380) 7.137 15.614 ( -6.288 -0.000 -3.760) 7.327 15.994 ( -2.208 -0.000 1.416) 2.623 16.004 ( -10.869 -0.000 1.911) 11.036 16.113 ( 5.150 0.000 1.042) 5.254 16.179 ( -6.932 -0.000 -0.415) 6.944 16.618 ( 3.573 0.000 13.078) 13.557 16.813 ( 8.235 0.000 1.499) 8.370 16.954 ( -8.471 -0.000 -4.825) 9.749 17.348 ( -1.204 -0.000 -16.726) 16.769 17.358 ( -3.506 -0.000 2.758) 4.461 17.490 ( 20.621 0.000 -3.817) 20.971 19.104 ( -29.841 -0.000 9.202) 31.228 19.425 ( 11.525 0.000 -5.230) 12.656 21.302 ( -3.107 -0.000 4.283) 5.291 21.496 ( 3.032 0.000 -3.892) 4.934 21.947 ( 0.300 0.000 2.748) 2.764 22.115 ( -0.101 -0.000 -4.656) 4.657 23.469 ( -1.766 -0.000 8.252) 8.439 23.813 ( 10.195 0.000 -6.515) 12.099 ======================= Grid point 206 (88/172) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 7.123 -10.171 21.591) 24.907 2.124 ( 30.563 -14.163 21.103) 39.749 2.690 ( 16.770 -8.558 9.555) 21.114 2.857 ( -1.602 -11.165 -21.096) 23.922 3.030 ( 3.778 -6.607 10.932) 13.320 4.615 ( 3.379 -1.201 -23.054) 23.331 5.807 ( -7.347 2.541 13.470) 15.552 6.481 ( -1.796 12.742 4.338) 13.579 6.865 ( -3.020 13.499 1.857) 13.957 7.317 ( -7.900 6.364 -0.777) 10.174 7.392 ( -5.101 0.676 4.986) 7.165 7.475 ( -5.042 -9.407 5.217) 11.880 7.596 ( 10.256 6.718 -3.648) 12.792 7.755 ( 4.832 1.253 -2.441) 5.556 8.177 ( -10.249 -5.933 3.247) 12.279 8.510 ( 9.440 -1.801 3.895) 10.370 8.806 ( -3.823 0.913 -3.016) 4.955 8.864 ( 0.178 -0.721 -8.952) 8.983 9.060 ( 1.171 -0.258 -5.485) 5.614 9.283 ( 3.272 -5.720 -8.759) 10.961 10.271 ( 4.844 -3.834 3.569) 7.135 10.419 ( -4.337 -1.621 -5.168) 6.939 10.597 ( 2.435 -4.177 -3.821) 6.163 10.871 ( 18.405 1.284 -6.965) 19.721 11.375 ( 0.982 0.026 6.098) 6.176 11.577 ( 2.262 0.861 0.316) 2.441 11.774 ( 3.856 -2.954 5.450) 7.300 11.984 ( -2.653 -0.458 -5.212) 5.866 12.444 ( -0.995 2.965 5.645) 6.454 12.486 ( 0.275 0.482 9.208) 9.225 12.631 ( -3.327 5.774 -2.144) 7.000 12.950 ( -5.358 -2.463 -4.430) 7.376 13.062 ( -5.245 1.738 14.757) 15.758 13.730 ( 0.970 4.179 -4.797) 6.435 13.890 ( -9.639 6.589 3.052) 12.068 14.059 ( -0.465 -0.333 6.994) 7.018 14.675 ( -7.372 2.682 -2.394) 8.202 15.036 ( -12.286 -0.026 1.801) 12.417 15.128 ( 8.646 5.067 -0.133) 10.023 15.298 ( 5.112 -2.204 0.728) 5.615 15.539 ( -0.726 2.456 -5.205) 5.801 15.635 ( 6.243 2.569 0.017) 6.751 15.767 ( -11.845 6.493 2.362) 13.713 15.959 ( -2.928 3.098 2.249) 4.820 16.129 ( -4.233 -3.023 1.973) 5.563 16.253 ( 3.366 -6.617 0.781) 7.465 16.762 ( 2.644 -7.686 9.496) 12.500 16.857 ( -6.936 -1.647 -4.299) 8.325 16.930 ( 3.709 -5.666 3.061) 7.432 17.257 ( 3.055 3.952 -4.412) 6.665 17.472 ( 2.900 -6.260 -9.985) 12.137 17.774 ( 23.266 -2.607 -10.146) 25.515 18.886 ( -13.219 -1.230 12.052) 17.930 19.575 ( 12.622 -1.360 -1.997) 12.851 21.313 ( -3.202 -4.305 3.822) 6.588 21.563 ( 3.599 -4.015 -2.804) 6.077 21.972 ( 0.475 -1.876 1.893) 2.707 22.088 ( 0.042 1.490 -3.244) 3.570 23.403 ( -5.584 3.397 7.471) 9.926 23.809 ( -2.267 4.281 -8.998) 10.219 ======================= Grid point 207 (89/172) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 14.806 -16.331 8.939) 23.787 2.630 ( 12.855 -13.310 -0.008) 18.504 2.920 ( 2.512 -13.067 -12.906) 18.537 3.261 ( 11.787 -10.362 -8.086) 17.654 3.495 ( 35.029 -24.370 28.125) 51.107 4.609 ( -0.254 2.243 -9.493) 9.758 5.699 ( -4.209 3.201 5.929) 7.944 6.082 ( -14.545 20.151 13.155) 28.119 6.600 ( -1.790 15.714 -4.233) 16.372 7.097 ( -5.940 7.789 -4.665) 10.850 7.385 ( 2.550 0.063 3.218) 4.106 7.562 ( 13.077 7.938 -8.580) 17.540 7.618 ( -1.967 -1.590 4.967) 5.574 7.766 ( 4.526 -2.346 1.777) 5.399 8.222 ( -7.274 -8.913 3.391) 11.994 8.636 ( 4.238 -2.866 3.295) 6.085 8.747 ( -2.760 0.153 -4.393) 5.190 8.889 ( 2.060 -0.810 -6.576) 6.939 9.056 ( -2.163 -1.703 -4.820) 5.551 9.413 ( 2.576 -5.466 -7.232) 9.424 10.352 ( -0.666 -3.520 -0.289) 3.594 10.481 ( 3.988 -4.315 -0.519) 5.899 10.742 ( 9.449 -5.725 -2.415) 11.309 11.029 ( 16.403 2.968 -6.028) 17.725 11.397 ( 2.692 2.590 4.858) 6.128 11.566 ( -1.484 1.703 1.724) 2.842 11.893 ( 7.081 -3.063 0.013) 7.715 12.007 ( -0.566 -5.711 -4.546) 7.322 12.352 ( -2.551 5.816 4.768) 7.941 12.493 ( 0.431 2.258 10.943) 11.182 12.532 ( -0.754 3.906 1.113) 4.131 12.783 ( -6.267 3.557 11.312) 13.413 13.169 ( 5.562 -4.031 -4.631) 8.284 13.597 ( -1.854 9.129 -6.515) 11.367 13.685 ( -8.787 4.476 2.578) 10.193 14.025 ( -10.769 -1.425 10.707) 15.253 14.561 ( 2.042 5.144 -5.632) 7.896 14.815 ( -13.484 6.009 1.101) 14.804 15.121 ( 0.633 2.548 -0.831) 2.754 15.276 ( -4.715 8.499 -1.514) 9.837 15.555 ( -5.081 -3.333 3.967) 7.257 15.607 ( 5.231 0.684 -3.877) 6.547 15.631 ( 1.925 2.208 -0.443) 2.962 15.859 ( -2.644 4.465 4.916) 7.148 16.123 ( -7.189 -2.706 3.986) 8.654 16.429 ( 4.495 -6.838 0.021) 8.183 16.795 ( -8.157 -6.868 -4.117) 11.430 16.963 ( 2.509 -5.509 3.322) 6.905 17.166 ( 12.777 -9.524 7.654) 17.679 17.248 ( 1.929 0.271 -2.756) 3.375 17.550 ( 0.535 -1.657 -9.264) 9.426 18.072 ( 22.577 -3.791 -10.396) 25.143 18.829 ( -5.065 -0.477 8.727) 10.102 19.729 ( 10.488 -0.451 0.382) 10.505 21.374 ( -3.299 -5.845 2.509) 7.165 21.697 ( 4.230 -6.029 -1.307) 7.480 22.017 ( 0.725 -1.411 -0.903) 1.825 22.071 ( 0.032 -0.502 -1.990) 2.052 23.268 ( -7.955 3.720 7.052) 11.263 23.634 ( -6.679 6.773 -7.946) 12.395 ======================= Grid point 208 (90/172) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 17.564 -19.781 0.665) 26.462 2.908 ( 7.291 -8.240 -19.836) 22.683 3.259 ( 6.010 -18.905 11.987) 23.178 3.518 ( 3.897 -8.308 -12.035) 15.134 4.350 ( 22.572 -13.943 12.346) 29.263 4.485 ( 6.460 2.529 13.244) 14.951 5.610 ( -15.399 8.699 9.680) 20.162 5.657 ( 3.284 5.610 -0.078) 6.501 6.265 ( -7.277 14.559 -1.557) 16.351 6.901 ( -1.500 8.874 -9.038) 12.755 7.373 ( -6.408 1.857 4.639) 8.126 7.490 ( 10.862 10.579 -6.559) 16.520 7.663 ( 8.228 0.163 -2.518) 8.606 7.946 ( 8.411 -5.738 5.799) 11.717 8.304 ( -6.753 -8.735 5.388) 12.285 8.709 ( -3.734 -3.718 6.053) 8.025 8.732 ( 2.443 0.411 -9.094) 9.426 8.899 ( -0.258 -0.611 -7.421) 7.450 9.050 ( -3.220 -1.547 -3.385) 4.922 9.488 ( 1.808 -1.481 -5.675) 6.138 10.441 ( 2.706 -5.541 0.414) 6.180 10.606 ( 4.936 -4.538 -2.955) 7.327 10.978 ( 11.851 -5.456 2.502) 13.285 11.128 ( 12.769 3.644 -6.164) 14.640 11.336 ( -1.734 5.032 3.074) 6.146 11.501 ( -4.395 1.088 1.207) 4.686 11.993 ( 3.787 0.314 -4.139) 5.619 12.140 ( -0.893 -9.608 -4.155) 10.506 12.198 ( 1.230 12.324 3.327) 12.825 12.380 ( -8.554 0.878 13.587) 16.079 12.561 ( 10.354 1.772 2.459) 10.789 12.782 ( 0.493 -2.904 10.807) 11.202 13.270 ( 3.561 -1.295 -3.528) 5.177 13.409 ( -2.517 6.189 -5.721) 8.796 13.524 ( -6.101 4.503 -0.090) 7.583 13.913 ( -13.895 -1.341 10.125) 17.245 14.496 ( 3.839 10.592 -6.825) 13.173 14.599 ( -9.786 -2.028 0.865) 10.031 14.986 ( -5.270 9.230 -9.116) 14.003 15.078 ( -2.697 7.100 1.914) 7.832 15.498 ( -6.994 -0.953 1.022) 7.132 15.557 ( -0.311 3.607 1.332) 3.858 15.764 ( 2.834 3.556 -0.014) 4.547 15.835 ( 3.384 -8.714 5.627) 10.911 16.074 ( -8.061 -1.443 6.724) 10.596 16.557 ( 2.536 -3.104 -0.934) 4.115 16.876 ( -1.057 -8.452 -3.489) 9.205 17.064 ( 1.219 -3.291 0.800) 3.600 17.261 ( 1.050 -0.106 -1.514) 1.846 17.505 ( 2.632 -5.041 -6.632) 8.736 17.548 ( 8.613 -5.558 8.061) 13.040 18.392 ( 23.057 -4.345 -9.744) 25.406 18.772 ( -6.686 1.209 7.083) 9.815 19.811 ( 5.370 2.033 1.339) 5.896 21.432 ( -3.226 -4.527 -0.245) 5.564 21.846 ( 3.409 -5.748 -0.285) 6.689 22.014 ( 0.238 1.211 -1.779) 2.165 22.106 ( 0.024 -2.949 -3.706) 4.736 23.145 ( -6.044 2.270 9.250) 11.280 23.431 ( -6.251 5.618 -7.627) 11.349 ======================= Grid point 209 (91/172) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 10.474 -13.033 1.160) 16.760 3.049 ( 5.072 -4.430 -14.381) 15.880 3.527 ( -10.059 1.889 -7.150) 12.485 3.693 ( 9.037 -17.486 8.361) 21.385 4.118 ( -7.675 13.285 9.293) 17.938 5.104 ( 22.986 -15.063 12.351) 30.130 5.420 ( -2.614 -0.112 5.015) 5.656 5.692 ( 5.193 -1.893 -2.145) 5.929 5.968 ( -5.693 9.820 -2.553) 11.635 6.711 ( -3.742 8.141 -9.007) 12.704 7.240 ( -9.072 1.411 2.354) 9.478 7.436 ( 7.649 8.209 -2.233) 11.440 7.755 ( 10.126 1.895 0.315) 10.307 8.142 ( 9.091 -3.957 5.386) 11.283 8.395 ( -4.872 -8.263 7.946) 12.456 8.690 ( -10.559 -2.826 3.224) 11.396 8.717 ( 1.995 4.403 -6.531) 8.125 8.889 ( -1.317 -0.785 -7.755) 7.905 9.041 ( 0.137 -1.368 -6.563) 6.705 9.499 ( 0.834 0.828 -3.202) 3.411 10.595 ( 5.814 -5.169 0.615) 7.804 10.735 ( 3.739 -4.813 -3.718) 7.139 11.069 ( 0.627 6.109 6.005) 8.589 11.167 ( 4.736 3.871 -6.680) 9.057 11.335 ( 5.576 -6.299 -0.186) 8.415 11.462 ( 0.029 0.061 0.922) 0.925 11.947 ( -5.609 2.669 -5.328) 8.183 11.981 ( 0.469 10.646 5.187) 11.852 12.267 ( -3.975 -7.849 -5.230) 10.235 12.364 ( -0.130 -0.783 8.988) 9.023 12.684 ( 9.755 -0.347 7.847) 12.524 12.890 ( 2.647 -5.781 7.736) 10.013 13.203 ( -5.102 3.860 -0.800) 6.448 13.339 ( -6.395 1.653 1.902) 6.874 13.442 ( 3.881 1.513 -4.495) 6.128 13.839 ( -2.414 -0.831 4.592) 5.254 14.293 ( -5.940 6.273 -5.134) 10.049 14.621 ( 0.544 -1.314 0.913) 1.690 14.742 ( -6.592 6.868 -11.798) 15.160 14.933 ( -0.701 6.429 -0.717) 6.507 15.441 ( -3.986 0.010 0.277) 3.996 15.510 ( -3.080 0.509 2.808) 4.199 15.722 ( -0.832 1.793 5.298) 5.655 15.958 ( 0.845 1.913 1.116) 2.370 16.125 ( 0.537 -10.532 9.372) 14.108 16.599 ( 2.422 1.107 -1.552) 3.082 17.006 ( -1.208 -6.258 -1.444) 6.535 17.101 ( 1.595 0.121 -2.585) 3.040 17.264 ( 0.307 0.303 -1.518) 1.578 17.456 ( -2.862 0.678 -6.079) 6.754 17.890 ( 11.159 -10.224 8.906) 17.561 18.645 ( -13.129 0.153 10.841) 17.028 18.709 ( 23.411 -1.204 -12.906) 26.759 19.787 ( -0.497 3.687 1.442) 3.990 21.450 ( -3.078 -2.001 -3.412) 5.012 21.953 ( 0.101 -2.595 0.716) 2.694 22.004 ( 1.733 -0.407 -1.958) 2.647 22.139 ( -0.570 -1.765 -4.623) 4.982 23.054 ( -3.384 5.170 12.491) 13.936 23.317 ( -2.046 -0.863 -8.567) 8.850 ======================= Grid point 210 (92/172) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -7.574 6.830 7.805) 12.842 3.072 ( -3.235 9.225 -7.558) 12.356 3.237 ( -16.405 12.066 4.356) 20.826 4.006 ( 9.543 -9.656 -1.091) 13.620 4.120 ( 3.662 -13.156 4.921) 14.516 5.439 ( 8.547 -0.875 7.002) 11.083 5.510 ( 4.549 -5.598 -7.536) 10.432 5.792 ( -2.208 3.153 -6.836) 7.845 5.864 ( 7.814 -8.888 5.739) 13.153 6.498 ( -8.709 5.948 -6.806) 12.551 7.154 ( -10.697 -3.888 3.967) 12.053 7.369 ( 5.859 7.489 0.023) 9.508 7.811 ( 6.456 3.483 2.454) 7.736 8.296 ( 1.701 -4.417 4.907) 6.818 8.513 ( 4.382 -4.339 8.316) 10.353 8.576 ( -8.715 3.499 2.740) 9.782 8.609 ( -4.557 3.430 -4.418) 7.215 8.874 ( -0.126 -0.167 -8.937) 8.940 9.074 ( 3.972 -0.108 -8.781) 9.638 9.477 ( -0.553 1.388 -1.610) 2.196 10.657 ( -2.691 1.470 0.597) 3.124 10.862 ( 3.110 -3.220 -1.307) 4.664 10.948 ( -2.715 3.359 1.529) 4.582 11.152 ( 4.877 0.954 -4.468) 6.683 11.467 ( -1.688 -4.433 -3.866) 6.120 11.539 ( 8.756 -1.386 3.960) 9.709 11.803 ( -8.896 1.758 -5.434) 10.571 11.897 ( 3.276 2.589 5.579) 6.968 12.309 ( -7.696 -6.892 -7.157) 12.568 12.423 ( 4.062 -1.324 6.835) 8.060 12.783 ( 4.977 -0.079 10.598) 11.708 13.038 ( 0.102 -2.770 4.890) 5.621 13.097 ( -5.262 -1.880 1.756) 5.857 13.241 ( -3.548 1.787 1.267) 4.170 13.421 ( -2.995 2.132 -1.550) 3.990 13.911 ( 11.075 -0.087 -0.092) 11.075 14.170 ( -2.627 0.289 -4.282) 5.032 14.486 ( -3.210 6.351 -4.289) 8.309 14.738 ( 1.387 -4.101 -5.270) 6.820 14.866 ( 2.618 1.454 -2.438) 3.862 15.413 ( -2.063 -0.755 0.857) 2.358 15.462 ( -6.472 -0.356 5.162) 8.285 15.702 ( -0.112 0.773 3.260) 3.352 15.931 ( 2.064 2.218 3.900) 4.938 16.343 ( 4.048 -8.567 7.301) 11.961 16.573 ( 3.169 5.080 -2.490) 6.485 16.977 ( -8.204 1.463 1.549) 8.476 17.128 ( 2.756 1.539 -4.693) 5.656 17.276 ( 2.591 -1.139 -3.264) 4.320 17.416 ( -1.703 0.420 -3.941) 4.314 18.130 ( 2.474 -5.023 5.744) 8.022 18.465 ( -15.640 1.527 8.982) 18.101 18.964 ( 19.998 -0.451 -10.930) 22.794 19.713 ( -4.326 0.647 2.613) 5.095 21.423 ( -2.644 0.359 -4.479) 5.214 21.951 ( -0.078 1.281 1.512) 1.984 22.032 ( -0.686 0.074 -1.041) 1.249 22.145 ( -0.393 -0.717 -5.062) 5.128 22.943 ( -1.167 5.286 11.171) 12.414 23.370 ( 3.536 -4.324 -6.786) 8.790 ======================= Grid point 211 (93/172) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -8.843 10.340 6.379) 15.027 2.705 ( -9.949 18.125 -3.262) 20.931 2.788 ( -20.144 15.165 12.956) 28.348 4.264 ( -1.995 -4.844 -0.761) 5.294 4.359 ( 7.896 -5.809 -0.387) 9.811 5.380 ( -5.020 10.320 3.328) 11.949 5.601 ( 0.898 -5.227 -6.946) 8.739 5.824 ( 3.392 -6.238 -7.362) 10.228 6.170 ( 6.657 -12.441 7.461) 15.961 6.362 ( -1.401 -3.134 -10.969) 11.494 7.113 ( -15.851 -6.642 11.649) 20.762 7.362 ( 8.841 1.034 -4.250) 9.864 7.770 ( -1.699 4.925 1.248) 5.357 8.287 ( -6.492 4.725 5.492) 9.728 8.427 ( -2.137 3.511 -6.254) 7.484 8.514 ( -4.206 0.084 6.587) 7.816 8.691 ( 10.145 -2.845 6.249) 12.250 8.866 ( 0.908 -0.159 -9.206) 9.252 9.086 ( 5.925 3.524 -7.916) 10.497 9.426 ( -2.146 2.607 -1.783) 3.818 10.561 ( -8.960 0.275 1.235) 9.049 10.759 ( -5.125 5.618 -3.454) 8.352 10.958 ( 0.768 2.313 -0.261) 2.451 11.273 ( 7.447 -5.908 1.829) 9.681 11.505 ( -2.437 -3.334 -4.652) 6.220 11.587 ( -5.613 3.098 -5.377) 8.368 11.699 ( 0.487 -1.804 2.552) 3.163 11.966 ( 4.076 -1.902 2.599) 5.194 12.332 ( -13.186 -9.794 -4.894) 17.139 12.491 ( 3.538 -0.747 7.664) 8.474 12.810 ( 0.107 4.726 7.031) 8.473 13.037 ( 4.478 -3.426 2.146) 6.033 13.113 ( -7.820 -0.750 1.940) 8.092 13.234 ( 1.005 -2.826 3.125) 4.331 13.324 ( -3.902 1.541 -5.190) 6.674 14.038 ( 10.089 0.048 3.202) 10.585 14.234 ( 5.940 -5.180 -4.307) 8.982 14.463 ( 6.158 -3.024 -2.080) 7.169 14.761 ( 1.391 1.139 -6.555) 6.797 14.958 ( 4.227 -5.627 -0.307) 7.044 15.395 ( -8.961 -1.378 6.841) 11.358 15.424 ( 0.158 -1.510 1.790) 2.348 15.698 ( 1.407 1.004 0.412) 1.776 15.947 ( 3.904 1.041 4.365) 5.948 16.490 ( 3.148 7.047 -4.628) 8.999 16.524 ( 4.910 -4.252 5.696) 8.638 16.835 ( -10.139 2.562 3.606) 11.062 17.076 ( 1.199 5.416 -3.570) 6.597 17.329 ( 3.501 -0.314 -3.572) 5.012 17.373 ( -0.795 2.270 -3.723) 4.433 18.072 ( -16.454 2.439 7.477) 18.237 18.308 ( -8.533 2.434 0.668) 8.899 19.144 ( 15.846 1.338 -10.667) 19.149 19.707 ( -7.973 -7.243 5.258) 11.986 21.373 ( -0.833 1.989 -2.430) 3.249 21.922 ( 0.061 2.974 1.056) 3.156 21.969 ( -2.856 3.740 1.515) 4.944 22.127 ( -0.382 1.696 -4.772) 5.078 22.916 ( 2.807 0.467 9.047) 9.484 23.491 ( 6.872 -3.245 -6.663) 10.107 ======================= Grid point 212 (94/172) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -10.763 23.812 9.090) 27.667 2.312 ( -20.739 12.838 16.977) 29.717 2.458 ( -2.100 2.731 -8.031) 8.739 4.076 ( -15.093 15.803 8.111) 23.309 4.335 ( -8.361 7.496 -2.074) 11.419 5.052 ( -12.577 12.651 -6.078) 18.847 5.826 ( 7.320 -15.849 -7.190) 18.881 5.951 ( -3.995 -8.109 3.431) 9.669 6.422 ( 8.446 -11.397 -6.434) 15.576 6.604 ( 9.777 -12.660 -0.899) 16.021 7.082 ( -11.083 -7.036 11.588) 17.511 7.515 ( 5.588 -7.952 -6.694) 11.802 7.633 ( -6.790 3.153 -0.001) 7.486 8.107 ( 3.698 12.309 3.535) 13.330 8.305 ( -11.745 0.081 -4.818) 12.695 8.542 ( 1.848 -0.910 7.294) 7.580 8.802 ( 6.757 2.844 -0.248) 7.335 8.884 ( 0.124 -2.732 -5.828) 6.438 9.086 ( 10.103 4.979 -3.482) 11.789 9.326 ( -3.040 4.760 -3.905) 6.866 10.461 ( -9.689 -0.510 0.381) 9.709 10.612 ( -4.196 3.680 -4.902) 7.428 10.879 ( -4.680 3.234 3.259) 6.556 11.319 ( -12.549 7.135 -8.720) 16.865 11.472 ( 3.662 -4.678 1.853) 6.223 11.567 ( -0.273 -4.555 -3.916) 6.013 11.775 ( 2.255 -0.832 4.565) 5.159 11.980 ( -5.454 -0.045 0.921) 5.532 12.340 ( -7.994 -7.427 -0.617) 10.929 12.547 ( -3.952 -2.449 3.081) 5.577 12.765 ( 3.706 0.520 10.832) 11.460 12.946 ( -9.435 5.085 1.359) 10.803 13.215 ( 0.730 -8.945 -6.275) 10.951 13.307 ( 3.002 -1.424 -8.396) 9.029 13.384 ( 11.255 -5.719 5.966) 13.964 14.171 ( 8.758 -1.912 6.150) 10.870 14.405 ( 1.997 -7.825 -3.410) 8.766 14.674 ( 10.060 -8.373 0.219) 13.090 14.773 ( 7.561 -0.007 -6.738) 10.128 15.082 ( 1.685 -2.977 3.110) 4.623 15.337 ( -9.224 -3.054 7.022) 11.988 15.484 ( 4.475 -2.292 1.560) 5.264 15.704 ( 1.537 -0.198 -1.874) 2.432 15.980 ( 2.713 0.762 3.771) 4.708 16.381 ( 1.788 7.246 -5.212) 9.103 16.621 ( 1.821 0.632 -3.733) 4.201 16.691 ( -6.018 2.166 12.117) 13.702 16.972 ( 1.189 7.262 -2.281) 7.704 17.288 ( -1.596 4.510 -1.913) 5.153 17.353 ( 4.318 2.823 -4.665) 6.955 17.805 ( -21.305 2.863 8.388) 23.075 18.120 ( -9.612 6.624 -6.847) 13.533 19.248 ( 11.854 2.807 -10.617) 16.159 19.760 ( -17.305 -12.858 4.729) 22.071 21.347 ( 3.061 1.785 1.948) 4.044 21.786 ( -4.554 8.156 1.760) 9.506 21.929 ( 1.611 1.194 2.017) 2.844 22.070 ( 0.121 3.499 -2.829) 4.501 23.009 ( 5.858 -3.311 6.626) 9.444 23.603 ( 8.863 -0.203 -6.802) 11.175 ======================= Grid point 213 (95/172) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -5.561 22.771 17.932) 29.513 1.882 ( -20.167 13.256 23.066) 33.384 2.462 ( 2.481 -3.088 -18.702) 19.117 3.507 ( -20.370 24.000 25.994) 40.825 3.941 ( -25.414 13.037 -9.740) 30.178 4.745 ( -3.696 7.816 -17.361) 19.394 5.990 ( -9.659 -5.676 13.197) 17.311 6.209 ( 6.388 -15.973 -11.272) 20.567 6.758 ( 13.354 -12.175 -5.665) 18.938 6.885 ( -1.441 -13.069 10.421) 16.777 7.194 ( 3.973 -9.255 -0.063) 10.072 7.493 ( -4.891 1.633 0.445) 5.176 7.720 ( -0.156 -6.564 -3.110) 7.265 8.010 ( 6.565 4.342 0.937) 7.927 8.161 ( -10.131 0.201 -6.953) 12.289 8.540 ( -1.575 3.491 4.494) 5.905 8.807 ( 3.073 1.528 1.358) 3.691 8.913 ( 0.062 -1.773 -6.876) 7.102 9.128 ( 10.426 4.514 -0.621) 11.379 9.191 ( -0.855 6.502 -8.142) 10.455 10.345 ( -7.817 2.003 -0.805) 8.110 10.535 ( -0.778 1.193 -3.388) 3.675 10.769 ( -9.000 1.004 5.066) 10.377 11.002 ( -14.279 7.818 -10.840) 19.558 11.537 ( 1.268 -0.174 -0.667) 1.443 11.625 ( -8.880 -5.087 -0.726) 10.259 11.733 ( -1.612 5.216 6.921) 8.815 11.959 ( 0.623 -2.677 -3.412) 4.381 12.391 ( 0.541 -2.287 1.871) 3.004 12.536 ( -8.977 -5.725 5.440) 11.956 12.761 ( -9.805 1.026 1.541) 9.978 12.874 ( 6.889 0.375 6.366) 9.387 13.318 ( -5.654 -8.780 -6.322) 12.208 13.447 ( 9.712 -6.367 -7.948) 14.072 13.634 ( 13.108 -3.985 3.472) 14.133 14.285 ( -5.894 -6.035 2.752) 8.873 14.524 ( 9.459 -2.297 -2.333) 10.009 14.927 ( 8.690 -6.318 -2.265) 10.980 14.942 ( 6.285 -6.057 2.627) 9.116 15.118 ( 1.875 -2.725 5.753) 6.636 15.310 ( -3.868 -0.740 3.904) 5.546 15.613 ( 8.023 -3.764 1.038) 8.923 15.736 ( -2.619 -4.201 -2.755) 5.665 15.993 ( 0.277 -0.370 2.083) 2.134 16.265 ( -1.053 5.788 -3.289) 6.740 16.500 ( -6.185 4.774 -1.570) 7.970 16.695 ( 4.280 3.373 9.618) 11.054 16.849 ( 2.685 8.765 -0.690) 9.193 17.172 ( -2.452 5.172 -2.699) 6.329 17.330 ( 5.555 5.014 -3.895) 8.436 17.550 ( -18.166 1.007 6.319) 19.260 17.854 ( -11.180 7.920 -10.430) 17.220 19.296 ( 9.199 3.245 -9.798) 13.826 19.717 ( -29.838 -11.665 0.351) 32.039 21.384 ( 4.766 0.925 4.616) 6.699 21.591 ( -3.460 8.035 1.402) 8.860 21.960 ( 2.193 -1.568 2.603) 3.748 22.012 ( 1.262 2.862 -0.907) 3.257 23.172 ( 7.905 -4.910 6.430) 11.311 23.672 ( 10.335 3.851 -5.847) 12.483 ======================= Grid point 214 (96/172) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 1.763 12.015 28.366) 30.856 1.478 ( -9.988 14.883 27.128) 32.515 2.488 ( 1.307 1.499 -9.005) 9.222 3.030 ( -11.637 10.856 27.618) 31.875 3.371 ( -28.367 10.996 -16.806) 34.757 4.621 ( 2.926 3.089 -25.063) 25.422 5.963 ( -10.903 -2.574 16.546) 19.982 6.465 ( 3.341 -8.950 -10.681) 14.330 7.008 ( -5.797 -11.060 11.651) 17.078 7.187 ( 12.057 -12.958 -3.088) 17.968 7.398 ( 7.660 -3.778 -2.269) 8.837 7.452 ( -0.355 0.597 2.646) 2.735 7.705 ( -4.937 2.150 2.591) 5.976 7.949 ( -20.148 -1.599 -7.292) 21.487 8.173 ( 12.157 -1.853 -5.200) 13.352 8.418 ( -6.854 4.605 5.246) 9.783 8.839 ( 2.037 -1.500 1.071) 2.747 8.924 ( -0.172 -0.888 -7.880) 7.932 9.047 ( -0.526 6.396 -6.422) 9.078 9.176 ( 9.594 3.196 -7.591) 12.645 10.230 ( -3.782 2.785 0.095) 4.698 10.516 ( 0.744 1.942 0.483) 2.135 10.653 ( -8.685 1.188 3.389) 9.398 10.749 ( -7.835 2.170 -14.483) 16.608 11.486 ( -10.688 0.271 2.525) 10.986 11.570 ( -1.898 -0.346 -2.073) 2.832 11.674 ( 2.821 4.180 7.590) 9.112 12.023 ( 0.445 -2.977 -5.050) 5.879 12.431 ( 0.727 -0.694 4.044) 4.167 12.543 ( -7.742 -3.710 8.972) 12.418 12.698 ( -3.873 -4.048 -1.591) 5.823 12.900 ( 4.827 5.499 -1.383) 7.447 13.386 ( -12.801 -9.670 0.224) 16.044 13.646 ( 8.225 -4.392 -7.107) 11.724 13.822 ( 11.256 -1.519 4.619) 12.261 14.249 ( -17.058 -6.199 -0.458) 18.156 14.737 ( 21.414 -0.368 -1.285) 21.455 14.921 ( -8.941 1.115 5.135) 10.371 15.095 ( 6.060 -2.639 0.354) 6.619 15.249 ( -3.038 -0.437 1.839) 3.578 15.392 ( 10.353 -8.828 0.984) 13.641 15.696 ( -3.664 0.077 -1.822) 4.093 15.846 ( 5.494 -8.715 -0.377) 10.309 16.025 ( -3.762 -4.728 -0.684) 6.080 16.157 ( -1.288 4.064 -0.183) 4.267 16.334 ( -6.714 5.710 -0.739) 8.845 16.652 ( -1.306 5.687 14.149) 15.305 16.765 ( 11.573 8.516 -1.189) 14.418 17.058 ( -4.216 2.880 -3.938) 6.448 17.321 ( 5.241 1.652 -6.034) 8.161 17.392 ( -6.574 0.505 3.386) 7.412 17.575 ( -9.495 7.795 -9.788) 15.708 19.335 ( 8.887 1.993 -7.875) 12.040 19.470 ( -36.717 -4.569 0.474) 37.003 21.367 ( -2.108 3.881 4.899) 6.596 21.491 ( 2.777 2.637 -2.691) 4.680 21.957 ( 0.237 1.848 2.011) 2.742 22.073 ( 2.067 -4.169 -1.427) 4.867 23.373 ( 6.050 -6.193 8.637) 12.229 23.707 ( 13.217 5.209 -4.118) 14.792 ======================= Grid point 216 (97/172) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 20.803 0.000 18.902) 28.108 2.335 ( 18.024 0.000 25.165) 30.954 2.727 ( 9.157 0.000 -30.176) 31.535 2.979 ( 35.345 0.000 37.526) 51.551 3.101 ( 17.739 0.000 -15.639) 23.648 4.608 ( 3.740 0.000 -23.149) 23.449 5.761 ( -8.116 -0.000 11.970) 14.462 6.641 ( 0.451 0.000 8.121) 8.134 7.016 ( 1.366 0.000 -3.180) 3.461 7.156 ( -17.258 -0.000 -2.530) 17.442 7.321 ( -5.799 -0.000 7.354) 9.365 7.379 ( 3.341 0.000 2.395) 4.111 7.784 ( 11.258 0.000 1.759) 11.394 7.814 ( -3.807 -0.000 3.953) 5.488 8.025 ( -2.068 -0.000 -5.054) 5.461 8.540 ( -2.786 -0.000 11.379) 11.715 8.826 ( 4.735 0.000 -6.742) 8.239 8.826 ( -0.110 -0.000 -9.802) 9.802 9.101 ( 2.657 0.000 -5.625) 6.221 9.203 ( -0.823 -0.000 -10.114) 10.148 10.326 ( 8.537 0.000 2.347) 8.854 10.344 ( -2.831 -0.000 -8.080) 8.562 10.641 ( 11.612 0.000 -0.952) 11.651 11.111 ( 20.913 0.000 -6.431) 21.880 11.424 ( 5.771 0.000 5.327) 7.853 11.638 ( 5.026 0.000 3.953) 6.394 11.808 ( 5.114 0.000 5.301) 7.366 11.913 ( -6.038 -0.000 -6.292) 8.721 12.472 ( -6.364 -0.000 8.603) 10.701 12.494 ( 0.996 0.000 8.150) 8.211 12.625 ( -1.896 -0.000 -2.609) 3.225 12.974 ( 9.026 0.000 -2.813) 9.454 13.008 ( -6.589 -0.000 14.198) 15.653 13.738 ( -3.953 -0.000 -1.967) 4.416 13.850 ( -9.888 -0.000 -1.475) 9.998 13.999 ( -11.110 -0.000 11.177) 15.760 14.687 ( 4.450 0.000 -5.109) 6.775 14.858 ( -15.755 -0.000 0.976) 15.785 15.257 ( -4.167 -0.000 -2.476) 4.847 15.272 ( 2.947 0.000 4.571) 5.438 15.553 ( 1.040 0.000 -5.254) 5.356 15.659 ( -14.598 -0.000 0.053) 14.598 15.721 ( 1.195 0.000 1.788) 2.151 15.893 ( -4.703 -0.000 4.045) 6.203 16.171 ( 5.662 0.000 0.937) 5.739 16.228 ( 4.189 0.000 0.921) 4.289 16.613 ( -12.926 -0.000 -3.107) 13.294 16.893 ( 0.797 0.000 4.063) 4.141 16.902 ( 11.477 0.000 5.511) 12.732 17.370 ( 2.458 0.000 1.664) 2.969 17.440 ( 8.757 0.000 -14.602) 17.027 17.981 ( 19.015 0.000 -7.084) 20.292 18.846 ( 4.800 0.000 3.516) 5.950 19.728 ( 14.743 0.000 3.153) 15.076 21.246 ( -2.710 -0.000 3.581) 4.491 21.550 ( 2.471 0.000 -3.229) 4.066 21.963 ( 0.339 0.000 2.545) 2.567 22.085 ( -1.137 -0.000 -4.466) 4.608 23.337 ( -11.640 -0.000 4.773) 12.581 23.782 ( -7.772 -0.000 -7.250) 10.628 ======================= Grid point 217 (98/172) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 25.677 -4.720 9.128) 27.657 2.618 ( 12.964 -8.037 22.407) 27.106 2.873 ( 17.779 -2.270 -22.011) 28.385 3.277 ( 16.476 -3.830 -11.023) 20.190 3.683 ( 45.925 -13.273 20.559) 52.038 4.615 ( 1.702 -0.154 -14.204) 14.306 5.671 ( -7.902 0.998 6.569) 10.324 6.370 ( -7.257 23.010 12.499) 27.173 6.811 ( -8.894 14.668 -2.235) 17.298 7.065 ( -7.228 -3.661 -5.994) 10.079 7.390 ( -5.693 -6.320 5.153) 9.945 7.498 ( 9.363 -4.329 1.490) 10.422 7.714 ( -5.603 -1.081 0.720) 5.751 7.853 ( 9.245 7.087 -2.616) 11.938 8.069 ( 1.402 -4.346 0.440) 4.588 8.545 ( -6.432 -4.940 9.123) 12.207 8.776 ( 1.304 2.452 -9.541) 9.937 8.908 ( 3.611 -1.719 -3.814) 5.526 9.043 ( 0.633 3.954 -7.113) 8.163 9.295 ( 1.345 -8.196 -8.339) 11.770 10.326 ( 3.014 -0.573 -3.824) 4.902 10.466 ( 6.128 -3.726 -0.770) 7.213 10.823 ( 16.323 -1.875 -0.139) 16.431 11.287 ( 16.757 3.565 -3.599) 17.506 11.503 ( 7.793 2.343 2.208) 8.432 11.644 ( 1.272 5.960 5.870) 8.462 11.869 ( -4.287 -4.035 -3.686) 6.946 11.939 ( 10.046 -4.922 -0.134) 11.188 12.356 ( -9.261 2.389 8.251) 12.631 12.518 ( -0.458 0.352 10.084) 10.100 12.646 ( 7.501 1.657 -0.969) 7.742 12.870 ( -0.459 8.370 8.086) 11.647 13.152 ( 7.047 -4.789 -2.033) 8.759 13.642 ( -9.660 2.257 1.244) 9.998 13.675 ( -7.676 6.126 -3.498) 10.426 13.866 ( -14.441 -0.916 8.082) 16.574 14.619 ( -10.491 3.648 0.435) 11.116 14.764 ( 0.930 2.150 -5.642) 6.109 15.171 ( -4.178 1.423 0.710) 4.471 15.309 ( -2.198 -1.871 1.764) 3.383 15.441 ( -11.668 4.936 -0.217) 12.671 15.575 ( -1.068 -3.417 -1.425) 3.853 15.691 ( -2.412 3.054 3.637) 5.326 15.877 ( -4.125 -1.153 2.108) 4.774 16.131 ( 3.478 7.508 0.158) 8.277 16.354 ( 1.650 -5.650 -0.236) 5.891 16.560 ( -6.326 -9.206 -3.574) 11.728 16.929 ( 1.579 -2.653 3.840) 4.927 17.109 ( 7.559 -6.402 2.286) 10.166 17.382 ( 9.449 2.647 2.138) 10.043 17.518 ( 0.797 -2.152 -6.758) 7.137 18.225 ( 20.042 -3.737 -4.101) 20.796 18.915 ( 10.871 4.728 -5.064) 12.891 19.892 ( 13.690 1.885 7.137) 15.554 21.259 ( -2.295 -3.880 2.990) 5.409 21.624 ( 2.339 -5.604 -2.767) 6.674 21.987 ( 0.375 -1.802 0.676) 1.960 22.062 ( -1.060 0.156 -3.651) 3.805 23.175 ( -14.958 0.728 2.548) 15.191 23.627 ( -9.978 3.817 -5.154) 11.861 ======================= Grid point 218 (99/172) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 25.774 -9.981 -0.875) 27.653 2.956 ( 18.879 -5.455 -6.516) 20.704 3.130 ( 14.203 -8.444 12.564) 20.758 3.495 ( 12.893 -2.402 -18.693) 22.835 4.448 ( 28.891 -11.091 11.903) 33.157 4.605 ( 7.940 -0.677 5.956) 9.949 5.562 ( -8.841 2.761 2.011) 9.478 5.925 ( -0.109 19.871 8.060) 21.444 6.422 ( -10.895 14.973 0.186) 18.518 6.986 ( -4.523 4.054 -6.691) 9.037 7.268 ( -16.814 2.379 3.218) 17.283 7.686 ( 4.521 -2.618 -0.349) 5.236 7.813 ( 7.414 -2.270 0.625) 7.779 7.817 ( 6.349 -1.734 -6.878) 9.519 8.183 ( 2.585 -4.869 6.976) 8.891 8.556 ( -9.331 -4.267 5.584) 11.681 8.756 ( 0.975 -0.641 -10.705) 10.768 8.934 ( 3.109 2.489 -1.603) 4.293 8.997 ( -0.598 0.194 -5.765) 5.800 9.430 ( 1.500 -5.808 -6.682) 8.980 10.420 ( 7.634 -3.491 -1.835) 8.593 10.581 ( 3.795 -3.697 -2.087) 5.694 11.064 ( 16.750 -2.979 1.982) 17.128 11.388 ( 16.080 5.616 -3.846) 17.462 11.490 ( 2.503 9.120 3.180) 9.978 11.517 ( -0.987 4.894 3.063) 5.858 11.916 ( -3.660 -5.941 -4.615) 8.366 12.128 ( 8.543 2.758 -3.284) 9.559 12.251 ( -5.963 -3.619 10.841) 12.891 12.461 ( -0.379 8.233 8.959) 12.173 12.716 ( 10.187 2.886 -0.333) 10.593 12.776 ( -0.518 1.104 9.052) 9.134 13.277 ( 3.584 -1.622 -1.897) 4.367 13.439 ( -10.795 5.344 3.006) 12.415 13.517 ( -4.718 3.259 -5.141) 7.701 13.771 ( -7.193 -2.636 4.327) 8.798 14.406 ( -17.740 1.598 1.732) 17.895 14.713 ( 6.344 6.076 -9.464) 12.913 15.048 ( -7.838 6.516 -4.229) 11.035 15.205 ( -1.113 8.657 -0.409) 8.738 15.361 ( -5.941 -4.733 3.175) 8.233 15.587 ( -6.455 3.135 4.050) 8.240 15.680 ( -2.577 -9.118 8.360) 12.636 15.825 ( -1.713 0.906 -2.363) 3.056 16.052 ( 0.986 3.961 1.028) 4.209 16.456 ( -2.043 -7.285 -1.912) 7.804 16.718 ( 1.325 -9.965 -0.436) 10.063 17.020 ( 1.879 -4.347 2.508) 5.359 17.209 ( -2.261 -3.008 -3.029) 4.831 17.481 ( -1.329 -0.381 -7.295) 7.425 17.608 ( 15.386 -4.248 10.190) 18.937 18.532 ( 19.536 -4.063 -0.925) 19.975 18.888 ( 8.560 8.893 -8.415) 14.939 19.971 ( 8.726 5.782 8.458) 13.458 21.323 ( -1.486 -4.954 1.228) 5.316 21.762 ( 1.891 -7.045 -1.696) 7.489 22.021 ( 0.213 -0.905 -4.220) 4.321 22.052 ( -0.779 -1.477 -2.232) 2.787 23.027 ( -13.203 -3.130 3.025) 13.902 23.429 ( -9.508 4.772 -3.496) 11.198 ======================= Grid point 219 (100/172) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 21.157 -11.346 -6.085) 24.766 3.171 ( 18.192 2.503 -12.203) 22.048 3.468 ( 1.360 -2.578 17.948) 18.183 3.607 ( 15.208 -7.022 -10.148) 19.585 4.368 ( -1.147 16.759 7.576) 18.427 5.132 ( 21.459 -12.789 11.159) 27.360 5.416 ( -1.840 1.758 4.033) 4.769 5.786 ( 7.822 4.781 -1.398) 9.273 6.078 ( -7.687 11.624 -0.562) 13.948 6.793 ( -7.010 9.400 -6.624) 13.468 7.047 ( -19.763 -2.064 2.532) 20.031 7.640 ( -0.092 5.892 -5.167) 7.837 7.909 ( 10.230 1.751 -1.557) 10.495 8.030 ( 2.080 -10.136 4.270) 11.193 8.323 ( 4.722 -4.770 7.502) 10.067 8.496 ( -12.389 -3.347 3.977) 13.435 8.772 ( 0.775 -1.684 -13.156) 13.286 8.903 ( 3.080 4.632 -1.857) 5.865 8.998 ( 0.052 -1.754 -3.624) 4.026 9.492 ( -0.316 -1.647 -4.030) 4.365 10.609 ( 11.570 -5.545 -1.207) 12.887 10.684 ( 1.997 -4.249 -2.615) 5.374 11.241 ( 7.562 5.531 5.374) 10.800 11.312 ( 1.662 8.626 -2.833) 9.231 11.422 ( 10.193 5.684 -1.402) 11.755 11.526 ( 9.891 1.148 2.838) 10.354 11.910 ( -7.312 0.894 -6.797) 10.023 12.038 ( -5.544 1.481 0.918) 5.811 12.287 ( 0.075 8.581 8.251) 11.905 12.356 ( 3.860 -0.442 4.096) 5.645 12.756 ( -0.010 -1.239 10.209) 10.284 12.864 ( 6.925 -3.089 0.932) 7.639 13.230 ( -4.412 4.855 3.906) 7.635 13.274 ( -7.467 0.904 0.440) 7.535 13.458 ( -1.277 0.642 -4.073) 4.316 13.836 ( 6.114 -4.332 0.704) 7.526 14.195 ( -14.189 0.442 -1.260) 14.252 14.682 ( 3.698 2.594 -10.254) 11.204 14.796 ( -6.958 9.616 -5.069) 12.906 15.053 ( -0.172 7.543 -0.413) 7.557 15.365 ( -5.834 -2.414 3.800) 7.369 15.470 ( -7.481 1.278 4.532) 8.840 15.718 ( -2.137 0.113 2.281) 3.128 15.942 ( -1.937 -9.413 9.921) 13.812 16.032 ( 6.384 -0.313 -2.744) 6.956 16.546 ( -2.108 -5.668 -1.459) 6.221 16.884 ( -1.248 -7.549 1.545) 7.806 17.115 ( 3.641 -2.493 -0.674) 4.464 17.216 ( -3.098 -2.715 -2.799) 4.980 17.422 ( -4.163 0.712 -5.694) 7.089 17.902 ( 13.630 -6.138 8.503) 17.197 18.630 ( -1.836 7.794 5.677) 9.815 18.945 ( 22.241 0.031 -12.664) 25.594 19.914 ( 1.931 8.864 7.172) 11.564 21.385 ( -0.225 -3.010 -1.487) 3.365 21.885 ( 0.509 -5.294 -0.659) 5.359 22.014 ( 0.407 0.257 -3.645) 3.677 22.081 ( -0.975 -2.708 -3.733) 4.714 23.004 ( -7.930 -6.069 6.740) 12.047 23.251 ( -7.796 2.186 -4.846) 9.436 ======================= Grid point 220 (101/172) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 7.590 6.257 0.087) 9.837 3.188 ( -4.857 9.601 6.163) 12.400 3.436 ( 16.510 10.107 -8.438) 21.117 4.010 ( 13.960 -12.125 7.855) 20.089 4.078 ( 4.129 10.339 4.394) 11.969 5.442 ( 3.241 -4.824 2.185) 6.209 5.516 ( 10.162 -4.803 -3.181) 11.681 5.829 ( -3.547 5.084 -7.525) 9.749 5.884 ( 8.623 -0.614 6.998) 11.122 6.500 ( -12.250 9.054 -5.083) 16.059 6.893 ( -18.794 -4.787 2.384) 19.540 7.512 ( -3.629 4.925 -3.476) 7.036 7.935 ( 2.707 4.474 1.171) 5.359 8.182 ( -2.451 -4.841 5.257) 7.556 8.366 ( -10.830 -5.288 8.159) 14.555 8.554 ( 8.317 -4.271 4.220) 10.258 8.765 ( 3.565 3.865 -12.262) 13.342 8.857 ( 2.562 2.235 -5.004) 6.050 9.046 ( 0.576 -3.802 -4.368) 5.819 9.483 ( -1.623 0.381 -1.758) 2.423 10.712 ( -1.829 2.651 0.036) 3.221 10.855 ( 13.798 -5.338 -0.804) 14.816 11.099 ( 2.003 12.109 3.109) 12.661 11.233 ( 4.176 3.478 -8.155) 9.800 11.438 ( 1.790 2.665 2.230) 3.909 11.665 ( 12.030 1.370 2.187) 12.304 11.741 ( -8.788 3.733 -4.737) 10.658 11.977 ( -1.514 0.151 1.080) 1.866 12.166 ( -3.936 3.810 4.996) 7.414 12.432 ( 2.955 -2.618 1.326) 4.165 12.796 ( -2.753 -3.540 11.336) 12.191 12.983 ( 3.979 -2.661 -0.844) 4.861 13.116 ( -2.329 4.663 6.313) 8.187 13.220 ( -1.072 0.159 -1.040) 1.502 13.399 ( -5.321 1.184 -1.634) 5.691 13.961 ( -2.936 -3.220 4.594) 6.332 14.129 ( 5.440 -2.656 -6.881) 9.165 14.538 ( -6.466 5.723 -7.657) 11.541 14.732 ( 7.082 -0.005 -5.134) 8.747 14.962 ( 3.898 4.572 -2.576) 6.537 15.317 ( -11.990 -2.477 8.110) 14.686 15.404 ( -2.311 -0.112 2.081) 3.112 15.709 ( 0.332 -0.077 -1.159) 1.208 15.971 ( -1.028 0.194 7.146) 7.222 16.261 ( 8.262 -9.781 2.528) 13.051 16.592 ( -2.132 -2.571 -0.822) 3.440 16.906 ( -8.001 -0.424 3.289) 8.661 17.180 ( 3.537 0.536 -4.087) 5.431 17.249 ( 0.936 -3.988 -2.567) 4.834 17.372 ( -2.986 -1.012 -4.455) 5.458 18.106 ( 3.666 -2.157 6.208) 7.525 18.420 ( -6.980 8.110 4.478) 11.599 19.185 ( 20.345 0.511 -9.819) 22.597 19.760 ( -2.845 8.174 5.343) 10.171 21.415 ( 1.590 -0.139 -2.695) 3.132 21.951 ( -0.164 -2.127 0.979) 2.347 22.013 ( -0.724 -0.183 -1.833) 1.979 22.106 ( -0.554 -2.076 -4.111) 4.639 22.985 ( -5.643 1.346 9.750) 11.345 23.238 ( -2.737 -8.997 -7.694) 12.150 ======================= Grid point 221 (102/172) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -6.189 13.686 13.696) 20.327 2.889 ( 3.841 20.297 5.895) 21.482 3.190 ( 7.576 29.137 -2.640) 30.222 4.199 ( 7.840 -5.064 0.072) 9.334 4.350 ( 11.873 -7.592 1.462) 14.169 5.390 ( -12.505 4.073 -3.036) 13.497 5.631 ( 2.126 3.915 -1.411) 4.673 5.769 ( 3.622 -3.396 -6.597) 8.256 6.080 ( 3.464 -6.404 7.739) 10.626 6.289 ( 0.577 -1.869 -10.976) 11.149 6.796 ( -17.308 -7.930 4.901) 19.659 7.398 ( -5.470 0.802 -2.446) 6.045 7.811 ( -6.655 6.272 1.110) 9.212 8.155 ( -11.679 -2.601 3.975) 12.608 8.430 ( 0.412 -5.325 12.893) 13.956 8.599 ( 2.439 8.635 -2.432) 9.296 8.783 ( 8.348 -1.513 -7.070) 11.043 8.881 ( 6.152 0.507 -5.923) 8.555 9.125 ( 2.809 -3.970 -5.895) 7.643 9.438 ( -2.877 1.800 -0.443) 3.422 10.577 ( -2.773 7.857 2.036) 8.577 10.884 ( -0.618 12.448 -1.024) 12.505 11.053 ( 9.925 1.286 -1.013) 10.059 11.287 ( 4.233 -2.552 -3.566) 6.095 11.392 ( -3.212 0.121 -0.057) 3.215 11.564 ( -6.433 2.863 -7.468) 10.264 11.751 ( 5.775 0.635 5.465) 7.976 12.031 ( -0.328 -4.546 -2.100) 5.019 12.066 ( -3.765 3.061 6.296) 7.949 12.487 ( -0.779 -1.773 3.335) 3.857 12.870 ( -0.973 -4.408 6.059) 7.555 12.968 ( -4.231 3.991 -0.017) 5.817 13.109 ( 4.809 -0.166 2.243) 5.309 13.219 ( 0.464 -1.493 1.649) 2.273 13.306 ( -2.970 1.126 -3.286) 4.570 13.967 ( -7.412 -5.675 6.576) 11.419 14.292 ( 9.208 -3.242 -4.280) 10.659 14.470 ( 4.543 -2.398 -4.286) 6.690 14.798 ( 5.545 0.984 -7.389) 9.290 15.004 ( 10.703 -0.361 -1.881) 10.873 15.223 ( -13.928 -2.863 8.889) 16.769 15.419 ( 1.524 -1.545 2.272) 3.142 15.713 ( 0.256 -0.031 -2.478) 2.491 15.974 ( -1.010 -0.494 6.644) 6.738 16.505 ( 7.342 -6.599 0.031) 9.872 16.581 ( -1.236 1.526 -1.967) 2.780 16.775 ( -9.491 2.709 7.201) 12.218 17.161 ( 1.175 3.198 -3.346) 4.775 17.342 ( 2.361 -2.307 -1.883) 3.801 17.364 ( 0.282 -1.428 -6.096) 6.267 17.990 ( -13.006 7.860 7.237) 16.832 18.289 ( -3.317 3.078 -1.409) 4.739 19.340 ( 13.419 2.560 -6.665) 15.200 19.621 ( -3.701 3.851 3.817) 6.565 21.426 ( 4.074 2.019 -1.010) 4.658 21.967 ( -0.012 1.834 1.580) 2.421 21.973 ( -3.266 0.638 0.852) 3.435 22.125 ( 0.304 -0.747 -4.786) 4.854 22.935 ( -2.211 -0.477 8.534) 8.829 23.395 ( 0.379 -10.477 -7.756) 13.041 ======================= Grid point 222 (103/172) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -12.525 16.633 21.374) 29.839 2.659 ( 18.038 23.651 3.619) 29.964 2.750 ( 9.596 27.883 -4.677) 29.857 4.173 ( -5.784 10.498 -0.284) 11.989 4.421 ( -5.552 8.979 5.284) 11.805 5.057 ( -18.507 9.241 -6.130) 21.575 5.683 ( 7.212 -8.402 -5.811) 12.505 5.786 ( -8.002 -4.041 6.213) 10.907 6.291 ( 6.518 -12.358 -0.720) 13.990 6.506 ( 7.228 -10.336 -7.523) 14.686 6.827 ( -3.723 -10.688 2.728) 11.642 7.367 ( -7.667 -6.370 -4.502) 10.938 7.629 ( -5.502 5.039 2.009) 7.726 8.044 ( -15.412 -2.119 3.987) 16.060 8.447 ( 4.527 11.374 -2.717) 12.539 8.564 ( 4.621 -3.315 12.171) 13.434 8.849 ( 2.415 -0.867 -12.907) 13.160 8.926 ( 5.744 3.020 -1.801) 6.735 9.220 ( 6.478 -0.962 -3.455) 7.405 9.352 ( -3.622 2.997 -1.478) 4.928 10.430 ( -2.239 5.595 2.431) 6.498 10.687 ( -0.113 8.602 -1.420) 8.719 10.985 ( -0.990 9.183 -0.216) 9.239 11.233 ( -13.551 3.374 -8.474) 16.335 11.430 ( 3.846 -3.028 3.423) 5.973 11.531 ( 3.246 -0.599 -5.647) 6.541 11.840 ( 6.767 -0.652 5.214) 8.567 11.937 ( -9.656 0.473 3.895) 10.422 12.142 ( 3.268 -4.905 -0.682) 5.933 12.480 ( -6.204 -0.931 1.439) 6.437 12.833 ( -1.095 3.950 10.313) 11.098 12.920 ( -9.477 0.708 6.806) 11.689 13.078 ( 1.463 -2.881 -12.689) 13.094 13.290 ( 1.775 -2.835 -5.333) 6.295 13.446 ( 15.156 -6.333 3.052) 16.707 13.998 ( -11.341 -7.918 7.670) 15.816 14.429 ( 6.603 -4.085 1.132) 7.846 14.672 ( 11.255 -7.689 -1.905) 13.763 14.834 ( 6.749 0.492 -8.342) 10.741 15.136 ( -12.777 -3.809 7.323) 15.212 15.156 ( 12.377 -0.473 -0.479) 12.396 15.497 ( 4.276 -2.807 3.206) 6.037 15.698 ( -1.937 0.346 -2.713) 3.352 15.973 ( -3.921 -1.038 5.845) 7.114 16.488 ( -2.555 5.830 -4.861) 8.009 16.573 ( -6.223 -1.068 -2.744) 6.884 16.754 ( 7.504 -0.118 12.435) 14.524 17.097 ( 1.701 5.329 -3.275) 6.482 17.316 ( -2.805 1.796 -1.823) 3.797 17.437 ( 6.891 -0.317 -6.312) 9.350 17.686 ( -15.563 7.939 7.054) 18.841 18.131 ( -7.769 6.978 -7.595) 12.912 19.385 ( 0.021 0.683 1.987) 2.101 19.543 ( -0.085 3.220 -2.389) 4.010 21.446 ( 6.648 2.585 2.293) 7.493 21.851 ( -5.275 5.392 1.318) 7.657 21.970 ( 1.161 1.051 2.496) 2.947 22.116 ( 0.778 1.669 -3.978) 4.383 22.991 ( 1.357 -4.678 7.733) 9.140 23.562 ( 1.355 -8.692 -9.104) 12.660 ======================= Grid point 223 (104/172) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -10.210 19.886 19.780) 29.848 2.342 ( 21.694 33.259 13.182) 41.840 2.615 ( 17.545 10.654 -14.349) 25.044 3.738 ( -15.545 22.184 5.753) 27.692 3.970 ( -21.479 21.487 5.550) 30.884 4.762 ( -8.181 4.204 -10.802) 14.187 5.794 ( -9.345 -6.246 9.624) 14.797 5.996 ( 7.258 -14.997 -6.944) 18.051 6.519 ( -10.661 -13.914 13.205) 21.946 6.779 ( 14.961 -10.938 -11.254) 21.683 7.082 ( 9.948 -11.121 -2.956) 15.211 7.383 ( -11.047 -7.779 -5.215) 14.483 7.579 ( 1.582 -1.769 1.028) 2.586 7.899 ( -15.604 -1.371 2.919) 15.934 8.329 ( 7.793 9.126 -1.444) 12.087 8.630 ( 1.717 3.903 6.423) 7.709 8.853 ( 0.106 -0.662 -7.374) 7.405 8.899 ( 2.277 3.373 -3.700) 5.500 9.222 ( -2.770 3.381 1.584) 4.649 9.317 ( 6.985 2.300 -7.620) 10.589 10.339 ( -0.683 3.489 2.874) 4.572 10.597 ( 3.916 4.037 -0.409) 5.639 10.794 ( -5.801 6.937 -1.162) 9.118 10.957 ( -11.476 8.252 -8.249) 16.366 11.461 ( -5.928 -1.165 2.196) 6.428 11.567 ( 3.527 0.919 -2.452) 4.393 11.835 ( 0.137 3.552 5.507) 6.554 11.944 ( 4.272 -1.327 -2.751) 5.251 12.282 ( 0.050 -7.888 3.262) 8.536 12.426 ( -4.719 -1.561 2.011) 5.362 12.690 ( -9.745 3.756 4.014) 11.188 12.916 ( -0.585 -3.944 14.628) 15.161 13.139 ( -0.679 -2.639 -14.164) 14.423 13.396 ( 4.800 -6.829 -7.257) 11.061 13.736 ( 15.476 -4.310 1.874) 16.174 13.990 ( -15.104 -7.764 5.782) 17.940 14.604 ( 7.177 -6.109 4.372) 10.389 14.852 ( -6.186 -4.931 2.579) 8.321 14.971 ( 16.027 -4.590 -4.131) 17.175 15.114 ( -1.937 -3.296 2.064) 4.345 15.296 ( 10.008 -1.171 -0.339) 10.082 15.597 ( -0.355 -2.439 1.903) 3.115 15.659 ( -1.356 -1.265 -0.253) 1.872 15.933 ( -7.364 -1.375 3.151) 8.127 16.351 ( -2.459 5.265 -1.086) 5.911 16.497 ( -4.281 2.156 -1.227) 4.948 16.849 ( 9.129 3.816 9.382) 13.635 17.013 ( 2.618 6.005 -2.871) 7.152 17.215 ( -5.310 4.241 -1.682) 7.000 17.413 ( -10.664 6.139 4.548) 13.119 17.508 ( 10.115 1.967 -7.168) 12.552 17.871 ( -9.167 8.881 -11.143) 16.943 19.307 ( -17.204 -1.704 10.212) 20.079 19.499 ( 7.796 5.703 -8.622) 12.948 21.489 ( 6.338 2.663 4.574) 8.257 21.685 ( -3.846 6.960 1.395) 8.073 21.977 ( 1.627 0.145 2.429) 2.927 22.079 ( 1.287 3.084 -2.518) 4.185 23.138 ( 3.218 -7.145 7.834) 11.080 23.688 ( 0.797 -6.102 -10.443) 12.121 ======================= Grid point 224 (105/172) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -5.367 19.136 18.983) 27.483 2.117 ( 28.551 27.721 18.425) 43.853 2.648 ( 18.342 7.908 -13.308) 24.001 3.208 ( -10.929 18.490 1.946) 21.567 3.349 ( -19.187 20.400 10.030) 29.748 4.651 ( -0.046 1.756 -17.409) 17.497 5.808 ( -8.480 -5.016 12.041) 15.558 6.274 ( -0.850 -13.358 -0.919) 13.416 6.667 ( -9.387 -15.678 8.219) 20.037 7.132 ( 12.315 -10.514 -4.533) 16.816 7.339 ( 3.840 -7.625 -0.624) 8.561 7.417 ( -2.291 -7.248 -3.977) 8.579 7.616 ( -2.797 0.348 0.633) 2.889 7.764 ( -9.044 -0.465 0.020) 9.056 8.311 ( 5.886 3.921 1.276) 7.187 8.503 ( -0.068 8.242 1.016) 8.305 8.841 ( -1.841 0.447 1.032) 2.157 8.882 ( 0.262 -0.142 -9.071) 9.075 9.121 ( -2.455 4.018 -1.800) 5.041 9.327 ( 6.897 4.566 -8.003) 11.509 10.296 ( 2.908 3.964 3.351) 5.950 10.546 ( -5.971 4.728 3.008) 8.189 10.690 ( 0.329 0.145 -11.214) 11.220 10.728 ( 4.230 7.024 -3.275) 8.829 11.395 ( -5.494 0.252 4.130) 6.878 11.565 ( 0.822 0.932 -2.203) 2.529 11.794 ( 2.355 3.919 4.126) 6.158 11.995 ( 2.345 -0.307 -4.311) 4.917 12.394 ( -2.046 -4.701 5.247) 7.336 12.443 ( -1.149 -2.986 6.353) 7.113 12.587 ( -4.487 -1.846 1.639) 5.121 13.014 ( -3.850 -6.215 16.267) 17.834 13.086 ( -5.294 1.777 -13.334) 14.456 13.586 ( 4.381 -8.784 -6.901) 11.999 13.883 ( -3.474 -2.954 6.807) 8.194 14.004 ( 0.523 -4.363 -0.514) 4.425 14.737 ( -10.570 -5.176 4.637) 12.650 14.894 ( 5.370 -6.744 2.471) 8.968 15.149 ( -1.825 0.123 -0.053) 1.829 15.203 ( 12.697 -1.524 -0.445) 12.796 15.446 ( 9.303 -3.326 0.247) 9.883 15.568 ( -7.315 -4.357 -4.220) 9.503 15.737 ( -1.224 -4.599 5.112) 6.984 15.901 ( -4.229 -3.771 0.379) 5.679 16.244 ( -1.749 4.745 1.934) 5.414 16.382 ( -2.645 6.491 -1.036) 7.086 16.834 ( 5.805 8.610 9.557) 14.113 16.967 ( 4.897 4.490 -0.424) 6.657 17.041 ( -10.029 4.753 -1.993) 11.276 17.254 ( -3.749 2.510 -0.664) 4.560 17.602 ( 18.057 4.842 -9.130) 20.806 17.619 ( -4.692 6.599 -11.137) 13.769 19.102 ( -21.697 0.583 11.879) 24.743 19.501 ( 10.089 4.155 -6.464) 12.683 21.441 ( -2.594 6.240 4.461) 8.097 21.590 ( 4.317 4.246 -0.639) 6.089 21.997 ( 0.831 1.063 1.491) 2.010 22.054 ( 1.844 0.061 -1.038) 2.116 23.313 ( 1.496 -7.175 8.883) 11.516 23.761 ( -0.320 -4.308 -10.785) 11.618 ======================= Grid point 227 (106/172) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 29.068 0.000 5.379) 29.562 2.725 ( 11.587 0.000 32.591) 34.590 3.103 ( 27.226 0.000 -22.000) 35.004 3.451 ( 21.926 0.000 -17.543) 28.080 4.135 ( 45.480 0.000 18.073) 48.939 4.607 ( 1.343 0.000 -10.903) 10.985 5.596 ( -7.141 -0.000 2.986) 7.740 6.623 ( -3.462 -0.000 13.610) 14.044 6.760 ( -17.039 -0.000 -0.437) 17.045 6.902 ( -9.736 -0.000 -6.357) 11.628 7.209 ( -5.320 -0.000 7.729) 9.383 7.489 ( -11.220 -0.000 2.358) 11.465 7.755 ( 15.922 0.000 -7.476) 17.590 8.028 ( 8.769 0.000 2.467) 9.109 8.043 ( 0.297 0.000 -6.245) 6.252 8.419 ( -8.104 -0.000 10.076) 12.930 8.785 ( -1.918 -0.000 -7.960) 8.188 8.897 ( 1.246 0.000 -4.770) 4.930 9.167 ( 1.369 0.000 -11.509) 11.590 9.172 ( 5.561 0.000 -2.340) 6.033 10.374 ( 7.038 0.000 -2.986) 7.645 10.500 ( 5.321 0.000 -2.329) 5.808 11.023 ( 19.921 0.000 0.914) 19.942 11.457 ( 8.863 0.000 2.746) 9.279 11.684 ( 14.208 0.000 -0.015) 14.208 11.734 ( -6.972 -0.000 -5.588) 8.936 11.779 ( 4.609 0.000 8.631) 9.784 11.988 ( 9.865 0.000 0.473) 9.876 12.312 ( -3.774 -0.000 4.648) 5.987 12.523 ( -2.196 -0.000 10.987) 11.204 12.727 ( 4.514 0.000 -1.270) 4.689 12.986 ( 2.791 0.000 2.250) 3.585 13.212 ( 11.428 0.000 -0.093) 11.428 13.536 ( -12.478 -0.000 2.473) 12.721 13.625 ( -8.333 -0.000 -2.575) 8.722 13.706 ( -13.135 -0.000 5.139) 14.105 14.482 ( -16.349 -0.000 1.848) 16.453 14.843 ( 4.632 0.000 -9.015) 10.136 15.051 ( -11.223 -0.000 3.731) 11.827 15.255 ( -4.691 -0.000 6.940) 8.376 15.416 ( -2.630 -0.000 -4.487) 5.200 15.510 ( -4.008 -0.000 -1.242) 4.196 15.707 ( -3.877 -0.000 3.015) 4.912 15.795 ( -5.497 -0.000 4.826) 7.315 16.274 ( -7.766 -0.000 -5.043) 9.260 16.343 ( 5.369 0.000 -3.531) 6.426 16.355 ( 2.562 0.000 0.595) 2.630 16.910 ( -0.570 -0.000 4.892) 4.925 17.136 ( 3.437 0.000 -1.435) 3.724 17.456 ( -4.597 -0.000 -4.429) 6.384 17.550 ( 14.605 0.000 8.552) 16.925 18.448 ( 25.465 0.000 -3.183) 25.663 19.113 ( 14.506 0.000 -13.935) 20.115 20.098 ( 14.440 0.000 13.102) 19.498 21.204 ( -1.970 -0.000 3.291) 3.836 21.581 ( 1.057 0.000 -2.958) 3.141 21.977 ( 0.180 0.000 1.595) 1.605 22.042 ( -1.251 -0.000 -3.791) 3.992 22.981 ( -19.067 -0.000 -1.162) 19.103 23.520 ( -12.036 -0.000 -4.612) 12.889 ======================= Grid point 228 (107/172) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 27.655 -1.835 -0.708) 27.724 3.001 ( 13.312 -8.559 27.171) 31.444 3.366 ( 25.882 2.003 -10.933) 28.168 3.665 ( 21.358 2.311 -20.168) 29.466 4.607 ( 6.887 0.402 -0.210) 6.902 4.731 ( 31.963 -8.086 12.201) 35.155 5.523 ( -4.199 1.425 -1.716) 4.755 6.298 ( -3.290 19.892 4.263) 20.608 6.529 ( -11.740 12.450 7.773) 18.795 6.831 ( -14.093 -6.724 -3.480) 15.998 7.163 ( -13.053 4.445 1.611) 13.883 7.450 ( -6.889 -12.191 1.918) 14.134 7.913 ( 6.471 -0.102 -6.922) 9.476 7.994 ( 12.049 5.031 -4.094) 13.684 8.160 ( 4.833 -3.591 3.809) 7.125 8.384 ( -8.710 -3.611 6.528) 11.469 8.735 ( -1.419 0.837 -7.820) 7.992 8.923 ( 0.238 -1.989 -3.412) 3.957 9.090 ( 3.576 5.098 -6.339) 8.886 9.327 ( 2.649 -6.745 -5.190) 8.913 10.484 ( 10.921 -1.272 -2.059) 11.186 10.560 ( 2.239 -2.191 -2.125) 3.785 11.259 ( 19.764 0.046 1.956) 19.861 11.546 ( 6.401 0.610 3.928) 7.535 11.621 ( -3.185 3.820 -1.679) 5.249 11.733 ( 9.749 8.225 1.399) 12.832 11.844 ( 3.224 -0.365 2.477) 4.082 12.156 ( 1.058 -3.209 6.256) 7.110 12.285 ( 8.617 3.047 -4.489) 10.183 12.499 ( -5.678 -0.361 11.178) 12.543 12.769 ( 1.820 -1.683 0.085) 2.481 12.951 ( 4.879 9.169 0.177) 10.388 13.308 ( 0.994 1.350 1.769) 2.437 13.390 ( -7.313 3.017 2.325) 8.245 13.520 ( -2.410 2.173 -3.024) 4.436 13.638 ( -4.999 -5.493 3.017) 8.017 14.262 ( -15.715 3.478 1.649) 16.180 14.806 ( -1.093 1.579 -13.268) 13.406 14.952 ( -13.361 -0.500 2.448) 13.592 15.235 ( -5.749 -1.688 5.483) 8.122 15.375 ( 4.750 4.728 -0.802) 6.750 15.518 ( -1.414 -6.532 2.365) 7.089 15.571 ( -8.537 5.831 4.956) 11.465 15.776 ( -4.749 -1.616 1.631) 5.275 16.143 ( -3.314 3.549 -3.825) 6.181 16.335 ( 2.222 -2.260 -2.047) 3.772 16.555 ( 0.985 -9.757 0.201) 9.808 16.950 ( -0.565 -4.432 3.910) 5.937 17.146 ( -1.967 -1.069 -2.694) 3.503 17.397 ( -7.271 -1.814 -2.110) 7.785 17.775 ( 18.799 -1.342 8.672) 20.746 18.763 ( 27.045 -0.436 -2.167) 27.135 19.152 ( 10.400 8.952 -14.949) 20.292 20.218 ( 10.432 6.538 15.562) 19.843 21.230 ( -1.003 -4.304 2.963) 5.321 21.648 ( 0.592 -6.594 -3.000) 7.268 21.989 ( -0.250 -1.066 -1.281) 1.685 22.027 ( -0.790 -0.408 -3.276) 3.394 22.780 ( -18.250 -3.682 -1.901) 18.715 23.356 ( -11.966 1.899 -3.776) 12.691 ======================= Grid point 229 (108/172) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 23.220 -5.616 -5.654) 24.549 3.305 ( 6.998 -3.658 15.066) 17.010 3.628 ( 23.266 -2.276 8.961) 25.036 3.790 ( 22.539 6.672 -19.308) 30.419 4.625 ( 5.935 7.752 1.971) 9.960 5.196 ( 17.561 -7.450 8.026) 20.696 5.449 ( 0.773 2.275 -1.125) 2.653 6.010 ( 1.899 11.551 -3.049) 12.097 6.208 ( -5.078 13.273 9.324) 16.997 6.741 ( -18.337 -4.906 -0.315) 18.985 6.854 ( -14.529 9.838 -3.410) 17.874 7.537 ( -9.859 -5.727 -4.528) 12.267 7.975 ( 4.217 -4.652 -0.616) 6.308 8.083 ( 10.479 3.506 1.597) 11.164 8.255 ( -6.800 -2.536 4.772) 8.686 8.380 ( 4.383 -3.716 2.658) 6.331 8.716 ( -0.071 -1.241 -10.271) 10.346 8.949 ( 0.198 -1.135 -1.739) 2.086 9.045 ( 3.298 3.771 -4.625) 6.818 9.423 ( -1.276 -3.952 -3.623) 5.511 10.609 ( 1.771 -3.451 -2.047) 4.386 10.686 ( 13.073 -4.222 -0.649) 13.754 11.436 ( 11.950 3.282 1.265) 12.457 11.485 ( -0.105 7.598 2.797) 8.097 11.589 ( 4.392 4.455 0.830) 6.311 11.750 ( 12.804 3.999 1.850) 13.540 11.874 ( 4.145 0.549 -3.603) 5.519 12.039 ( -7.440 8.084 5.002) 12.072 12.363 ( 4.258 2.130 -2.445) 5.352 12.466 ( -2.272 0.344 10.753) 10.996 12.756 ( -2.891 6.396 6.068) 9.278 12.906 ( 6.349 -2.041 -3.639) 7.597 13.227 ( -4.331 1.794 -1.144) 4.826 13.266 ( -3.876 3.654 5.284) 7.503 13.476 ( 0.347 3.654 -2.707) 4.561 13.772 ( 0.418 -7.671 4.032) 8.676 14.071 ( -7.433 0.245 -2.473) 7.837 14.715 ( -5.464 4.912 -11.889) 13.976 14.810 ( -6.747 -0.874 -2.185) 7.146 15.153 ( -3.370 4.609 1.546) 5.915 15.327 ( -2.952 5.224 6.132) 8.579 15.395 ( -8.588 0.052 2.254) 8.879 15.685 ( 2.459 -4.416 0.837) 5.124 15.782 ( -0.442 -7.308 3.616) 8.165 16.093 ( 2.185 0.993 -0.882) 2.557 16.417 ( -0.756 -5.497 -0.333) 5.558 16.704 ( -4.172 -8.877 1.508) 9.924 17.047 ( -1.052 -6.578 1.759) 6.890 17.145 ( -1.277 -2.061 -2.586) 3.545 17.341 ( -7.223 -1.779 -2.338) 7.798 18.023 ( 16.489 -1.404 6.855) 17.912 18.895 ( 9.153 16.018 -1.857) 18.542 19.166 ( 20.127 -0.579 -11.066) 22.976 20.146 ( 2.359 12.370 13.245) 18.276 21.325 ( 1.518 -5.079 1.917) 5.637 21.779 ( 0.298 -7.297 -2.355) 7.674 21.992 ( -1.305 -1.134 -6.096) 6.336 22.033 ( 0.005 -1.350 -1.894) 2.325 22.731 ( -12.119 -10.981 1.197) 16.397 23.178 ( -11.252 2.168 -3.094) 11.869 ======================= Grid point 230 (109/172) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 7.102 0.942 1.676) 7.357 3.345 ( 7.364 4.174 7.910) 11.585 3.889 ( 29.383 11.146 -8.812) 32.638 4.034 ( 18.738 -8.239 7.470) 21.790 4.429 ( 5.360 18.984 4.071) 20.141 5.391 ( -0.763 -3.158 1.051) 3.414 5.541 ( 10.606 -4.867 -3.598) 12.212 5.855 ( -5.555 5.720 -6.672) 10.397 6.038 ( 4.579 6.691 10.199) 13.029 6.500 ( -14.258 8.358 -4.903) 17.239 6.611 ( -16.784 -2.441 -0.333) 16.963 7.440 ( -11.744 0.129 -5.204) 12.846 8.053 ( -1.251 6.990 2.105) 7.406 8.063 ( -8.255 -3.377 3.386) 9.540 8.257 ( 4.630 -4.311 7.660) 9.935 8.576 ( 9.720 -5.156 1.799) 11.149 8.739 ( 1.825 -2.686 -13.481) 13.866 8.962 ( 0.308 -0.401 -1.059) 1.173 9.014 ( 3.066 2.782 -4.394) 6.037 9.432 ( -4.368 -1.901 -1.476) 4.988 10.679 ( 0.256 -2.905 0.796) 3.023 10.949 ( 15.964 -6.100 -0.303) 17.092 11.347 ( 1.611 8.374 -1.522) 8.662 11.383 ( 3.789 11.718 -1.078) 12.362 11.575 ( 5.401 6.113 4.257) 9.201 11.715 ( -4.540 6.789 -4.924) 9.536 11.827 ( -5.734 4.422 3.433) 8.013 11.990 ( 15.129 1.125 -0.481) 15.179 12.285 ( -2.954 6.962 10.116) 12.630 12.460 ( 5.243 2.554 -2.684) 6.420 12.673 ( -6.874 -3.614 7.365) 10.704 13.014 ( 6.785 -1.559 -2.939) 7.556 13.168 ( -0.026 2.358 1.708) 2.912 13.238 ( -0.055 -0.552 2.321) 2.386 13.362 ( -5.664 4.821 -1.502) 7.587 13.799 ( -11.237 -4.544 5.500) 13.310 14.133 ( 5.836 -4.980 -3.979) 8.643 14.530 ( -7.707 3.866 -5.078) 10.007 14.819 ( 6.988 -0.181 -7.977) 10.607 15.050 ( -3.768 1.895 -1.891) 4.622 15.189 ( -5.616 3.183 9.971) 11.878 15.370 ( -2.099 -1.862 0.650) 2.880 15.706 ( 0.464 -0.179 -4.583) 4.610 15.934 ( -1.523 -4.018 7.445) 8.596 16.208 ( 9.088 -7.632 -0.018) 11.867 16.494 ( -1.933 -4.894 2.776) 5.949 16.751 ( -10.328 -5.282 2.504) 11.868 17.137 ( -2.529 -5.437 -0.955) 6.071 17.198 ( 2.371 -3.886 -2.292) 5.097 17.297 ( -4.832 -2.050 -2.823) 5.960 18.189 ( 9.703 2.012 4.317) 10.809 18.617 ( 0.194 18.100 -1.542) 18.167 19.407 ( 19.610 0.251 -7.527) 21.006 19.921 ( -4.158 12.853 9.108) 16.292 21.429 ( 4.307 -2.563 0.873) 5.087 21.882 ( -0.445 -4.855 -1.260) 5.036 21.992 ( -1.251 -1.277 -3.579) 4.001 22.063 ( 0.791 -1.859 -2.367) 3.112 22.844 ( -7.066 -11.329 3.815) 13.886 23.041 ( -8.952 -2.719 -4.797) 10.514 ======================= Grid point 231 (110/172) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -4.769 12.754 19.048) 23.415 3.366 ( 16.189 13.677 -1.352) 21.236 3.826 ( 15.636 26.504 -4.888) 31.158 4.297 ( 16.409 0.137 2.768) 16.641 4.416 ( 14.238 -1.489 5.338) 15.278 5.287 ( -15.641 3.760 -4.202) 16.627 5.664 ( -5.471 2.504 -1.230) 6.142 5.762 ( 2.791 -2.079 -3.533) 4.959 6.025 ( -2.748 -1.956 3.478) 4.845 6.284 ( -1.117 1.889 -8.686) 8.959 6.524 ( -5.595 -5.606 1.168) 8.006 7.278 ( -13.395 0.385 -3.109) 13.756 7.861 ( -7.335 6.787 2.582) 10.322 7.994 ( -10.134 0.276 5.380) 11.477 8.424 ( 7.377 -3.718 10.084) 13.036 8.710 ( 3.373 0.369 -1.189) 3.595 8.788 ( 3.919 -1.348 -15.946) 16.476 8.977 ( 2.300 -0.187 -1.738) 2.889 9.057 ( 5.429 -3.929 -2.543) 7.168 9.399 ( -5.562 -0.969 -0.044) 5.646 10.688 ( 1.073 3.806 3.464) 5.257 11.135 ( 2.140 13.566 1.441) 13.809 11.226 ( -3.087 4.876 -5.178) 7.753 11.259 ( 15.607 -0.474 -0.737) 15.631 11.468 ( -4.140 5.117 -1.256) 6.701 11.551 ( 0.558 5.331 -0.744) 5.411 11.753 ( -3.708 -0.390 1.213) 3.921 12.023 ( 0.410 6.183 6.455) 8.947 12.226 ( 8.999 4.624 2.313) 10.378 12.458 ( -1.261 0.693 -0.372) 1.486 12.735 ( -0.673 -6.515 1.644) 6.753 13.057 ( -1.725 6.650 0.843) 6.921 13.158 ( 1.861 0.016 2.249) 2.919 13.208 ( -0.503 0.702 -1.107) 1.405 13.275 ( 1.021 -2.527 -1.042) 2.917 13.771 ( -10.747 -5.642 5.174) 13.194 14.269 ( 2.491 -4.973 0.660) 5.601 14.461 ( 1.001 -2.849 -2.001) 3.622 14.885 ( 5.592 1.318 -8.488) 10.250 14.971 ( -10.856 -2.710 -0.539) 11.202 15.205 ( 12.523 0.650 5.523) 13.702 15.401 ( 0.386 -2.596 1.962) 3.277 15.703 ( -0.337 -0.033 -4.404) 4.418 15.944 ( -3.820 -0.751 5.526) 6.759 16.437 ( 2.724 -6.505 -3.764) 7.994 16.566 ( 1.272 -2.764 2.587) 3.994 16.687 ( -8.781 -2.935 8.741) 12.733 17.173 ( -1.569 -1.718 -1.850) 2.973 17.293 ( -1.694 -2.692 -0.214) 3.188 17.312 ( 1.861 -5.482 -6.254) 8.523 18.110 ( -1.497 14.173 3.450) 14.664 18.363 ( -0.361 9.210 -2.660) 9.593 19.525 ( 7.383 6.276 -0.136) 9.691 19.708 ( -0.095 6.120 0.762) 6.167 21.514 ( 6.623 0.221 1.263) 6.746 21.927 ( -2.660 -1.669 -0.956) 3.282 21.988 ( -0.006 0.191 1.038) 1.055 22.103 ( 1.335 -1.704 -3.811) 4.383 22.872 ( -6.114 -2.733 6.089) 9.051 23.139 ( -3.403 -14.474 -7.473) 16.641 ======================= Grid point 232 (111/172) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -3.256 17.751 21.730) 28.247 3.229 ( 15.611 21.189 -7.514) 27.371 3.517 ( 22.602 30.622 3.822) 38.252 4.341 ( 1.582 11.310 -0.526) 11.432 4.509 ( -1.288 5.164 5.459) 7.624 4.939 ( -23.277 6.483 -4.060) 24.502 5.612 ( -3.584 -3.213 0.920) 4.901 5.684 ( -4.314 0.102 1.625) 4.611 6.116 ( -6.781 -8.491 4.660) 11.824 6.385 ( 9.923 -10.337 -15.710) 21.263 6.720 ( 13.601 -8.837 -1.327) 16.275 7.132 ( -14.753 -3.408 -3.071) 15.450 7.696 ( -1.686 5.876 4.073) 7.345 7.862 ( -12.770 0.169 5.447) 13.884 8.578 ( 5.225 -2.490 10.912) 12.352 8.643 ( 2.031 6.393 -3.321) 7.485 8.847 ( 3.987 -1.509 -15.510) 16.085 9.001 ( 1.047 -0.163 -3.449) 3.608 9.214 ( 5.270 -4.736 -0.428) 7.098 9.337 ( -4.782 0.647 -0.316) 4.836 10.589 ( 2.997 9.828 3.430) 10.832 10.890 ( 1.382 13.249 0.658) 13.337 11.042 ( -10.452 6.145 -3.663) 12.666 11.232 ( -3.672 7.473 -4.643) 9.534 11.479 ( 4.263 1.666 5.476) 7.137 11.606 ( 13.645 -0.471 -3.280) 14.041 11.736 ( -6.530 -5.628 0.509) 8.636 11.955 ( 2.028 3.027 6.791) 7.706 12.212 ( 0.948 3.688 -2.037) 4.319 12.411 ( -2.115 1.593 -0.775) 2.759 12.809 ( -5.914 -1.499 5.103) 7.954 12.911 ( -3.087 5.636 7.839) 10.136 13.074 ( 0.382 0.854 -8.792) 8.841 13.242 ( 0.663 -2.876 -3.434) 4.528 13.506 ( 15.597 -7.594 0.866) 17.369 13.751 ( -12.102 -6.116 5.152) 14.505 14.396 ( 3.830 -5.810 5.074) 8.612 14.589 ( -1.835 -8.077 3.489) 8.988 14.887 ( -5.986 -4.489 -0.489) 7.498 14.939 ( 4.315 -0.323 -10.727) 11.567 15.366 ( 14.459 2.378 1.717) 14.753 15.490 ( 4.404 -4.410 4.938) 7.951 15.677 ( -1.791 1.166 -3.643) 4.224 15.898 ( -7.733 -0.619 3.856) 8.663 16.455 ( -8.365 -0.483 -0.640) 8.404 16.513 ( -3.422 0.409 -2.654) 4.350 16.835 ( 9.190 -4.895 11.421) 15.455 17.161 ( -0.557 1.239 -2.233) 2.614 17.292 ( -2.657 -0.055 -1.434) 3.020 17.430 ( 2.713 -5.344 -6.825) 9.083 17.803 ( -2.634 15.754 4.684) 16.645 18.184 ( -3.513 9.192 -7.891) 12.613 19.383 ( -8.375 6.298 11.533) 15.582 19.693 ( 8.330 4.459 -8.975) 13.032 21.579 ( 7.429 1.943 2.889) 8.205 21.867 ( -4.005 3.115 -0.613) 5.110 21.995 ( 0.580 0.220 2.570) 2.643 22.133 ( 1.609 -0.367 -4.428) 4.725 22.906 ( -2.357 -5.829 7.365) 9.684 23.344 ( -1.864 -13.119 -8.920) 15.973 ======================= Grid point 233 (112/172) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.379 21.655 17.767) 28.013 3.000 ( 13.466 21.002 -14.576) 28.894 3.320 ( 31.281 29.508 10.313) 44.222 3.944 ( -13.521 21.358 -12.354) 28.136 4.176 ( -12.971 21.738 16.317) 30.117 4.654 ( -14.857 -0.806 1.101) 14.919 5.614 ( -5.943 -4.433 4.253) 8.548 5.818 ( 1.003 -10.852 -0.618) 10.916 6.185 ( -9.510 -11.282 6.615) 16.171 6.743 ( 17.900 -12.801 -14.463) 26.334 7.006 ( -2.337 -9.002 -2.515) 9.635 7.104 ( 3.406 -8.196 -6.304) 10.887 7.650 ( 4.813 2.564 5.959) 8.078 7.731 ( -10.897 -0.330 4.122) 11.655 8.524 ( 2.342 6.721 -1.569) 7.288 8.694 ( 1.953 -0.211 9.306) 9.511 8.852 ( 1.416 1.542 -14.471) 14.622 8.976 ( -0.254 2.832 -3.452) 4.473 9.223 ( -4.575 1.539 1.242) 4.984 9.370 ( 5.088 -2.306 -3.815) 6.765 10.468 ( 3.692 8.165 4.106) 9.857 10.748 ( 4.041 6.294 -4.384) 8.669 10.794 ( -9.149 7.752 1.593) 12.097 11.043 ( -2.294 8.490 -6.528) 10.953 11.447 ( -2.688 3.422 5.991) 7.405 11.659 ( 4.314 3.814 -2.882) 6.439 11.840 ( 2.361 -3.578 1.213) 4.456 11.965 ( 1.167 -1.681 -1.868) 2.771 12.206 ( 1.206 -3.816 5.371) 6.698 12.372 ( 0.483 1.914 -2.119) 2.896 12.654 ( -11.493 3.678 5.304) 13.181 12.845 ( -3.804 0.330 12.200) 12.784 13.138 ( 6.056 -1.335 -11.021) 12.646 13.314 ( 1.736 -5.303 -6.071) 8.245 13.720 ( -12.403 -6.418 5.363) 14.960 13.828 ( 15.787 -6.392 0.422) 17.037 14.552 ( -0.449 -4.216 6.195) 7.507 14.624 ( -11.663 -8.744 7.762) 16.515 14.957 ( -0.429 -7.253 -5.695) 9.232 15.066 ( 10.113 -5.304 -6.593) 13.186 15.437 ( 4.841 2.407 1.221) 5.542 15.606 ( -1.831 2.188 -4.152) 5.038 15.637 ( 7.394 -1.019 7.423) 10.527 15.817 ( -8.528 -1.534 1.481) 8.791 16.349 ( -7.095 1.223 2.259) 7.546 16.489 ( -0.562 0.176 -1.946) 2.033 17.013 ( 9.317 -0.957 9.545) 13.372 17.106 ( -0.739 4.020 -2.097) 4.594 17.207 ( -5.926 4.013 -1.280) 7.271 17.465 ( -0.549 5.188 -1.358) 5.391 17.638 ( 6.207 2.685 -3.198) 7.481 17.955 ( -0.152 10.928 -11.623) 15.954 19.186 ( -13.034 4.598 13.749) 19.495 19.679 ( 7.114 5.277 -8.492) 12.271 21.612 ( 2.859 3.130 4.089) 5.889 21.760 ( 0.264 4.981 -0.327) 4.999 21.999 ( 0.413 0.303 2.192) 2.251 22.133 ( 1.634 1.711 -3.924) 4.582 23.035 ( 0.251 -8.250 9.016) 12.224 23.506 ( -2.718 -10.024 -10.623) 14.857 ======================= Grid point 234 (113/172) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 4.325 23.035 11.493) 26.103 2.780 ( 12.633 18.728 -10.619) 24.962 3.195 ( 17.875 22.568 4.858) 29.197 3.418 ( -0.763 19.707 -21.448) 29.137 3.691 ( 1.410 26.408 30.304) 40.221 4.589 ( -6.124 -4.240 -1.955) 7.701 5.651 ( -3.920 -5.379 4.113) 7.824 5.956 ( -13.574 -13.101 9.247) 21.009 6.354 ( -1.340 -14.131 -0.892) 14.222 7.018 ( -5.200 -8.682 -2.374) 10.395 7.198 ( 12.870 -14.774 -13.811) 23.972 7.319 ( 6.924 -3.688 -0.743) 7.880 7.657 ( -4.529 -1.140 1.468) 4.896 7.708 ( 7.704 1.257 6.004) 9.848 8.430 ( -1.625 6.727 2.375) 7.316 8.644 ( 1.445 5.469 -0.722) 5.703 8.812 ( -2.580 1.065 -2.791) 3.947 8.916 ( 0.796 2.688 -6.222) 6.825 9.138 ( -3.741 2.673 -1.155) 4.741 9.435 ( 4.697 0.878 -5.566) 7.336 10.413 ( 3.195 4.457 4.498) 7.092 10.570 ( -5.388 6.009 -2.076) 8.333 10.758 ( 7.936 3.688 -3.531) 9.437 10.905 ( 6.259 5.873 -5.280) 10.077 11.372 ( -2.895 0.914 4.909) 5.772 11.599 ( -1.684 2.687 -1.899) 3.696 11.878 ( 4.024 2.032 0.130) 4.510 12.041 ( 4.832 -0.886 -3.707) 6.155 12.304 ( -3.285 -1.728 5.408) 6.560 12.371 ( 2.304 -5.015 2.548) 6.078 12.535 ( -5.525 -0.550 6.193) 8.318 12.813 ( -7.918 -1.671 12.504) 14.894 13.174 ( 5.313 2.284 -9.087) 10.771 13.449 ( 1.489 -8.608 -7.282) 11.373 13.698 ( -10.130 -5.417 4.183) 12.225 14.053 ( 7.063 -1.439 4.638) 8.572 14.508 ( -12.457 -6.249 2.587) 14.175 14.761 ( -0.880 -8.145 3.477) 8.900 15.078 ( -0.959 -7.014 -5.685) 9.079 15.215 ( -4.618 -5.106 1.936) 7.152 15.444 ( 6.178 -2.076 -3.848) 7.569 15.593 ( 8.054 3.217 -3.870) 9.497 15.667 ( -5.611 0.160 5.234) 7.675 15.811 ( -0.757 -2.741 4.986) 5.740 16.249 ( -7.285 1.864 3.880) 8.462 16.477 ( 2.795 3.058 -1.342) 4.355 16.986 ( -5.156 5.400 -3.609) 8.293 17.057 ( -2.239 5.946 0.465) 6.370 17.111 ( 8.976 3.240 9.323) 13.341 17.341 ( 2.007 8.592 1.070) 8.888 17.622 ( -4.232 1.794 -10.413) 11.383 17.898 ( 20.668 5.427 -11.836) 24.427 18.975 ( -13.567 3.962 13.477) 19.529 19.668 ( 7.623 3.706 -5.154) 9.921 21.518 ( -4.023 5.782 2.589) 7.505 21.729 ( 6.136 4.590 0.398) 7.673 22.009 ( 0.553 -0.563 1.074) 1.333 22.102 ( 1.214 2.860 -2.870) 4.229 23.197 ( -1.034 -7.804 9.982) 12.713 23.594 ( -4.919 -7.431 -11.161) 14.282 ======================= Grid point 238 (114/172) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 24.533 0.000 -1.617) 24.586 3.127 ( 14.700 0.000 27.177) 30.898 3.640 ( 19.986 0.000 -1.834) 20.070 3.937 ( 24.895 0.000 -20.712) 32.384 4.683 ( 9.310 0.000 -1.308) 9.402 5.041 ( 26.662 0.000 8.383) 27.948 5.507 ( -0.144 -0.000 -5.143) 5.145 6.354 ( -17.891 -0.000 2.183) 18.024 6.537 ( -11.933 -0.000 0.945) 11.971 6.669 ( -2.657 -0.000 5.510) 6.117 7.144 ( -2.359 -0.000 4.549) 5.124 7.167 ( -14.991 -0.000 -0.837) 15.014 7.888 ( -5.649 -0.000 -3.298) 6.542 8.179 ( 1.444 0.000 -0.488) 1.524 8.220 ( 18.071 0.000 -6.436) 19.183 8.286 ( -3.100 -0.000 8.599) 9.141 8.722 ( -0.461 -0.000 -5.203) 5.223 8.910 ( 1.848 0.000 -3.808) 4.232 9.147 ( -1.210 -0.000 -10.509) 10.579 9.289 ( 3.817 0.000 -0.539) 3.855 10.552 ( 0.997 0.000 -2.485) 2.677 10.613 ( 13.300 0.000 -0.916) 13.331 11.496 ( 19.307 0.000 2.589) 19.480 11.575 ( -4.527 -0.000 -0.980) 4.632 11.644 ( 6.490 0.000 1.794) 6.733 11.892 ( 2.620 0.000 7.965) 8.385 11.895 ( 3.454 0.000 4.725) 5.853 12.225 ( 9.769 0.000 -0.799) 9.802 12.398 ( 9.244 0.000 -6.219) 11.141 12.409 ( -11.204 -0.000 11.901) 16.345 12.753 ( 0.374 0.000 -3.167) 3.189 13.096 ( 3.999 0.000 -4.679) 6.155 13.269 ( -9.527 -0.000 5.076) 10.794 13.381 ( -5.752 -0.000 3.987) 6.999 13.551 ( 4.309 0.000 1.325) 4.508 13.562 ( 6.294 0.000 -0.788) 6.343 14.133 ( -14.372 -0.000 1.966) 14.506 14.684 ( -10.410 -0.000 -6.907) 12.492 14.869 ( -6.519 -0.000 -4.458) 7.898 15.131 ( -7.540 -0.000 7.521) 10.650 15.380 ( -6.707 -0.000 0.041) 6.708 15.502 ( 1.330 0.000 0.278) 1.358 15.618 ( 2.060 0.000 1.152) 2.361 15.684 ( -5.375 -0.000 5.017) 7.353 16.091 ( -3.393 -0.000 -4.230) 5.422 16.412 ( 1.556 0.000 -4.329) 4.601 16.430 ( 0.541 0.000 2.366) 2.427 16.904 ( -1.142 -0.000 3.903) 4.066 17.100 ( -3.683 -0.000 -1.622) 4.024 17.282 ( -8.722 -0.000 0.506) 8.737 18.005 ( 19.845 0.000 7.238) 21.124 19.086 ( 28.947 0.000 -3.222) 29.126 19.329 ( 9.009 0.000 -16.488) 18.789 20.434 ( 8.774 0.000 20.491) 22.291 21.174 ( -1.615 -0.000 3.736) 4.070 21.574 ( -0.952 -0.000 -3.233) 3.370 21.980 ( -0.154 -0.000 0.074) 0.171 22.009 ( -0.652 -0.000 -3.063) 3.131 22.514 ( -18.599 -0.000 -6.047) 19.557 23.222 ( -12.508 -0.000 -4.549) 13.310 ======================= Grid point 239 (115/172) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 18.916 -0.851 -0.107) 18.936 3.375 ( 11.794 -2.782 21.172) 24.395 3.849 ( 17.885 -0.805 7.527) 19.421 4.159 ( 25.734 3.271 -18.329) 31.763 4.801 ( 11.362 2.218 -2.600) 11.865 5.286 ( 9.148 -1.563 2.176) 9.532 5.501 ( 3.755 0.954 -5.077) 6.387 6.100 ( -10.979 6.516 -0.694) 12.786 6.394 ( -15.471 1.468 5.628) 16.528 6.566 ( 3.828 9.363 4.965) 11.269 6.830 ( -15.568 9.355 -3.625) 18.520 7.304 ( -5.978 -9.732 -1.418) 11.509 7.864 ( -4.997 -5.722 1.769) 7.800 8.158 ( -5.777 -1.508 3.551) 6.947 8.259 ( 5.875 4.744 3.350) 8.260 8.445 ( 14.751 -2.363 -3.781) 15.410 8.711 ( 1.650 0.853 -5.747) 6.039 8.935 ( 1.186 -0.713 -2.900) 3.213 9.090 ( -1.994 1.080 -7.055) 7.410 9.341 ( -1.104 -2.539 -2.327) 3.617 10.579 ( 2.074 -1.685 -0.799) 2.789 10.791 ( 14.418 -2.220 -0.625) 14.601 11.505 ( -3.901 1.864 -2.389) 4.940 11.666 ( 12.124 3.517 5.267) 13.678 11.724 ( 7.740 1.568 1.306) 8.004 11.890 ( -2.512 2.835 5.395) 6.592 11.921 ( 5.751 1.932 3.580) 7.044 12.244 ( 9.323 8.906 -2.005) 13.048 12.310 ( -11.697 -3.257 10.400) 15.987 12.486 ( 6.474 0.762 -5.168) 8.319 12.820 ( 3.883 -4.461 -3.962) 7.119 12.980 ( -2.954 9.328 2.140) 10.016 13.196 ( -4.725 -0.742 0.126) 4.785 13.310 ( -0.860 3.931 2.578) 4.779 13.576 ( 3.827 4.494 -0.785) 5.955 13.667 ( -0.925 -2.334 5.027) 5.619 13.991 ( -4.913 -1.487 -2.862) 5.877 14.589 ( -15.621 -3.085 3.361) 16.274 14.770 ( 2.739 2.341 -13.149) 13.634 15.126 ( -4.604 -4.456 5.476) 8.429 15.305 ( -7.401 0.709 -0.528) 7.454 15.378 ( -8.627 6.075 5.527) 11.911 15.675 ( 2.473 -4.908 2.464) 6.023 15.694 ( 2.459 -0.658 -4.615) 5.270 16.103 ( 2.636 -1.676 1.730) 3.571 16.373 ( 0.749 0.370 -0.294) 0.885 16.516 ( -4.399 -6.464 0.066) 7.819 16.932 ( -1.834 -4.182 2.401) 5.159 17.077 ( -2.900 -2.460 -0.663) 3.860 17.207 ( -8.128 -2.443 0.305) 8.493 18.231 ( 17.739 0.632 5.575) 18.606 19.264 ( 3.958 10.968 -15.594) 19.471 19.403 ( 27.863 3.104 -0.888) 28.049 20.414 ( 0.319 12.319 18.376) 22.125 21.239 ( 0.723 -6.942 4.887) 8.521 21.630 ( -1.120 -7.941 -4.147) 9.028 21.962 ( -1.411 0.765 -4.186) 4.483 22.009 ( -0.103 -1.230 -1.832) 2.209 22.402 ( -11.717 -8.979 -2.917) 15.047 23.060 ( -12.457 0.990 -4.624) 13.325 ======================= Grid point 240 (116/172) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 9.113 1.138 9.237) 13.026 3.514 ( 10.794 1.674 9.977) 14.794 4.152 ( 19.349 -5.912 6.922) 21.383 4.361 ( 25.666 5.337 -9.867) 28.010 4.772 ( 5.303 11.633 -1.029) 12.826 5.313 ( -5.704 -0.639 -3.094) 6.520 5.588 ( 9.377 -2.373 -5.290) 11.024 5.885 ( -6.500 6.586 -3.995) 10.079 6.155 ( -14.077 6.470 8.799) 17.817 6.484 ( -9.048 7.304 -0.793) 11.655 6.504 ( -0.277 5.876 -2.130) 6.256 7.295 ( -9.565 -1.262 -4.867) 10.806 7.896 ( -9.469 -3.328 6.852) 12.152 8.166 ( 0.839 1.897 -1.021) 2.312 8.254 ( 4.158 -1.899 8.436) 9.595 8.631 ( 10.356 -1.484 -3.778) 11.123 8.725 ( 4.566 -0.920 -7.190) 8.567 8.938 ( -1.023 -0.074 -2.652) 2.844 9.063 ( 0.182 -0.383 -4.726) 4.745 9.329 ( -6.359 -1.806 -1.840) 6.862 10.657 ( 4.385 -2.577 1.815) 5.400 11.016 ( 13.419 -5.094 0.079) 14.354 11.404 ( -4.210 3.883 -3.670) 6.802 11.659 ( 7.836 9.900 2.249) 12.825 11.758 ( -4.597 6.290 8.860) 11.798 11.790 ( 3.964 1.326 1.747) 4.530 11.845 ( -1.680 10.042 -3.323) 10.711 12.222 ( 0.036 3.054 5.636) 6.411 12.322 ( 8.996 0.284 -0.076) 9.001 12.543 ( 5.133 -2.399 -2.610) 6.238 12.690 ( -3.323 12.052 3.827) 13.074 13.034 ( 6.376 -6.254 -3.617) 9.636 13.173 ( -3.175 -0.800 0.859) 3.385 13.247 ( 3.844 4.432 -0.167) 5.870 13.447 ( -4.908 9.170 0.701) 10.425 13.608 ( -11.293 -2.272 4.752) 12.461 14.085 ( 4.510 -5.570 -2.790) 7.691 14.440 ( -13.697 -0.563 4.924) 14.566 14.846 ( 8.975 -3.320 -12.809) 15.988 15.047 ( -6.978 8.180 0.484) 10.763 15.236 ( -0.381 -2.583 6.898) 7.375 15.281 ( -4.584 -1.968 0.411) 5.005 15.694 ( -0.227 -1.014 -5.606) 5.702 15.838 ( 0.579 -6.544 1.809) 6.814 16.210 ( 8.211 -3.655 1.996) 9.206 16.413 ( 0.496 -3.580 5.168) 6.307 16.538 ( -9.502 -5.110 0.884) 10.825 16.998 ( -3.400 -6.057 0.011) 6.946 17.120 ( -0.915 -4.928 -0.928) 5.097 17.184 ( -5.128 -3.761 -0.195) 6.363 18.386 ( 13.234 3.558 3.287) 14.093 18.985 ( 1.686 20.666 -9.115) 22.650 19.636 ( 20.206 2.260 -2.589) 20.496 20.126 ( -8.135 16.265 12.181) 21.889 21.403 ( 3.385 -6.957 5.614) 9.559 21.765 ( -0.222 -7.818 -4.277) 8.914 21.946 ( -0.002 -1.484 -4.578) 4.813 22.041 ( 0.943 -2.045 -1.560) 2.739 22.520 ( -5.522 -14.889 -0.229) 15.881 22.898 ( -11.987 0.134 -3.974) 12.629 ======================= Grid point 241 (117/172) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 2.250 10.518 20.799) 23.415 3.648 ( 12.309 1.392 -2.996) 12.745 4.335 ( 10.918 10.748 -1.722) 15.417 4.529 ( 14.716 2.936 8.051) 17.030 4.661 ( 14.048 8.104 -1.505) 16.287 5.150 ( -17.516 4.042 -7.900) 19.636 5.641 ( -3.875 2.671 -1.716) 5.010 5.747 ( -3.084 3.520 -1.448) 4.899 5.956 ( -8.233 -0.219 3.509) 8.952 6.248 ( -3.491 2.619 -9.777) 10.707 6.545 ( 11.928 0.328 2.029) 12.104 7.146 ( -12.203 2.417 -5.335) 13.536 7.808 ( -9.634 0.814 9.008) 13.215 8.040 ( -2.449 8.586 2.138) 9.181 8.443 ( 6.617 -6.618 7.575) 12.040 8.708 ( 3.006 -1.899 -6.281) 7.217 8.814 ( 5.256 -0.451 -9.073) 10.495 8.916 ( -2.939 -1.163 -4.129) 5.200 9.104 ( 5.538 -1.717 -1.215) 5.924 9.281 ( -8.040 -3.107 -0.341) 8.626 10.756 ( 6.166 -0.552 4.672) 7.756 11.248 ( 2.027 -4.208 -3.045) 5.576 11.259 ( 0.225 4.512 0.392) 4.534 11.512 ( -10.305 10.508 5.078) 15.569 11.523 ( 4.591 13.681 -2.857) 14.711 11.679 ( 1.182 5.746 -0.485) 5.886 11.830 ( 9.976 4.820 0.914) 11.117 12.132 ( -3.765 5.311 11.765) 13.446 12.342 ( -2.628 3.898 -7.686) 9.010 12.519 ( 2.795 3.632 -0.914) 4.673 12.721 ( 13.496 -1.771 1.670) 13.714 13.105 ( -9.467 -0.596 -0.431) 9.496 13.151 ( -1.247 5.912 -0.420) 6.056 13.234 ( -0.579 2.988 -1.881) 3.578 13.290 ( 9.715 -2.622 1.874) 10.236 13.555 ( -10.314 -4.833 3.236) 11.841 14.220 ( 3.005 -4.316 2.689) 5.906 14.356 ( -7.830 -4.681 4.337) 10.102 14.842 ( -8.348 3.992 1.465) 9.369 14.961 ( 6.446 -0.553 -13.264) 14.758 15.315 ( 0.492 -4.973 3.201) 5.935 15.354 ( 8.115 -3.444 1.777) 8.992 15.703 ( 1.743 -0.056 -4.158) 4.509 15.877 ( -5.176 -1.289 1.410) 5.517 16.370 ( 3.098 -3.956 -1.563) 5.263 16.474 ( -10.493 -2.978 -0.264) 10.911 16.570 ( 5.596 -7.898 12.736) 15.997 17.060 ( -3.998 -6.427 -2.695) 8.034 17.209 ( -1.256 -5.361 0.308) 5.515 17.219 ( 0.016 -4.490 -2.419) 5.100 18.391 ( 7.483 11.331 0.078) 13.579 18.610 ( -0.235 19.643 -4.525) 20.159 19.733 ( -0.567 12.104 5.338) 13.241 19.802 ( 1.609 4.268 -0.175) 4.565 21.554 ( 3.793 -4.261 5.224) 7.735 21.860 ( 0.157 -3.805 -3.317) 5.051 21.986 ( 2.282 -1.150 -1.083) 2.775 22.087 ( 1.467 -1.789 -3.011) 3.797 22.717 ( -5.200 -8.441 1.556) 10.035 22.832 ( -6.286 -11.502 -4.923) 14.002 ======================= Grid point 242 (118/172) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 3.094 15.929 20.543) 26.178 3.646 ( 6.772 11.108 -9.301) 15.992 4.205 ( 16.533 18.394 6.769) 25.642 4.486 ( -10.121 5.307 6.010) 12.912 4.662 ( -1.796 14.177 -3.753) 14.775 4.791 ( -13.837 5.934 -4.408) 15.688 5.568 ( -0.574 2.066 3.639) 4.224 5.640 ( -2.382 0.629 -0.135) 2.467 5.899 ( -9.596 -4.819 2.716) 11.076 6.359 ( 15.422 -6.296 -16.495) 23.443 6.768 ( 15.197 -5.770 0.649) 16.268 6.947 ( -12.114 1.039 -5.243) 13.241 7.706 ( -7.246 1.158 9.523) 12.022 7.873 ( -0.979 7.635 4.052) 8.699 8.611 ( 4.833 -3.114 9.663) 11.244 8.721 ( -0.571 2.347 -6.367) 6.810 8.840 ( 4.221 -1.178 -12.918) 13.641 8.922 ( -3.750 -4.347 -4.781) 7.471 9.201 ( -1.117 -2.412 1.526) 3.065 9.275 ( 1.086 -3.281 -1.186) 3.654 10.800 ( 6.881 6.343 5.626) 10.920 11.055 ( -6.497 7.840 -1.611) 10.309 11.164 ( -1.189 16.313 1.623) 16.436 11.272 ( -7.295 4.951 -4.154) 9.746 11.495 ( -1.680 -4.970 2.034) 5.627 11.639 ( 4.171 2.849 1.689) 5.326 11.869 ( 14.485 5.863 -1.264) 15.677 12.032 ( -1.427 5.377 6.934) 8.890 12.182 ( -9.589 1.709 -2.949) 10.177 12.515 ( 5.688 3.749 -5.569) 8.799 12.792 ( -3.576 4.684 5.397) 7.992 12.976 ( -3.661 5.138 5.207) 8.180 13.069 ( 3.537 -2.071 -5.513) 6.870 13.219 ( 0.838 0.231 -2.480) 2.628 13.495 ( -5.390 -6.232 3.756) 9.055 13.578 ( 9.803 -6.263 -1.076) 11.682 14.301 ( -7.115 -7.482 7.384) 12.694 14.433 ( 0.459 -4.797 6.929) 8.440 14.753 ( -3.286 -2.504 -3.442) 5.377 14.997 ( 5.256 0.399 -11.489) 12.641 15.414 ( -0.146 -5.326 3.106) 6.168 15.515 ( 5.564 -2.806 0.532) 6.254 15.726 ( 2.822 0.967 -0.332) 3.001 15.802 ( -4.481 1.305 -0.564) 4.701 16.368 ( -6.954 0.224 2.489) 7.389 16.441 ( -3.053 -2.930 -0.238) 4.239 16.827 ( 7.402 -8.614 9.921) 15.081 17.115 ( -2.046 -3.962 -3.131) 5.448 17.255 ( -1.042 -1.837 -1.032) 2.351 17.332 ( 1.911 -6.787 -4.113) 8.162 18.135 ( 2.379 20.516 1.705) 20.724 18.356 ( 2.372 12.016 -7.622) 14.426 19.431 ( -12.221 9.529 11.738) 19.440 19.826 ( 5.933 3.283 -6.398) 9.322 21.646 ( 1.389 -1.729 4.312) 4.849 21.892 ( 2.223 1.031 -3.154) 3.994 22.008 ( 0.856 0.825 1.400) 1.837 22.128 ( 1.713 -1.632 -4.777) 5.331 22.760 ( -4.707 -7.217 5.646) 10.302 23.068 ( 0.161 -15.095 -6.776) 16.547 ======================= Grid point 243 (119/172) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 5.304 20.057 15.385) 25.829 3.432 ( 4.070 16.980 -12.920) 21.721 4.038 ( 5.082 19.997 10.455) 23.130 4.104 ( -16.439 19.227 -18.525) 31.354 4.348 ( -13.564 -1.676 14.341) 19.811 4.582 ( 4.959 17.198 6.531) 19.053 5.536 ( -3.272 -0.490 6.389) 7.194 5.673 ( -0.495 -2.571 0.091) 2.620 5.951 ( -2.676 -8.517 0.851) 8.968 6.678 ( 13.152 -11.967 -17.645) 25.051 6.798 ( -5.339 -3.502 -3.959) 7.513 7.115 ( 15.460 -7.784 -1.711) 17.394 7.629 ( -5.636 0.651 7.847) 9.684 7.801 ( 5.618 4.306 6.682) 9.734 8.623 ( -0.485 4.179 -1.301) 4.403 8.718 ( 1.322 -1.005 5.732) 5.968 8.866 ( 0.650 0.613 -10.613) 10.650 8.942 ( -2.924 -3.013 -6.012) 7.333 9.175 ( -5.191 -0.986 -1.352) 5.454 9.379 ( 5.184 -2.471 -0.733) 5.789 10.692 ( 2.703 11.592 5.151) 12.970 10.830 ( -4.494 9.941 -4.928) 11.971 10.962 ( 3.825 7.974 5.066) 10.192 11.118 ( -2.859 4.725 -5.391) 7.718 11.481 ( -5.349 1.701 2.553) 6.166 11.672 ( 0.031 -0.574 1.460) 1.569 11.869 ( -9.883 0.166 -5.357) 11.242 11.947 ( 10.863 3.390 -1.613) 11.493 12.192 ( 6.093 -2.803 9.427) 11.570 12.488 ( 2.946 4.000 -5.327) 7.284 12.597 ( -9.370 6.664 3.109) 11.911 12.888 ( -0.893 4.191 9.670) 10.577 13.171 ( 6.791 -1.492 -5.984) 9.174 13.246 ( 1.171 -2.833 -4.399) 5.361 13.492 ( -9.612 -6.026 3.059) 11.750 13.872 ( 13.969 -7.906 -0.930) 16.078 14.299 ( -18.294 -6.868 9.990) 21.946 14.541 ( 5.552 -3.550 5.504) 8.586 14.816 ( -1.137 -6.576 -8.817) 11.058 15.052 ( 2.088 -2.605 -4.734) 5.793 15.483 ( 0.176 0.348 1.729) 1.772 15.557 ( -0.796 -2.530 -1.129) 2.883 15.653 ( -9.676 -1.993 -1.043) 9.934 15.846 ( 11.104 2.835 3.276) 11.919 16.292 ( -5.821 1.160 5.971) 8.419 16.460 ( -0.692 -2.480 -1.099) 2.800 17.038 ( 3.752 -5.486 7.111) 9.734 17.133 ( 0.164 -0.362 -1.973) 2.013 17.225 ( -2.056 3.087 -2.618) 4.540 17.465 ( 2.423 -5.310 -5.204) 7.819 17.849 ( 2.828 15.673 3.707) 16.351 18.196 ( 9.787 10.859 -11.655) 18.696 19.163 ( -13.883 6.723 13.701) 20.632 19.800 ( 2.775 3.587 -6.457) 7.891 21.646 ( -3.393 1.193 1.678) 3.969 21.883 ( 5.919 4.155 -1.488) 7.383 22.001 ( -0.907 -0.072 1.481) 1.738 22.159 ( 1.591 -0.226 -4.866) 5.125 22.891 ( -1.017 -9.406 9.660) 13.522 23.286 ( 0.025 -10.670 -8.729) 13.786 ======================= Grid point 244 (120/172) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 9.350 22.834 7.272) 25.724 3.132 ( -0.647 15.873 -14.543) 21.537 3.592 ( -3.350 21.443 -9.983) 23.889 3.728 ( -4.654 13.773 0.855) 14.564 4.342 ( -13.753 -10.201 11.654) 20.713 4.407 ( 28.790 24.577 16.302) 41.215 5.541 ( -5.214 -4.874 8.017) 10.733 5.672 ( -5.992 -1.990 0.250) 6.319 6.099 ( -3.708 -11.807 -0.752) 12.398 6.790 ( -3.626 -7.964 -9.580) 12.975 7.109 ( 15.869 -14.031 -10.789) 23.772 7.350 ( 6.469 -3.000 1.081) 7.212 7.604 ( 0.355 -0.906 2.716) 2.885 7.860 ( 10.408 1.607 8.118) 13.297 8.518 ( -4.029 6.650 3.595) 8.566 8.709 ( -0.179 1.529 -2.266) 2.739 8.816 ( -2.247 2.249 -1.619) 3.568 8.933 ( -0.679 0.374 -8.097) 8.134 9.122 ( -4.317 0.688 -2.919) 5.257 9.461 ( 3.394 -1.519 -3.022) 4.791 10.542 ( -0.123 7.753 3.440) 8.483 10.657 ( 2.066 6.635 -3.675) 7.861 10.937 ( 8.699 4.369 1.866) 9.912 11.039 ( 3.931 3.272 -4.494) 6.809 11.369 ( -4.687 3.430 2.189) 6.207 11.574 ( -7.570 1.674 -1.912) 7.986 11.946 ( 0.757 -9.561 1.416) 9.695 11.978 ( 4.433 0.660 -3.362) 5.603 12.357 ( 3.136 1.192 14.333) 14.720 12.369 ( 0.577 5.139 -7.251) 8.906 12.461 ( -2.632 -0.141 2.977) 3.976 12.826 ( -0.312 4.084 11.236) 11.959 13.241 ( 4.783 -0.066 -5.011) 6.927 13.323 ( 1.143 -5.175 -7.315) 9.033 13.505 ( -7.130 -5.802 1.997) 9.407 14.056 ( -6.910 -1.152 10.941) 12.992 14.272 ( -1.584 -9.830 -2.895) 10.369 14.662 ( 0.646 -2.936 1.821) 3.515 14.897 ( -3.257 -7.746 -10.017) 13.075 15.058 ( -9.375 -3.632 2.065) 10.264 15.473 ( 3.200 -0.667 -2.355) 4.029 15.584 ( -5.357 -0.724 0.161) 5.408 15.655 ( 2.681 -4.264 -0.316) 5.047 15.891 ( 5.704 4.524 6.256) 9.599 16.196 ( -7.468 2.488 7.624) 10.959 16.520 ( 3.485 -2.090 -1.423) 4.305 17.032 ( -1.980 5.474 -3.364) 6.723 17.121 ( -1.813 3.573 -0.626) 4.056 17.208 ( 4.683 -1.741 2.896) 5.775 17.528 ( 0.952 -0.848 -3.332) 3.568 17.647 ( 3.682 12.791 2.492) 13.542 18.217 ( 21.401 5.332 -12.636) 25.419 18.923 ( -13.746 4.628 13.302) 19.681 19.769 ( 2.646 1.767 -3.969) 5.087 21.551 ( -4.730 3.577 -0.429) 5.945 21.881 ( 5.886 4.404 0.132) 7.353 21.998 ( -0.674 -0.719 0.549) 1.129 22.151 ( 0.854 1.778 -4.538) 4.948 23.062 ( -1.013 -8.331 11.816) 14.494 23.402 ( -2.865 -6.365 -10.014) 12.207 ======================= Grid point 249 (121/172) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 14.173 0.000 8.381) 16.465 3.545 ( 13.926 0.000 17.958) 22.725 4.034 ( 13.902 0.000 10.357) 17.336 4.411 ( 20.489 0.000 -19.802) 28.494 4.942 ( 7.935 0.000 -3.480) 8.665 5.326 ( -1.200 -0.000 -4.955) 5.099 5.551 ( 6.533 0.000 -4.196) 7.765 6.039 ( -7.070 -0.000 0.365) 7.079 6.213 ( -14.904 -0.000 2.491) 15.111 6.621 ( -10.740 -0.000 -5.144) 11.908 6.948 ( 3.556 0.000 2.238) 4.201 7.102 ( -3.120 -0.000 2.684) 4.116 7.744 ( -5.797 -0.000 6.394) 8.630 8.074 ( -6.446 -0.000 4.240) 7.716 8.376 ( 5.163 0.000 1.951) 5.520 8.589 ( 14.362 0.000 -4.286) 14.988 8.741 ( 2.521 0.000 -3.310) 4.161 8.940 ( 0.986 0.000 -3.489) 3.626 9.035 ( -4.954 -0.000 -7.016) 8.589 9.299 ( -3.086 -0.000 -3.312) 4.527 10.605 ( 5.283 0.000 0.465) 5.303 10.929 ( 12.954 0.000 -1.329) 13.022 11.476 ( -3.074 -0.000 -1.188) 3.296 11.807 ( 5.391 0.000 2.709) 6.034 11.811 ( 2.204 0.000 8.441) 8.724 11.964 ( 4.187 0.000 5.726) 7.093 11.992 ( 6.920 0.000 -3.188) 7.619 12.126 ( -12.269 -0.000 6.375) 13.827 12.461 ( 9.726 0.000 -1.867) 9.904 12.537 ( 2.867 0.000 -3.740) 4.712 12.793 ( 5.428 0.000 -5.316) 7.598 12.978 ( -15.299 -0.000 8.335) 17.422 13.168 ( 4.126 0.000 -1.744) 4.480 13.368 ( 3.224 0.000 0.966) 3.366 13.640 ( -2.129 -0.000 -5.178) 5.598 13.670 ( -5.000 -0.000 8.429) 9.801 13.940 ( 5.082 0.000 -4.686) 6.912 14.391 ( -13.550 -0.000 1.599) 13.644 14.846 ( 6.888 0.000 -6.266) 9.311 14.991 ( -5.758 -0.000 5.739) 8.130 15.229 ( -6.105 -0.000 3.013) 6.808 15.401 ( -3.440 -0.000 -2.035) 3.997 15.569 ( -6.106 -0.000 2.620) 6.644 15.705 ( -0.426 -0.000 -8.467) 8.477 16.167 ( 9.041 0.000 6.641) 11.218 16.398 ( -2.808 -0.000 2.454) 3.729 16.404 ( -0.427 -0.000 -3.444) 3.470 16.873 ( -2.979 -0.000 1.815) 3.489 17.016 ( -2.935 -0.000 0.827) 3.049 17.096 ( -6.798 -0.000 1.022) 6.874 18.444 ( 15.919 0.000 4.756) 16.614 19.338 ( 0.461 0.000 -16.463) 16.469 19.803 ( 29.478 0.000 -0.089) 29.478 20.553 ( -6.430 -0.000 20.778) 21.750 21.157 ( -0.911 -0.000 4.675) 4.763 21.515 ( -2.712 -0.000 -4.986) 5.676 21.963 ( -2.695 -0.000 -4.346) 5.114 21.969 ( -0.594 -0.000 -1.716) 1.816 22.223 ( -2.751 -0.000 -2.464) 3.693 22.915 ( -12.724 -0.000 -5.966) 14.053 ======================= Grid point 250 (122/172) ======================= q-point: ( 0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( 11.924 1.447 15.921) 19.943 3.682 ( 8.510 2.343 11.240) 14.291 4.240 ( 9.784 -6.232 7.522) 13.826 4.583 ( 11.687 -0.823 -14.656) 18.764 4.942 ( 1.140 4.338 -1.454) 4.715 5.249 ( -6.293 1.468 -9.155) 11.206 5.659 ( 10.339 -0.369 -2.685) 10.689 5.941 ( -1.947 5.844 -4.100) 7.399 6.046 ( -12.729 1.065 3.210) 13.170 6.431 ( -11.210 4.103 -7.878) 14.302 6.812 ( 8.466 14.320 6.016) 17.690 7.168 ( -4.791 -2.796 -2.309) 6.009 7.751 ( -6.035 -4.287 11.132) 13.369 8.080 ( -1.978 -7.176 2.709) 7.921 8.374 ( 3.612 6.001 3.479) 7.821 8.711 ( 3.725 0.552 -6.688) 7.675 8.775 ( 7.056 -0.819 -1.512) 7.262 8.928 ( -1.222 0.708 -3.674) 3.937 9.009 ( -0.521 -2.838 -4.251) 5.138 9.232 ( -7.587 0.152 -3.999) 8.578 10.701 ( 8.675 -1.318 2.033) 9.007 11.072 ( 7.843 -2.652 -3.684) 9.062 11.429 ( -0.649 2.896 1.043) 3.146 11.747 ( -8.147 4.454 9.151) 13.036 11.843 ( 1.319 2.142 5.249) 5.821 11.951 ( 6.623 3.942 -0.634) 7.733 11.980 ( 0.250 6.640 -3.372) 7.451 12.138 ( 0.338 -3.497 2.578) 4.358 12.510 ( 6.963 3.843 -2.552) 8.352 12.552 ( 0.895 -0.493 -2.543) 2.740 12.801 ( -5.839 2.995 6.722) 9.394 12.929 ( 1.433 -6.731 -1.701) 7.089 13.201 ( 4.218 1.254 0.710) 4.457 13.392 ( 7.497 3.744 -1.254) 8.473 13.516 ( -8.463 6.653 -2.543) 11.061 13.521 ( -8.477 4.440 3.144) 10.073 14.078 ( 9.846 -3.239 -1.992) 10.555 14.258 ( -13.769 -1.480 4.521) 14.568 14.900 ( 7.946 -0.302 -5.326) 9.570 15.063 ( -3.657 -7.162 0.683) 8.070 15.183 ( -1.926 9.029 -0.454) 9.244 15.226 ( -3.383 -0.724 5.524) 6.518 15.628 ( -0.698 -5.678 -3.956) 6.955 15.716 ( -2.245 -6.211 -5.944) 8.885 16.264 ( 3.729 -0.655 4.403) 5.807 16.387 ( -2.011 -0.254 1.572) 2.566 16.425 ( 3.754 -1.666 3.914) 5.674 16.858 ( -5.730 -3.643 -0.476) 6.807 17.027 ( -1.315 -3.859 1.153) 4.237 17.068 ( -3.185 -3.357 0.745) 4.687 18.596 ( 12.253 2.373 3.607) 12.992 19.224 ( -3.007 8.635 -15.390) 17.901 20.011 ( 23.768 11.428 3.097) 26.554 20.304 ( -14.169 14.492 13.487) 24.345 21.271 ( -0.335 -10.203 6.824) 12.279 21.592 ( 0.389 -10.672 -6.301) 12.399 21.930 ( 1.066 -0.571 -3.748) 3.938 21.995 ( -0.890 -3.032 -2.350) 3.938 22.293 ( 2.135 -7.049 1.210) 7.464 22.752 ( -12.848 0.445 -6.230) 14.285 ======================= Grid point 251 (123/172) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 7.067 8.368 19.720) 22.558 3.740 ( 3.755 -0.455 1.664) 4.133 4.426 ( -2.515 -5.691 4.915) 7.929 4.606 ( -8.290 -1.052 -0.377) 8.365 4.887 ( 6.140 5.906 -4.234) 9.514 5.096 ( -5.754 6.655 -11.044) 14.120 5.709 ( 4.782 4.580 -0.522) 6.642 5.828 ( -2.632 1.703 -3.936) 5.032 5.876 ( -3.916 8.592 2.588) 9.791 6.318 ( 7.842 1.985 -10.757) 13.459 6.735 ( 8.426 5.861 6.315) 12.052 7.070 ( -7.570 4.063 -5.780) 10.355 7.735 ( -7.195 -0.777 13.724) 15.515 8.155 ( -1.025 4.208 -2.861) 5.191 8.375 ( 3.289 -6.212 8.946) 11.377 8.707 ( -0.115 -0.549 -4.425) 4.460 8.837 ( 1.536 0.388 -5.675) 5.892 8.895 ( -0.037 0.835 -7.041) 7.090 9.106 ( 3.388 -3.476 -0.433) 4.873 9.129 ( -7.472 -2.547 -1.736) 8.083 10.842 ( 10.383 -1.284 3.805) 11.133 11.157 ( -2.383 -3.458 -9.048) 9.975 11.375 ( 2.942 5.159 6.366) 8.706 11.548 ( -8.878 7.905 8.795) 14.787 11.743 ( -6.302 8.065 -6.052) 11.890 11.847 ( 6.042 9.276 2.460) 11.340 11.978 ( 3.095 0.406 1.942) 3.676 12.188 ( 5.134 1.864 2.399) 5.966 12.381 ( -6.671 8.953 -0.177) 11.167 12.564 ( 0.797 -0.667 -4.739) 4.852 12.868 ( 8.928 -3.987 4.367) 10.708 12.953 ( -8.798 -1.638 -0.181) 8.951 13.245 ( -9.586 9.076 1.260) 13.261 13.281 ( 5.836 0.718 -1.484) 6.064 13.351 ( 1.065 1.496 -0.323) 1.865 13.496 ( 9.836 1.346 -2.269) 10.183 14.136 ( -12.163 -2.097 6.769) 14.076 14.251 ( 7.749 -4.402 2.210) 9.182 14.866 ( -8.454 7.952 -0.863) 11.638 15.021 ( 7.694 0.771 -9.274) 12.075 15.166 ( -3.617 -6.978 3.667) 8.673 15.354 ( 4.486 -6.043 0.516) 7.544 15.695 ( 1.217 -2.785 -2.052) 3.667 15.808 ( 0.754 -4.281 -4.583) 6.316 16.279 ( -8.412 -3.257 3.490) 9.672 16.392 ( 3.367 -0.372 -1.406) 3.667 16.552 ( 6.214 -4.254 11.986) 14.155 16.883 ( -4.309 -7.026 -3.720) 9.043 17.096 ( -1.739 -5.385 1.219) 5.789 17.142 ( 1.619 -5.306 -0.558) 5.576 18.641 ( 8.344 6.641 0.896) 10.702 18.929 ( -3.752 17.248 -10.699) 20.641 19.850 ( -17.424 13.942 9.402) 24.216 20.037 ( 13.447 12.245 2.141) 18.312 21.454 ( -1.051 -9.430 6.608) 11.563 21.778 ( 2.493 -7.205 -4.532) 8.870 22.007 ( 6.450 -2.879 -2.461) 7.480 22.042 ( -0.207 -3.537 -4.099) 5.418 22.505 ( 4.261 -12.503 1.006) 13.247 22.606 ( -12.033 -2.433 -3.851) 12.866 ======================= Grid point 252 (124/172) ======================= q-point: (-0.30 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 2.374 12.222 14.923) 19.435 3.739 ( -4.832 1.441 -2.272) 5.531 4.329 ( -18.429 1.940 7.316) 19.923 4.443 ( -21.890 2.444 -1.065) 22.052 4.767 ( 0.231 13.252 -4.142) 13.886 4.936 ( 3.595 4.873 -1.849) 6.332 5.693 ( -1.049 6.185 -1.623) 6.480 5.706 ( 7.533 5.102 -1.398) 9.205 5.812 ( 6.303 2.125 3.081) 7.330 6.457 ( 16.357 -1.671 -12.489) 20.647 6.851 ( 0.314 -2.886 -1.552) 3.292 6.864 ( 2.761 4.455 -2.755) 5.921 7.678 ( -5.515 1.138 14.616) 15.663 8.016 ( 0.919 7.828 1.214) 7.975 8.566 ( 1.419 -7.871 6.995) 10.625 8.706 ( -2.762 -1.264 -6.488) 7.164 8.825 ( -1.594 -0.041 -5.503) 5.729 8.860 ( 1.533 0.357 -7.098) 7.271 9.071 ( -8.083 -4.242 -1.386) 9.233 9.268 ( 6.803 -4.126 0.247) 7.960 10.980 ( 10.933 1.228 5.713) 12.396 11.096 ( -5.989 2.772 -8.320) 10.619 11.289 ( -4.019 8.644 2.727) 9.915 11.345 ( -6.283 4.801 8.930) 11.928 11.466 ( -6.930 10.152 -3.984) 12.921 11.784 ( 5.536 6.394 -0.789) 8.494 12.018 ( 2.953 0.409 4.177) 5.132 12.087 ( -11.507 5.531 -5.861) 14.048 12.254 ( 11.846 7.846 7.017) 15.847 12.536 ( -6.690 -0.184 -3.006) 7.337 12.850 ( -2.038 4.229 -3.277) 5.725 13.037 ( -2.358 3.659 4.220) 6.063 13.067 ( 3.237 -5.801 1.324) 6.774 13.221 ( -1.937 1.635 -2.038) 3.252 13.412 ( 4.105 3.106 -1.206) 5.287 13.646 ( 15.077 -3.034 -2.635) 15.603 14.070 ( -12.693 -5.151 8.901) 16.337 14.432 ( 8.297 -4.030 5.988) 10.997 14.682 ( -6.979 1.083 -4.171) 8.203 15.052 ( 4.987 1.828 -8.604) 10.111 15.282 ( -1.767 -8.152 4.600) 9.526 15.474 ( 0.300 -4.627 -2.165) 5.117 15.676 ( -5.569 1.916 -2.851) 6.543 15.905 ( 9.852 0.044 -0.878) 9.891 16.239 ( -9.228 -4.617 2.818) 10.697 16.430 ( 2.786 1.234 3.853) 4.912 16.744 ( 2.962 -9.415 8.017) 12.716 16.992 ( 0.473 -7.436 -3.839) 8.382 17.184 ( 0.346 -5.517 -1.020) 5.621 17.253 ( 2.354 -4.756 -1.109) 5.421 18.521 ( 1.500 19.322 -3.279) 19.655 18.591 ( 2.895 11.394 -5.664) 13.050 19.445 ( -18.258 9.888 9.876) 22.993 19.969 ( 5.285 8.315 -0.229) 9.855 21.578 ( -2.140 -5.582 3.796) 7.081 21.886 ( 1.550 -3.866 -1.068) 4.300 22.068 ( 0.144 0.888 -7.269) 7.325 22.101 ( 4.198 -1.089 -2.069) 4.805 22.579 ( -4.929 -7.539 3.490) 9.660 22.827 ( 6.363 -15.220 -2.500) 16.685 ======================= Grid point 253 (125/172) ======================= q-point: (-0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -0.793 12.869 10.879) 16.870 3.570 ( -12.430 5.585 -3.574) 14.088 3.972 ( -30.268 5.240 1.227) 30.743 4.130 ( -13.374 5.177 -6.862) 15.898 4.467 ( -3.467 18.245 5.837) 19.467 4.977 ( 14.363 4.563 5.920) 16.191 5.560 ( 0.391 6.972 0.975) 7.051 5.741 ( 5.628 2.010 -3.726) 7.043 5.865 ( 4.065 1.413 4.512) 6.236 6.651 ( 2.107 2.056 -15.522) 15.799 6.711 ( 7.873 -7.537 -5.851) 12.370 7.146 ( 13.969 -7.802 1.126) 16.040 7.626 ( -3.073 1.462 13.438) 13.862 7.956 ( 6.876 4.459 4.616) 9.406 8.650 ( -3.622 0.907 -5.241) 6.435 8.684 ( -0.780 -4.249 3.355) 5.470 8.807 ( -3.975 -1.693 -2.147) 4.825 8.891 ( 1.580 -1.280 -4.108) 4.583 9.059 ( -5.339 -3.932 -6.888) 9.561 9.396 ( 4.827 -2.512 0.233) 5.447 10.903 ( -4.062 10.614 -0.130) 11.365 11.003 ( 3.400 10.939 2.030) 11.633 11.098 ( -3.655 5.715 1.942) 7.057 11.162 ( -2.112 5.184 2.098) 5.978 11.364 ( -5.816 -4.526 -3.600) 8.202 11.750 ( 3.969 3.280 1.337) 5.320 11.800 ( -9.815 8.998 -4.882) 14.182 12.070 ( 2.293 1.197 -2.079) 3.319 12.277 ( 3.263 1.325 10.298) 10.884 12.461 ( -2.154 0.201 0.928) 2.354 12.727 ( -0.342 8.097 -4.625) 9.331 12.979 ( 2.308 3.281 4.791) 6.249 13.217 ( 0.809 -5.586 0.103) 5.645 13.228 ( 6.518 -0.228 -2.495) 6.983 13.343 ( -3.082 2.963 -1.376) 4.491 13.890 ( 11.859 -6.073 -1.744) 13.437 14.022 ( -14.009 -4.899 9.596) 17.673 14.577 ( 6.505 -1.849 5.240) 8.556 14.656 ( -5.303 -6.129 -8.489) 11.736 15.035 ( -1.955 2.197 -4.153) 5.089 15.418 ( 0.684 -7.248 5.032) 8.850 15.524 ( -2.991 -2.653 -1.073) 4.140 15.562 ( -0.501 3.078 -6.127) 6.875 15.965 ( 1.596 1.136 3.520) 4.029 16.270 ( 0.213 -3.344 4.670) 5.748 16.423 ( -0.029 1.096 3.388) 3.561 16.956 ( 3.027 -9.034 3.670) 10.210 17.090 ( -0.453 -3.883 -1.538) 4.201 17.245 ( 0.949 0.228 -3.160) 3.308 17.376 ( 2.143 -6.361 -2.984) 7.346 18.187 ( 1.594 17.628 1.334) 17.750 18.481 ( 10.985 9.394 -9.958) 17.552 19.117 ( -18.011 6.271 12.329) 22.710 19.874 ( -0.233 5.391 -2.057) 5.775 21.602 ( -4.203 -1.069 -0.464) 4.361 21.952 ( 0.379 -2.083 1.352) 2.512 22.016 ( 0.662 2.443 -5.654) 6.195 22.151 ( 1.569 -1.280 -4.011) 4.493 22.727 ( 0.073 -9.868 9.469) 13.677 23.129 ( 6.827 -10.347 -5.374) 13.511 ======================= Grid point 254 (126/172) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 0.855 12.739 8.497) 15.337 3.255 ( -12.766 9.773 -8.901) 18.377 3.657 ( -17.157 -1.622 -9.357) 19.610 3.907 ( -3.138 10.076 2.047) 10.750 4.146 ( -7.647 8.967 9.063) 14.867 5.066 ( 21.629 11.538 10.631) 26.720 5.466 ( -1.723 3.165 2.838) 4.587 5.720 ( 4.102 5.786 -1.944) 7.354 5.888 ( -4.160 -5.550 0.321) 6.944 6.639 ( -1.563 -4.821 -10.817) 11.946 7.033 ( 13.886 -11.577 -7.763) 19.675 7.357 ( 2.971 -2.513 3.063) 4.952 7.633 ( 4.060 -0.876 7.554) 8.621 8.027 ( 12.145 1.579 6.177) 13.717 8.576 ( -4.196 4.045 2.950) 6.532 8.684 ( -4.316 -0.700 -2.498) 5.035 8.792 ( -4.400 -1.446 1.210) 4.787 8.910 ( -0.457 -0.889 -5.226) 5.321 9.056 ( -1.794 -1.817 -10.200) 10.514 9.467 ( 2.228 -1.263 -0.953) 2.733 10.688 ( -1.495 8.761 0.681) 8.913 10.817 ( 1.711 9.209 0.083) 9.367 11.020 ( -2.226 0.042 2.099) 3.060 11.119 ( 2.320 1.491 -2.676) 3.843 11.384 ( 0.710 0.546 -0.673) 1.120 11.553 ( -6.023 6.858 -3.809) 9.891 11.801 ( 2.239 -5.246 4.041) 6.990 12.010 ( -4.015 1.904 -5.656) 7.193 12.331 ( -0.776 -2.849 11.738) 12.104 12.455 ( -0.664 4.367 -6.609) 7.950 12.595 ( 6.447 5.740 5.943) 10.480 12.949 ( 3.489 5.783 7.515) 10.104 13.225 ( -3.186 0.606 -2.997) 4.416 13.330 ( 6.973 -1.304 -3.067) 7.729 13.342 ( -2.643 -5.933 -0.226) 6.499 13.915 ( -12.490 -1.518 10.864) 16.623 14.142 ( 6.731 -8.420 -5.368) 12.043 14.647 ( -2.997 -2.970 -0.161) 4.223 14.720 ( -0.201 -4.871 -8.971) 10.210 14.919 ( -7.967 1.149 -0.277) 8.054 15.475 ( -2.216 0.355 -0.649) 2.336 15.514 ( -1.832 -2.066 1.061) 2.958 15.629 ( 5.978 -3.770 0.626) 7.095 15.949 ( -3.210 -0.611 4.380) 5.464 16.262 ( 0.767 7.182 10.763) 12.962 16.487 ( 3.602 -5.712 -2.207) 7.104 17.081 ( 1.964 -0.757 -3.567) 4.142 17.120 ( -3.980 -0.540 1.946) 4.463 17.223 ( 2.799 0.365 -2.858) 4.016 17.464 ( -1.054 -3.030 -4.698) 5.689 17.974 ( 6.816 13.134 6.066) 15.992 18.518 ( 19.200 4.061 -12.441) 23.236 18.845 ( -16.964 4.181 13.030) 21.795 19.789 ( -2.090 1.650 -1.862) 3.250 21.535 ( -5.060 1.454 -3.347) 6.239 21.967 ( -1.453 -0.964 1.069) 2.045 22.003 ( 3.551 2.190 -1.992) 4.623 22.165 ( 0.303 0.097 -4.879) 4.889 22.918 ( -0.185 -9.310 12.088) 15.259 23.303 ( 3.543 -3.637 -7.348) 8.931 ======================= Grid point 260 (127/172) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( 14.443 0.000 18.693) 23.623 3.785 ( 0.162 0.000 10.758) 10.759 4.185 ( -8.495 -0.000 6.841) 10.907 4.607 ( -2.392 -0.000 -16.883) 17.051 4.991 ( 3.632 0.000 -1.501) 3.930 5.175 ( -5.181 -0.000 -10.698) 11.886 5.812 ( 14.382 0.000 2.827) 14.657 5.857 ( -13.717 -0.000 -2.534) 13.949 6.086 ( 10.651 0.000 -5.798) 12.127 6.343 ( -6.484 -0.000 -6.938) 9.496 6.982 ( -8.899 -0.000 5.026) 10.220 7.165 ( 10.644 0.000 -3.494) 11.203 7.685 ( -2.069 -0.000 15.340) 15.479 7.962 ( -4.664 -0.000 4.600) 6.551 8.490 ( 4.054 0.000 1.732) 4.408 8.685 ( -5.573 -0.000 -5.474) 7.812 8.836 ( 4.691 0.000 -0.698) 4.742 8.906 ( -3.215 -0.000 -4.215) 5.301 9.003 ( 5.745 0.000 -1.973) 6.075 9.131 ( -9.156 -0.000 -6.133) 11.020 10.811 ( 11.419 0.000 1.630) 11.534 11.085 ( 0.392 0.000 -9.316) 9.324 11.492 ( 4.996 0.000 6.793) 8.432 11.713 ( -8.762 -0.000 8.210) 12.008 11.863 ( -0.826 -0.000 5.449) 5.511 11.899 ( -9.195 -0.000 -1.063) 9.257 12.144 ( 5.460 0.000 -4.749) 7.237 12.187 ( 13.343 0.000 -1.769) 13.460 12.536 ( -2.482 -0.000 -1.331) 2.816 12.551 ( -4.521 -0.000 -0.225) 4.527 12.727 ( -7.022 -0.000 6.666) 9.682 12.914 ( 3.957 0.000 0.648) 4.010 13.276 ( 7.018 0.000 1.592) 7.197 13.452 ( -10.139 -0.000 -5.675) 11.619 13.489 ( -7.174 -0.000 2.109) 7.477 13.537 ( 11.221 0.000 0.313) 11.226 14.108 ( -11.222 -0.000 0.705) 11.244 14.180 ( 10.825 0.000 -1.064) 10.877 14.913 ( -3.052 -0.000 3.763) 4.845 15.038 ( 8.303 0.000 -2.209) 8.592 15.167 ( 0.565 0.000 5.382) 5.412 15.403 ( 3.880 0.000 -4.360) 5.837 15.416 ( -6.821 -0.000 -0.388) 6.832 15.634 ( 0.156 0.000 -9.543) 9.544 16.246 ( -4.174 -0.000 4.717) 6.299 16.400 ( 1.164 0.000 -2.379) 2.649 16.520 ( 10.886 0.000 8.796) 13.996 16.744 ( -7.864 -0.000 -2.058) 8.129 16.982 ( -0.299 -0.000 1.565) 1.593 17.012 ( -1.226 -0.000 1.537) 1.966 18.747 ( 8.882 0.000 4.072) 9.771 19.204 ( -7.252 -0.000 -15.815) 17.399 20.242 ( -23.684 -0.000 12.382) 26.725 20.471 ( 27.727 0.000 4.491) 28.089 21.170 ( 0.778 0.000 5.001) 5.061 21.448 ( -1.214 -0.000 -5.955) 6.078 21.935 ( 1.759 0.000 -3.135) 3.595 21.942 ( -0.976 -0.000 -3.477) 3.611 22.310 ( 7.891 0.000 4.574) 9.121 22.595 ( -13.217 -0.000 -7.960) 15.428 ======================= Grid point 261 (128/172) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( -2.260 7.331 11.505) 13.828 3.756 ( 3.242 0.788 9.989) 10.532 4.129 ( -19.699 -10.297 7.577) 23.484 4.457 ( -16.334 1.275 -10.367) 19.388 5.021 ( 1.326 3.410 -3.887) 5.338 5.085 ( -4.025 0.785 -7.341) 8.409 5.732 ( -2.934 1.135 -6.303) 7.044 5.962 ( 14.831 3.550 7.944) 17.195 6.089 ( 7.443 10.383 -7.667) 14.899 6.386 ( 9.967 -4.715 -8.616) 13.993 6.838 ( -8.490 3.067 7.248) 11.577 7.181 ( 7.014 8.751 -6.429) 12.927 7.676 ( -4.219 0.729 17.024) 17.554 8.058 ( -0.802 -11.095 1.882) 11.282 8.435 ( -0.252 6.878 3.178) 7.581 8.647 ( -3.799 -2.546 -3.883) 6.000 8.837 ( -4.592 0.450 -2.955) 5.479 8.881 ( 0.713 -1.217 -4.393) 4.614 9.001 ( -9.049 1.192 -5.108) 10.459 9.118 ( 7.581 -3.487 -0.139) 8.346 10.954 ( 11.080 -0.957 1.085) 11.174 11.059 ( -3.835 -1.488 -12.017) 12.702 11.504 ( -0.158 5.768 8.066) 9.917 11.611 ( -3.094 3.835 5.397) 7.308 11.745 ( -7.378 4.583 -1.057) 8.749 11.878 ( -4.349 -2.458 6.666) 8.330 12.124 ( 5.903 6.672 -4.892) 10.163 12.295 ( 1.007 3.902 2.282) 4.631 12.468 ( 1.049 2.023 0.855) 2.434 12.504 ( -3.587 -1.096 -3.931) 5.434 12.728 ( -6.040 -7.301 3.330) 10.043 12.947 ( 2.729 1.790 2.694) 4.232 13.253 ( -10.693 5.855 -0.552) 12.203 13.358 ( -0.255 3.409 0.179) 3.423 13.428 ( 8.547 -1.041 -2.205) 8.888 13.682 ( 14.118 0.687 -0.770) 14.156 13.986 ( -9.944 0.508 1.146) 10.022 14.304 ( 8.276 -2.430 1.848) 8.821 14.884 ( -9.600 4.157 -0.776) 10.490 15.029 ( 5.494 1.121 1.672) 5.852 15.215 ( 3.882 6.635 -0.370) 7.696 15.288 ( 3.431 -5.217 -0.100) 6.245 15.632 ( 1.891 -9.884 -5.189) 11.323 15.695 ( 4.817 -6.066 -4.906) 9.169 16.187 ( -6.271 1.526 5.060) 8.201 16.423 ( 3.394 -1.427 -1.337) 3.917 16.597 ( -0.213 1.963 6.529) 6.821 16.735 ( 1.344 -5.807 0.003) 5.960 17.007 ( -0.148 -2.951 1.045) 3.134 17.068 ( 1.593 -5.253 0.855) 5.555 18.807 ( 4.894 2.918 3.555) 6.716 19.028 ( -9.598 5.926 -14.753) 18.571 19.855 ( -24.720 11.015 8.116) 28.254 20.532 ( 18.276 21.813 6.038) 29.091 21.279 ( -0.072 -8.790 5.101) 10.163 21.626 ( 3.853 -14.117 -5.100) 15.496 21.950 ( -1.417 -3.088 -4.210) 5.410 22.008 ( 5.921 -5.576 -3.798) 8.976 22.416 ( -8.534 -0.746 -2.707) 8.984 22.465 ( 4.813 -3.392 1.931) 6.197 ======================= Grid point 262 (129/172) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( -14.888 5.090 3.769) 16.179 3.686 ( -12.186 5.817 3.588) 13.972 4.036 ( -27.372 -5.151 4.686) 28.244 4.251 ( -10.216 1.075 1.785) 10.426 4.842 ( -13.120 2.301 -5.987) 14.603 5.066 ( 5.080 4.965 3.347) 7.853 5.728 ( 5.348 1.281 -8.613) 10.219 5.966 ( 8.615 11.416 -7.367) 16.088 6.062 ( 15.430 6.717 7.795) 18.546 6.563 ( 6.516 -1.775 -3.995) 7.847 6.802 ( 3.161 -3.629 -2.751) 5.543 7.056 ( 7.265 10.716 -4.242) 13.624 7.642 ( -5.950 -0.395 18.330) 19.275 8.148 ( 2.699 3.321 -2.485) 4.949 8.426 ( -1.665 -7.724 6.882) 10.479 8.612 ( -6.600 -0.938 -7.049) 9.702 8.815 ( -2.679 -3.068 1.257) 4.263 8.845 ( -2.676 2.373 -7.651) 8.446 8.931 ( -3.070 -2.215 -2.964) 4.808 9.270 ( 5.995 -4.381 0.100) 7.426 11.009 ( -5.436 -1.108 -11.830) 13.066 11.096 ( 8.174 -2.244 0.032) 8.476 11.338 ( -9.249 5.903 2.285) 11.208 11.473 ( -0.983 11.387 6.961) 13.382 11.548 ( -6.937 9.418 3.467) 12.200 11.895 ( -1.403 -1.158 3.610) 4.043 12.067 ( 3.144 5.571 -2.916) 7.030 12.118 ( -5.767 6.905 1.685) 9.153 12.365 ( -11.861 1.539 -0.020) 11.960 12.574 ( 13.306 4.778 1.250) 14.193 12.843 ( -1.915 -10.183 -0.419) 10.369 12.918 ( -2.045 2.517 1.038) 3.405 13.072 ( -4.161 3.076 1.056) 5.282 13.290 ( 3.065 3.177 -1.686) 4.726 13.573 ( 9.890 1.487 -3.371) 10.554 13.820 ( 15.026 2.087 -3.304) 15.526 13.870 ( -11.732 -2.004 5.934) 13.299 14.474 ( 7.413 -4.815 5.827) 10.587 14.630 ( -8.460 7.084 -4.399) 11.879 15.129 ( 4.490 -0.593 -3.244) 5.571 15.202 ( 4.688 -0.026 6.088) 7.684 15.388 ( 0.740 -4.633 -2.650) 5.388 15.684 ( 0.994 2.574 -6.128) 6.720 15.947 ( 7.939 -10.409 -3.536) 13.560 16.071 ( -9.506 1.550 5.779) 11.232 16.511 ( 5.288 0.926 2.400) 5.881 16.599 ( -2.693 -8.120 3.430) 9.217 16.884 ( 2.855 -6.459 2.206) 7.398 17.093 ( 2.110 -5.681 -1.213) 6.180 17.193 ( 2.289 -5.545 0.107) 6.000 18.740 ( -9.072 10.519 -9.994) 17.113 18.778 ( 2.580 6.305 -0.409) 6.824 19.397 ( -22.505 10.400 6.300) 25.580 20.300 ( 8.245 21.079 5.709) 23.343 21.435 ( -1.613 -8.329 3.225) 9.076 21.815 ( 1.403 -5.556 -1.548) 5.936 21.982 ( -2.984 -3.775 -7.211) 8.669 22.160 ( 1.083 0.460 -8.321) 8.403 22.402 ( 0.745 -10.726 3.327) 11.255 22.700 ( 11.261 -10.395 3.387) 15.695 ======================= Grid point 263 (130/172) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -18.730 4.813 0.787) 19.354 3.375 ( -27.305 0.572 4.386) 27.661 3.673 ( -34.496 2.563 -0.382) 34.593 4.168 ( 2.866 5.885 3.812) 7.575 4.647 ( -8.836 7.171 -5.665) 12.712 5.100 ( 6.864 -1.618 12.134) 14.035 5.712 ( 3.980 5.823 -10.209) 12.409 5.867 ( 6.654 8.252 -7.762) 13.138 6.094 ( 10.308 9.945 9.569) 17.226 6.589 ( -6.247 -1.641 -2.998) 7.121 6.843 ( 16.015 5.074 -15.312) 22.731 7.175 ( 12.931 -6.792 3.460) 15.010 7.612 ( -5.605 -0.696 18.314) 19.165 8.135 ( 9.706 4.341 1.212) 10.701 8.525 ( -10.597 -4.241 -7.226) 13.509 8.569 ( -1.476 -6.924 1.512) 7.239 8.780 ( -4.172 1.349 3.922) 5.883 8.850 ( -0.649 -2.326 -3.352) 4.131 8.948 ( 0.114 -3.150 -7.739) 8.356 9.393 ( 3.182 -3.409 -0.416) 4.681 10.927 ( -6.425 1.477 -8.093) 10.438 11.114 ( -13.416 0.314 -5.081) 14.349 11.173 ( -2.877 8.498 3.936) 9.797 11.284 ( 1.534 13.693 3.967) 14.339 11.314 ( 2.012 1.865 6.542) 7.094 11.822 ( -5.211 6.357 -2.665) 8.641 11.921 ( -0.136 5.577 1.549) 5.790 12.070 ( -3.409 2.286 -5.909) 7.195 12.243 ( -2.729 -1.099 6.715) 7.331 12.604 ( 9.497 6.725 4.161) 12.359 12.803 ( -3.545 4.978 -1.856) 6.387 12.986 ( -3.348 -5.656 6.402) 9.175 13.083 ( 3.097 -5.224 -4.062) 7.307 13.321 ( 7.984 1.008 -2.348) 8.383 13.505 ( 1.026 10.772 -4.851) 11.858 13.817 ( -10.770 -3.938 10.492) 15.543 13.970 ( 13.251 -0.963 -4.280) 13.958 14.479 ( -6.799 -2.029 -5.212) 8.803 14.635 ( 6.658 -1.422 4.638) 8.238 15.092 ( 0.834 6.024 -4.382) 7.496 15.344 ( 4.980 -5.747 7.782) 10.881 15.456 ( -0.375 -2.534 -2.052) 3.283 15.619 ( 2.233 3.105 -6.752) 7.760 15.948 ( -8.430 1.001 6.538) 10.714 16.182 ( 5.417 -8.544 -2.905) 10.526 16.503 ( 1.244 3.686 6.868) 7.893 16.816 ( 4.175 -11.810 1.291) 12.592 16.995 ( -1.766 -4.956 0.792) 5.321 17.229 ( 3.565 -4.686 -3.502) 6.851 17.298 ( 1.501 -4.493 -0.891) 4.820 18.430 ( -5.869 11.814 -5.056) 14.127 18.705 ( 3.630 5.435 -2.797) 7.109 19.022 ( -17.811 6.762 5.926) 19.952 20.042 ( 0.856 15.019 4.012) 15.569 21.511 ( -4.266 -3.630 -1.524) 5.805 21.898 ( -0.642 -3.356 1.232) 3.632 21.977 ( -3.583 -3.075 -7.922) 9.222 22.138 ( -1.000 -1.579 -4.076) 4.484 22.625 ( 6.382 -6.691 8.295) 12.422 23.052 ( 12.762 -11.283 -2.068) 17.160 ======================= Grid point 264 (131/172) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -19.348 0.391 8.284) 21.050 3.104 ( -22.579 -3.938 -3.585) 23.198 3.324 ( -26.163 -5.231 1.336) 26.714 4.094 ( 8.888 10.970 0.675) 14.135 4.367 ( -4.106 14.125 -0.531) 14.720 5.282 ( 8.357 -4.949 10.074) 13.993 5.605 ( 3.084 7.938 -9.748) 12.944 5.806 ( 1.554 2.797 -7.053) 7.745 5.978 ( 5.269 12.959 7.635) 15.937 6.523 ( -5.862 -1.861 -8.024) 10.110 7.046 ( 17.041 -5.093 -7.385) 19.258 7.340 ( -2.633 -0.686 8.326) 8.760 7.659 ( 4.753 -4.033 9.649) 11.487 8.223 ( 14.140 2.575 2.928) 14.668 8.485 ( -8.470 -6.370 -5.714) 12.040 8.650 ( -4.042 0.993 7.557) 8.628 8.678 ( -7.923 -1.678 0.273) 8.104 8.871 ( -0.068 -1.298 -4.763) 4.937 9.011 ( 3.075 -3.075 -10.172) 11.062 9.456 ( 0.437 -1.805 -1.157) 2.188 10.768 ( -7.564 5.482 -0.750) 9.372 10.933 ( -8.524 2.954 -0.467) 9.033 11.003 ( -4.369 3.436 -0.333) 5.568 11.134 ( 2.932 4.711 -1.552) 5.762 11.425 ( 7.384 -1.863 3.985) 8.595 11.632 ( -3.524 7.783 -3.423) 9.204 11.859 ( 4.251 4.785 2.690) 6.943 11.924 ( -11.216 0.356 -7.226) 13.347 12.328 ( 5.238 -2.018 8.715) 10.366 12.536 ( -1.325 7.959 -6.561) 10.399 12.724 ( 3.029 2.112 8.621) 9.378 13.029 ( -1.376 -1.960 5.542) 6.038 13.203 ( -1.103 -5.714 -0.020) 5.819 13.282 ( -3.568 10.500 -1.218) 11.156 13.397 ( 4.111 -0.487 -2.538) 4.856 13.809 ( -0.673 -2.749 5.063) 5.800 14.120 ( 8.019 -2.155 -4.522) 9.455 14.459 ( -6.366 -4.163 -3.325) 8.302 14.724 ( 4.414 -1.648 -1.931) 5.092 14.945 ( -2.091 7.914 -2.702) 8.620 15.445 ( -2.630 -0.437 0.424) 2.699 15.477 ( 0.935 -1.824 3.288) 3.874 15.653 ( 4.656 -1.437 0.184) 4.876 15.885 ( -3.785 -1.535 5.248) 6.650 16.383 ( 6.009 -5.795 0.891) 8.395 16.446 ( 0.918 3.807 4.720) 6.132 17.021 ( -5.966 -3.386 1.405) 7.002 17.037 ( 3.257 -6.970 -1.954) 7.938 17.273 ( 2.413 1.431 -4.263) 5.103 17.392 ( 0.249 -4.140 -3.092) 5.174 18.216 ( -0.257 8.017 1.603) 8.180 18.635 ( -13.074 0.438 6.766) 14.727 18.831 ( 8.181 4.714 -6.289) 11.344 19.825 ( -3.760 7.931 2.307) 9.075 21.475 ( -5.597 -0.537 -4.765) 7.370 21.924 ( -1.191 -2.026 0.572) 2.418 22.013 ( -0.547 -3.037 -1.676) 3.512 22.154 ( -0.169 -1.072 -4.862) 4.981 22.809 ( 3.316 -6.205 10.820) 12.906 23.312 ( 9.554 -3.613 -5.113) 11.422 ======================= Grid point 271 (132/172) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( -20.458 -0.000 4.506) 20.948 3.727 ( -27.155 -0.000 8.992) 28.605 3.970 ( 14.300 0.000 9.162) 16.983 4.210 ( -24.440 -0.000 -9.103) 26.080 4.895 ( -20.714 -0.000 -6.090) 21.591 5.128 ( 5.285 0.000 -1.479) 5.488 5.752 ( 7.197 0.000 -11.208) 13.320 6.203 ( 17.477 0.000 10.914) 20.604 6.349 ( 8.285 0.000 -7.761) 11.353 6.377 ( 13.909 0.000 -7.766) 15.930 6.743 ( -11.803 -0.000 9.201) 14.966 7.326 ( 4.203 0.000 -5.056) 6.574 7.784 ( 6.868 0.000 13.909) 15.512 7.862 ( -5.883 -0.000 4.922) 7.671 8.505 ( -6.694 -0.000 -2.547) 7.162 8.558 ( 0.301 0.000 -3.022) 3.037 8.733 ( -10.188 -0.000 0.939) 10.231 8.867 ( -1.090 -0.000 -1.745) 2.058 8.931 ( -4.492 -0.000 -8.102) 9.264 9.166 ( 6.314 0.000 0.580) 6.341 10.982 ( -3.780 -0.000 -13.214) 13.744 11.047 ( 5.925 0.000 -2.928) 6.609 11.503 ( -9.907 -0.000 -1.357) 10.000 11.665 ( 5.031 0.000 10.403) 11.556 11.737 ( -3.745 -0.000 5.483) 6.640 11.818 ( -4.180 -0.000 3.173) 5.248 12.201 ( -0.506 -0.000 -2.992) 3.035 12.279 ( -12.847 -0.000 7.580) 14.917 12.424 ( -4.725 -0.000 1.954) 5.113 12.583 ( -5.593 -0.000 0.717) 5.638 12.589 ( 16.367 0.000 -9.428) 18.888 13.047 ( 6.518 0.000 5.623) 8.608 13.184 ( -9.852 -0.000 -1.807) 10.017 13.373 ( -1.653 -0.000 1.357) 2.139 13.507 ( 8.880 0.000 -0.727) 8.910 13.733 ( -4.725 -0.000 2.367) 5.285 14.006 ( 10.772 0.000 -5.372) 12.037 14.330 ( 1.706 0.000 1.207) 2.090 14.865 ( -0.618 -0.000 3.268) 3.326 15.168 ( 4.250 0.000 -3.241) 5.344 15.290 ( 6.263 0.000 0.097) 6.263 15.330 ( 2.009 0.000 4.027) 4.500 15.480 ( 4.723 0.000 -5.751) 7.442 15.734 ( 8.565 0.000 -5.291) 10.068 16.167 ( -3.551 -0.000 6.557) 7.457 16.403 ( -2.822 -0.000 -2.514) 3.780 16.563 ( -4.195 -0.000 -5.797) 7.155 16.773 ( 7.396 0.000 10.974) 13.234 17.011 ( 2.530 0.000 0.007) 2.530 17.014 ( 0.459 0.000 2.004) 2.056 18.862 ( -1.298 -0.000 6.358) 6.489 18.915 ( -13.063 -0.000 -15.093) 19.961 19.662 ( -26.330 -0.000 4.156) 26.656 21.093 ( 21.383 0.000 12.450) 24.743 21.235 ( 6.511 0.000 0.324) 6.519 21.414 ( -0.159 -0.000 -5.879) 5.882 21.897 ( -2.069 -0.000 -5.741) 6.102 21.989 ( 3.139 0.000 -2.772) 4.188 22.258 ( -13.436 -0.000 -8.114) 15.696 22.565 ( 11.734 0.000 8.057) 14.234 ======================= Grid point 272 (133/172) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -25.667 3.075 4.291) 26.205 3.453 ( -33.507 -2.756 1.875) 33.672 3.801 ( -22.434 7.565 -0.077) 23.675 4.194 ( 4.804 -3.564 2.245) 6.389 4.615 ( -23.982 -2.120 -3.535) 24.334 5.152 ( -0.266 0.820 2.954) 3.078 5.836 ( 11.671 1.781 -14.585) 18.765 6.272 ( 10.187 12.502 -8.020) 18.011 6.373 ( 15.457 4.855 10.535) 19.325 6.538 ( -3.430 -0.618 4.723) 5.870 6.776 ( 11.126 -8.690 -1.553) 14.202 7.305 ( 4.523 6.499 -4.497) 9.106 7.649 ( -3.589 6.944 13.948) 15.989 8.095 ( 4.076 -12.128 3.151) 13.177 8.379 ( -2.903 4.389 -0.423) 5.279 8.498 ( -10.004 -0.110 -8.768) 13.303 8.712 ( -2.296 -4.040 6.919) 8.334 8.834 ( -2.445 0.469 -6.977) 7.408 8.887 ( -1.408 -0.669 -3.904) 4.204 9.255 ( 3.464 -3.186 0.240) 4.713 10.921 ( -4.107 -0.241 -12.594) 13.249 11.064 ( -5.127 -1.695 -8.956) 10.458 11.371 ( -2.941 4.602 4.030) 6.788 11.589 ( -7.560 7.529 6.529) 12.509 11.690 ( -0.231 5.166 3.292) 6.130 11.843 ( 1.605 -3.201 5.317) 6.411 12.006 ( -18.175 5.423 4.247) 19.436 12.236 ( 0.943 -0.334 -0.215) 1.023 12.338 ( -3.454 4.948 -0.526) 6.057 12.599 ( -2.924 -5.774 2.866) 7.078 12.791 ( 14.717 -2.352 -6.941) 16.441 13.040 ( 3.419 7.238 1.823) 8.210 13.073 ( -3.320 2.697 2.429) 4.920 13.371 ( 4.418 1.448 -0.203) 4.654 13.615 ( 2.267 -3.542 -0.998) 4.322 13.677 ( -10.670 -3.186 2.714) 11.462 14.083 ( 14.242 6.287 -5.297) 16.445 14.423 ( 3.179 -5.974 1.327) 6.896 14.782 ( 3.331 10.499 -0.539) 11.028 15.199 ( 7.408 0.525 1.963) 7.682 15.296 ( 2.795 1.693 3.756) 4.979 15.366 ( 5.299 1.126 -1.429) 5.603 15.728 ( 6.458 -11.592 -6.324) 14.700 15.787 ( 1.224 1.326 -2.534) 3.111 16.096 ( -1.343 4.167 3.907) 5.868 16.414 ( -4.857 -7.767 -2.528) 9.503 16.555 ( 2.121 -1.800 -2.226) 3.563 16.859 ( 2.349 -0.845 11.128) 11.404 17.045 ( 3.401 -3.146 -1.302) 4.813 17.114 ( 1.933 -5.876 0.937) 6.256 18.699 ( -14.320 3.519 -13.367) 19.903 18.802 ( -10.281 0.608 8.484) 13.343 19.325 ( -17.697 7.591 -1.341) 19.303 20.886 ( 10.333 30.831 5.594) 32.994 21.294 ( -0.389 -6.065 2.224) 6.472 21.727 ( 5.444 -8.639 -3.169) 10.692 21.870 ( -4.988 -2.330 -6.695) 8.668 22.091 ( -7.012 -1.271 -8.262) 10.911 22.220 ( 8.381 -17.188 1.819) 19.209 22.738 ( 12.251 -2.801 8.049) 14.923 ======================= Grid point 273 (134/172) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -26.241 -0.173 6.905) 27.135 3.029 ( -36.347 1.543 -5.754) 36.832 3.357 ( -32.104 7.926 3.354) 33.237 4.244 ( -3.776 -3.320 7.722) 9.214 4.508 ( -8.653 -5.019 -10.143) 14.246 5.136 ( -2.813 -1.629 10.192) 10.698 5.859 ( 7.873 6.435 -13.694) 17.056 6.122 ( 6.350 13.872 -8.499) 17.464 6.435 ( 13.312 10.213 9.323) 19.195 6.492 ( -4.872 -0.479 2.466) 5.482 7.070 ( 15.274 -2.223 -9.940) 18.359 7.264 ( 11.490 2.685 0.375) 11.805 7.553 ( -6.848 0.341 17.740) 19.019 8.257 ( -11.150 -6.440 -2.757) 13.168 8.319 ( 7.108 2.359 -0.912) 7.545 8.449 ( -0.540 -5.165 -2.191) 5.636 8.739 ( -4.151 -0.438 5.950) 7.268 8.819 ( 0.939 -1.947 -9.498) 9.741 8.901 ( 0.502 -2.036 -1.569) 2.619 9.343 ( 0.156 -4.266 -0.945) 4.372 10.847 ( -5.977 0.019 -10.361) 11.962 10.941 ( -13.742 0.204 -9.027) 16.443 11.292 ( -6.275 9.638 4.083) 12.204 11.371 ( -1.118 2.746 9.360) 9.818 11.550 ( 2.258 11.733 2.522) 12.211 11.753 ( -18.013 -1.772 -0.751) 18.116 11.887 ( -0.612 0.548 0.312) 0.878 12.179 ( -2.464 8.140 -2.260) 8.800 12.288 ( 7.870 0.119 3.698) 8.696 12.671 ( -4.207 -5.270 5.167) 8.496 12.875 ( -1.817 5.217 -3.250) 6.409 12.979 ( 10.751 5.409 5.844) 13.379 13.061 ( 3.360 -1.493 -3.881) 5.346 13.409 ( 2.718 0.819 -1.928) 3.431 13.568 ( -9.411 2.609 -1.941) 9.957 13.665 ( -2.161 -4.436 3.385) 5.984 14.162 ( 16.106 3.930 -4.859) 17.276 14.493 ( 5.157 3.584 -3.193) 7.045 14.717 ( 6.024 3.397 4.554) 8.280 15.233 ( 3.478 6.649 -2.739) 7.988 15.332 ( 2.385 -3.326 8.927) 9.821 15.445 ( 6.722 -1.063 -1.741) 7.025 15.674 ( -4.236 3.681 -1.714) 5.868 15.866 ( -2.897 -1.201 -0.031) 3.136 16.126 ( 6.180 -4.615 -3.719) 8.563 16.517 ( -1.036 -5.228 -0.060) 5.330 16.683 ( 5.024 -8.684 1.641) 10.166 16.901 ( -2.893 -2.615 7.644) 8.581 17.171 ( 4.119 -5.755 -3.160) 7.750 17.234 ( 1.039 -5.061 0.149) 5.169 18.441 ( -13.667 4.654 -9.118) 17.075 18.637 ( -20.410 -0.611 10.256) 22.850 19.060 ( -1.145 7.979 -7.649) 11.112 20.445 ( 1.696 27.610 5.025) 28.115 21.380 ( -3.997 -5.217 -1.041) 6.654 21.825 ( -4.745 -5.892 -6.781) 10.159 21.850 ( -0.955 -1.878 0.355) 2.137 22.054 ( -3.127 -3.293 -2.825) 5.348 22.636 ( 12.789 -8.406 2.952) 15.586 23.014 ( 14.651 -10.798 3.101) 18.463 ======================= Grid point 274 (135/172) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -29.985 -4.046 10.549) 32.043 2.684 ( -20.747 -3.244 -9.584) 23.083 2.918 ( -30.781 -2.479 8.865) 32.128 4.296 ( -0.603 -2.794 7.299) 7.839 4.432 ( -5.169 2.728 -9.493) 11.148 5.221 ( -1.089 -8.420 9.493) 12.735 5.753 ( 2.609 9.865 -11.552) 15.414 5.940 ( 3.145 10.380 -7.212) 13.025 6.325 ( 7.291 14.925 7.700) 18.309 6.447 ( -2.058 2.048 -7.489) 8.032 7.201 ( 13.061 -0.019 -4.188) 13.716 7.330 ( -2.254 4.976 9.519) 10.975 7.628 ( 5.369 -7.533 7.500) 11.909 8.204 ( -12.658 -9.181 -5.380) 16.537 8.424 ( 10.891 0.675 3.056) 11.331 8.533 ( -3.067 -2.642 -3.486) 5.343 8.666 ( -3.327 1.596 7.195) 8.086 8.866 ( 2.839 -0.276 -6.023) 6.664 8.963 ( 2.309 -4.535 -4.890) 7.057 9.400 ( -1.833 -3.658 -2.209) 4.650 10.723 ( -10.714 2.968 -2.784) 11.460 10.795 ( -10.124 -2.533 -8.249) 13.302 11.019 ( -8.251 6.524 4.399) 11.402 11.329 ( 3.909 8.252 3.928) 9.940 11.494 ( 5.894 0.608 3.140) 6.706 11.634 ( -10.146 -2.660 -4.017) 11.231 11.804 ( -5.106 4.013 -4.343) 7.813 12.023 ( 0.921 7.451 -0.928) 7.565 12.405 ( 8.097 -0.735 8.060) 11.448 12.638 ( -7.652 7.789 -4.253) 11.718 12.744 ( -2.199 -1.429 4.952) 5.603 13.025 ( 5.898 2.862 5.932) 8.842 13.126 ( -0.025 -3.142 -0.729) 3.226 13.345 ( -9.022 1.456 3.123) 9.657 13.395 ( -4.170 5.081 -5.954) 8.869 13.823 ( 12.952 -4.859 -0.682) 13.850 14.254 ( 12.141 4.864 -3.456) 13.528 14.470 ( 6.213 5.912 0.419) 8.586 14.735 ( 1.421 -0.328 -1.949) 2.434 15.088 ( -1.019 9.305 -1.176) 9.434 15.402 ( -0.643 -1.987 2.436) 3.209 15.492 ( 0.227 1.782 3.480) 3.916 15.650 ( -0.101 -2.461 3.360) 4.166 15.865 ( 3.564 -0.693 0.497) 3.665 16.303 ( 5.585 -7.971 -4.860) 10.878 16.544 ( 1.527 2.095 4.818) 5.471 16.874 ( -6.212 -5.625 3.628) 9.131 16.939 ( 1.891 -7.061 -0.380) 7.319 17.292 ( 2.826 -2.304 -4.162) 5.533 17.311 ( 0.114 -4.737 -1.809) 5.072 18.224 ( -12.661 1.615 -0.621) 12.778 18.428 ( -19.562 -1.666 6.835) 20.789 19.010 ( 10.910 2.920 -10.652) 15.525 20.015 ( -5.766 18.914 4.948) 20.383 21.379 ( -4.956 -2.234 -3.483) 6.456 21.865 ( -2.238 -4.720 -0.701) 5.271 21.911 ( -0.994 -4.725 1.080) 4.948 22.093 ( -1.138 -3.718 -3.648) 5.332 22.828 ( 7.795 -1.319 7.363) 10.803 23.354 ( 13.405 -6.461 -3.564) 15.301 ======================= Grid point 282 (136/172) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -30.435 -0.000 -3.399) 30.624 3.037 ( -34.100 -0.000 12.219) 36.223 3.564 ( -28.896 -0.000 1.936) 28.961 4.230 ( -33.992 -0.000 3.016) 34.126 4.277 ( 11.149 0.000 -10.889) 15.584 5.094 ( -11.265 -0.000 2.763) 11.599 5.992 ( 15.776 0.000 -19.396) 25.002 6.408 ( -6.116 -0.000 10.729) 12.349 6.580 ( 12.029 0.000 -6.145) 13.508 6.658 ( 15.337 0.000 6.165) 16.529 6.805 ( 15.026 0.000 3.816) 15.503 7.353 ( -1.151 -0.000 5.048) 5.178 7.716 ( -8.198 -0.000 5.644) 9.953 8.066 ( 14.519 0.000 0.835) 14.543 8.347 ( -10.985 -0.000 -10.143) 14.952 8.419 ( 0.394 0.000 -0.793) 0.885 8.670 ( 0.374 0.000 6.674) 6.685 8.788 ( -4.918 -0.000 -1.546) 5.155 8.856 ( -0.062 -0.000 -8.353) 8.354 9.250 ( 0.403 0.000 0.080) 0.411 10.861 ( -3.382 -0.000 -12.068) 12.533 10.930 ( -11.687 -0.000 -11.375) 16.309 11.405 ( -0.208 -0.000 5.443) 5.447 11.535 ( -15.311 -0.000 -0.600) 15.323 11.645 ( -9.586 -0.000 4.573) 10.621 11.873 ( 5.224 0.000 7.313) 8.987 12.024 ( -11.970 -0.000 -1.268) 12.037 12.035 ( -8.451 -0.000 8.043) 11.667 12.376 ( 0.299 0.000 0.525) 0.604 12.606 ( 6.914 0.000 -1.147) 7.009 12.871 ( 4.630 0.000 -4.997) 6.812 13.081 ( 2.357 0.000 -1.598) 2.848 13.197 ( 6.553 0.000 6.227) 9.040 13.432 ( 2.968 0.000 -1.314) 3.246 13.543 ( -7.430 -0.000 0.583) 7.453 13.578 ( 0.711 0.000 0.857) 1.113 14.322 ( 14.279 0.000 -5.643) 15.354 14.413 ( 9.345 0.000 -0.026) 9.345 14.948 ( 6.125 0.000 2.426) 6.588 15.258 ( 4.771 0.000 -2.044) 5.191 15.337 ( -0.043 -0.000 5.822) 5.823 15.567 ( 2.496 0.000 -4.072) 4.776 15.569 ( 12.586 0.000 -0.134) 12.587 15.886 ( 5.052 0.000 -2.281) 5.543 16.161 ( 2.270 0.000 4.400) 4.951 16.238 ( -6.501 -0.000 -8.928) 11.044 16.522 ( -1.392 -0.000 -2.518) 2.877 16.909 ( 0.547 0.000 14.004) 14.015 17.043 ( 1.598 0.000 2.266) 2.772 17.082 ( 3.342 0.000 -2.517) 4.184 18.526 ( -16.036 -0.000 -14.797) 21.820 18.616 ( -23.983 -0.000 13.850) 27.695 19.243 ( -7.231 -0.000 -6.582) 9.778 21.235 ( -0.838 -0.000 2.144) 2.302 21.401 ( 0.674 0.000 -5.678) 5.718 21.631 ( 0.306 0.000 -23.601) 23.603 21.836 ( 10.993 0.000 15.627) 19.106 22.023 ( -2.009 -0.000 4.881) 5.278 22.048 ( 2.756 0.000 -3.054) 4.114 22.873 ( 12.206 0.000 8.690) 14.983 ======================= Grid point 283 (137/172) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -39.211 0.848 -3.453) 39.372 2.623 ( -30.712 0.858 13.650) 33.619 3.186 ( -26.876 7.861 -2.404) 28.105 3.911 ( -29.117 -9.012 15.031) 33.984 4.400 ( 3.752 -3.379 -18.985) 19.645 4.959 ( -17.536 -5.689 3.579) 18.780 6.077 ( 12.666 6.863 -15.187) 20.933 6.365 ( -2.988 2.549 3.457) 5.232 6.527 ( 9.732 11.434 -1.239) 15.065 6.796 ( 13.921 8.153 7.771) 17.907 7.108 ( 14.767 -8.953 -0.190) 17.270 7.361 ( -0.059 -2.139 8.879) 9.133 7.594 ( -2.974 4.499 3.947) 6.683 8.090 ( -5.800 4.893 -7.338) 10.556 8.346 ( -0.593 -3.471 -2.400) 4.262 8.458 ( 12.414 -2.379 0.208) 12.641 8.698 ( -2.803 -0.387 0.602) 2.893 8.759 ( -1.110 -3.150 -0.354) 3.359 8.874 ( 1.916 -2.178 -6.284) 6.921 9.259 ( -2.956 -2.790 -1.214) 4.242 10.750 ( -11.192 0.699 -11.252) 15.886 10.797 ( -8.222 0.667 -8.422) 11.788 11.323 ( -14.001 4.703 0.740) 14.788 11.401 ( -2.806 -0.560 6.102) 6.740 11.501 ( -14.702 -0.114 1.565) 14.785 11.733 ( -3.914 9.459 1.593) 10.360 11.928 ( 2.896 1.870 2.301) 4.145 12.116 ( -9.033 -8.017 3.513) 12.578 12.361 ( 2.053 1.840 0.945) 2.914 12.661 ( 5.919 2.520 0.577) 6.459 12.884 ( -2.957 -0.510 -1.655) 3.427 13.111 ( 5.378 2.891 -2.880) 6.751 13.180 ( -3.695 2.634 6.834) 8.203 13.413 ( 1.842 4.367 -1.080) 4.861 13.515 ( -0.967 0.207 -3.187) 3.337 13.669 ( 12.129 -2.550 0.616) 12.409 14.426 ( 16.974 3.865 -5.196) 18.167 14.582 ( 9.292 -2.015 -2.077) 9.732 14.937 ( 7.511 9.362 4.445) 12.799 15.304 ( -3.272 0.672 5.140) 6.130 15.340 ( 4.592 -0.211 -2.032) 5.026 15.555 ( 3.628 -0.060 0.681) 3.692 15.666 ( -1.347 6.710 3.300) 7.598 15.882 ( 5.413 0.786 -7.547) 9.321 16.161 ( 5.051 1.886 -2.250) 5.843 16.338 ( 0.894 -12.467 -4.186) 13.182 16.571 ( -1.515 -7.642 -0.870) 7.839 16.885 ( -3.499 2.061 14.417) 14.978 17.124 ( 3.315 -4.199 -2.077) 5.739 17.149 ( 0.535 -4.836 0.415) 4.883 18.289 ( -19.433 1.923 -6.116) 20.463 18.358 ( -24.016 -1.954 6.171) 24.873 19.152 ( 0.573 3.666 -8.955) 9.693 20.960 ( -8.165 29.277 -11.901) 32.641 21.272 ( -0.088 -1.617 3.961) 4.279 21.620 ( -7.953 -6.881 -8.475) 13.507 21.885 ( 4.994 4.066 4.407) 7.804 21.975 ( -1.917 -1.485 -0.117) 2.428 22.559 ( 18.542 -21.574 3.563) 28.669 23.051 ( 12.399 -3.918 8.238) 15.393 ======================= Grid point 284 (138/172) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -36.843 -5.576 7.829) 38.077 2.381 ( -25.089 -6.598 9.494) 27.624 2.703 ( -20.557 11.112 -6.522) 24.261 3.930 ( -21.356 -20.142 18.533) 34.717 4.379 ( -7.104 -1.333 -14.757) 16.432 4.962 ( -11.559 -12.593 -1.745) 17.182 6.007 ( 7.351 11.741 -5.921) 15.065 6.178 ( -0.925 13.908 -2.884) 14.234 6.491 ( 7.553 5.988 -5.793) 11.246 6.734 ( 10.355 14.709 5.475) 18.803 7.234 ( -3.577 1.867 9.563) 10.380 7.540 ( 6.817 4.555 -2.314) 8.519 7.564 ( 9.026 -7.964 5.635) 13.291 7.940 ( -7.490 -2.253 -7.004) 10.499 8.371 ( -3.519 -3.627 -0.501) 5.079 8.610 ( -3.302 4.771 -1.086) 5.903 8.667 ( 8.780 -2.852 2.469) 9.556 8.873 ( 7.226 -6.078 -2.550) 9.780 8.919 ( 1.154 -0.652 -4.156) 4.363 9.282 ( -3.953 -5.061 -3.380) 7.257 10.604 ( -12.573 -0.919 -6.130) 14.018 10.661 ( -7.350 1.213 -6.734) 10.042 11.030 ( -14.043 7.772 6.793) 17.429 11.349 ( -14.162 -7.201 -7.491) 17.565 11.464 ( 3.795 0.732 4.477) 5.915 11.618 ( 2.260 4.292 1.828) 5.184 11.859 ( -2.090 5.838 -2.117) 6.552 12.076 ( -7.629 0.827 0.519) 7.691 12.397 ( -1.136 -3.436 3.028) 4.718 12.683 ( 5.303 3.099 6.063) 8.630 12.767 ( -7.798 6.415 -0.926) 10.140 13.004 ( -11.145 -0.990 2.410) 11.445 13.217 ( 9.912 1.891 -0.212) 10.093 13.375 ( 7.192 6.067 0.532) 9.424 13.422 ( -3.495 5.525 -5.371) 8.461 13.926 ( 19.167 -4.387 -0.420) 19.667 14.530 ( 14.802 7.965 -3.458) 17.161 14.668 ( 6.997 0.623 -5.414) 8.869 14.807 ( 1.832 12.144 5.641) 13.515 15.178 ( -6.495 4.653 2.503) 8.372 15.397 ( 1.967 -0.101 2.031) 2.829 15.505 ( -4.920 1.260 5.337) 7.367 15.666 ( 8.187 1.339 0.528) 8.313 15.912 ( 4.394 0.040 -2.885) 5.257 16.239 ( 4.550 -4.778 -4.831) 8.177 16.542 ( 3.529 -5.981 -3.328) 7.701 16.697 ( -5.421 -7.608 3.671) 10.037 16.853 ( -2.323 -3.042 8.394) 9.226 17.217 ( -0.265 -5.051 -2.624) 5.698 17.255 ( 2.259 -4.846 -1.918) 5.681 18.023 ( -22.697 -0.121 5.832) 23.435 18.178 ( -15.683 -3.823 -4.350) 16.718 19.134 ( 7.432 1.157 -10.587) 12.987 20.301 ( -16.656 25.413 -3.055) 30.538 21.302 ( -0.301 -1.671 1.681) 2.389 21.682 ( -4.696 -8.862 -0.148) 10.030 21.893 ( 2.486 0.390 1.849) 3.123 22.010 ( -0.615 -3.723 -1.260) 3.978 22.930 ( 11.396 -1.565 3.924) 12.154 23.371 ( 15.291 -10.260 0.144) 18.415 ======================= Grid point 293 (139/172) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -38.557 -0.000 -2.043) 38.611 2.277 ( -35.411 -0.000 17.354) 39.435 2.951 ( -23.737 -0.000 1.618) 23.792 3.496 ( -29.695 -0.000 17.249) 34.341 4.345 ( -8.054 -0.000 -21.714) 23.160 4.662 ( -16.024 -0.000 -4.471) 16.636 6.295 ( 15.564 0.000 -22.592) 27.434 6.303 ( -8.861 -0.000 17.025) 19.193 6.829 ( 11.039 0.000 -2.863) 11.404 7.001 ( 13.735 0.000 1.669) 13.836 7.211 ( 16.657 0.000 8.407) 18.658 7.325 ( -3.353 -0.000 11.424) 11.906 7.557 ( -5.523 -0.000 1.661) 5.767 8.142 ( -3.880 -0.000 -6.690) 7.734 8.331 ( 6.074 0.000 -12.067) 13.510 8.558 ( 7.361 0.000 5.348) 9.098 8.677 ( 1.441 0.000 -3.800) 4.064 8.718 ( 2.481 0.000 2.471) 3.502 8.867 ( 2.965 0.000 -7.600) 8.158 9.183 ( -5.462 -0.000 -2.166) 5.876 10.587 ( -13.658 -0.000 -9.446) 16.606 10.718 ( -6.777 -0.000 -7.492) 10.103 11.156 ( -14.562 -0.000 -7.369) 16.320 11.249 ( -20.586 -0.000 8.187) 22.155 11.476 ( 1.136 0.000 4.699) 4.835 11.785 ( -7.918 -0.000 -2.497) 8.303 11.873 ( -8.876 -0.000 8.716) 12.440 12.008 ( 4.213 0.000 -1.535) 4.483 12.400 ( 0.920 0.000 2.442) 2.609 12.753 ( 3.860 0.000 -4.200) 5.705 12.826 ( -4.425 -0.000 1.096) 4.559 13.046 ( -16.461 -0.000 7.618) 18.138 13.257 ( 12.767 0.000 -4.485) 13.532 13.503 ( 4.422 0.000 1.982) 4.845 13.584 ( 6.591 0.000 -5.120) 8.346 13.833 ( 20.448 0.000 -0.278) 20.450 14.609 ( 12.688 0.000 -4.522) 13.470 14.693 ( 10.722 0.000 -1.678) 10.853 15.102 ( 2.254 0.000 6.524) 6.902 15.330 ( 3.370 0.000 -0.991) 3.513 15.355 ( 2.695 0.000 0.689) 2.782 15.509 ( -6.113 -0.000 0.443) 6.130 15.814 ( 6.324 0.000 -1.323) 6.461 15.997 ( 5.921 0.000 -2.812) 6.555 16.176 ( 6.029 0.000 -5.932) 8.458 16.271 ( 5.332 0.000 -1.670) 5.587 16.422 ( -6.761 -0.000 -1.325) 6.889 16.873 ( -8.504 -0.000 17.332) 19.305 17.103 ( 2.901 0.000 1.924) 3.481 17.117 ( 0.183 0.000 -3.938) 3.943 18.038 ( -26.357 -0.000 13.439) 29.586 18.099 ( -16.692 -0.000 -15.121) 22.522 19.176 ( 1.679 0.000 -9.374) 9.524 20.946 ( -25.299 -0.000 -27.847) 37.623 21.402 ( -4.146 -0.000 1.642) 4.460 21.410 ( 1.655 0.000 -5.321) 5.573 21.934 ( -0.499 -0.000 1.107) 1.214 22.094 ( 2.071 0.000 -3.602) 4.155 22.544 ( 29.638 0.000 22.789) 37.386 23.165 ( 10.321 0.000 8.668) 13.478 ======================= Grid point 294 (140/172) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -36.908 0.158 10.799) 38.456 1.973 ( -30.057 -6.312 19.394) 36.324 2.668 ( -14.127 6.417 -12.377) 19.848 3.352 ( -24.044 -15.338 28.737) 40.487 4.114 ( -26.886 -4.820 -13.924) 30.659 4.655 ( -1.505 -8.008 -17.394) 19.208 6.167 ( -8.843 4.798 14.787) 17.885 6.368 ( 8.363 6.856 -17.548) 20.612 6.803 ( 14.177 12.513 -3.318) 19.198 7.072 ( 6.588 10.161 7.347) 14.164 7.271 ( 0.162 2.853 6.296) 6.914 7.500 ( 2.119 -4.133 2.048) 5.076 7.559 ( 6.557 -8.311 5.861) 12.100 8.025 ( 3.198 8.805 -10.060) 13.747 8.301 ( -4.723 1.866 -8.756) 10.122 8.554 ( -6.831 -1.143 3.943) 7.970 8.761 ( 4.598 0.479 1.623) 4.900 8.870 ( 13.785 -5.364 -3.883) 15.294 8.916 ( 4.012 -2.414 -6.502) 8.012 9.141 ( -5.251 -3.794 -4.569) 7.928 10.433 ( -11.594 -1.190 -6.345) 13.270 10.601 ( -7.220 1.957 -4.614) 8.789 10.968 ( -18.017 4.590 6.844) 19.812 11.048 ( -13.462 -5.798 -9.858) 17.664 11.514 ( 3.079 -0.290 3.753) 4.864 11.661 ( -2.911 1.246 2.526) 4.050 11.836 ( -13.901 -3.043 1.807) 14.344 12.007 ( 1.790 3.070 -3.862) 5.249 12.398 ( 0.965 1.310 3.077) 3.481 12.744 ( -9.275 3.212 1.278) 9.898 12.783 ( 3.873 -0.549 0.903) 4.014 12.871 ( -11.247 0.959 5.329) 12.483 13.388 ( 14.081 2.471 -6.512) 15.709 13.514 ( 1.597 6.840 -0.934) 7.085 13.583 ( 7.398 4.340 -0.851) 8.619 14.111 ( 22.963 -2.142 -0.859) 23.079 14.682 ( -4.063 4.262 -4.075) 7.161 14.789 ( 14.430 -0.594 -4.699) 15.187 15.079 ( -0.644 4.529 7.199) 8.529 15.213 ( 2.189 13.425 1.931) 13.738 15.360 ( -7.235 -0.925 5.857) 9.355 15.538 ( 8.445 -1.237 -1.974) 8.761 15.819 ( 3.095 4.523 -1.009) 5.573 15.970 ( 5.809 3.199 -2.950) 7.258 16.230 ( -0.313 1.421 -2.999) 3.333 16.430 ( 4.061 -9.762 -6.106) 12.210 16.506 ( 1.102 -10.999 1.648) 11.176 16.782 ( -9.371 -0.828 15.888) 18.464 17.127 ( -1.672 -2.990 -3.018) 4.565 17.193 ( 3.470 -4.899 -0.646) 6.038 17.771 ( -22.118 0.556 9.026) 23.895 17.919 ( -15.453 -3.892 -11.709) 19.774 19.195 ( 5.470 -0.281 -10.052) 11.447 20.381 ( -33.898 16.714 -19.315) 42.445 21.338 ( 2.752 1.814 4.449) 5.537 21.496 ( -2.501 -6.472 -1.075) 7.021 21.952 ( -0.316 -2.104 1.063) 2.378 22.002 ( 3.880 7.182 1.795) 8.358 23.043 ( 19.732 -5.559 6.881) 21.624 23.363 ( 13.280 -9.401 6.601) 17.559 ======================= Grid point 304 (141/172) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -26.091 -0.000 19.221) 32.407 1.575 ( -29.913 -0.000 24.903) 38.923 2.545 ( -11.042 -0.000 0.892) 11.078 3.047 ( -15.041 -0.000 22.648) 27.188 3.662 ( -33.690 -0.000 -15.294) 36.999 4.585 ( 4.414 0.000 -25.690) 26.066 6.095 ( -12.807 -0.000 18.451) 22.460 6.506 ( 7.827 0.000 -17.894) 19.531 7.073 ( 7.604 0.000 5.580) 9.432 7.262 ( 9.106 0.000 -0.189) 9.108 7.310 ( 2.281 0.000 4.921) 5.424 7.462 ( -2.967 -0.000 0.485) 3.006 7.601 ( 11.018 0.000 8.724) 14.053 8.125 ( 4.698 0.000 -8.588) 9.789 8.214 ( -14.390 -0.000 -16.210) 21.676 8.469 ( -8.043 -0.000 7.094) 10.724 8.807 ( 5.065 0.000 1.333) 5.238 8.917 ( 2.841 0.000 -7.673) 8.182 9.006 ( 16.068 0.000 -6.649) 17.390 9.032 ( -5.229 -0.000 -5.899) 7.883 10.289 ( -9.284 -0.000 -4.042) 10.126 10.534 ( -5.779 -0.000 -1.724) 6.031 10.807 ( -17.625 -0.000 7.047) 18.982 10.844 ( -9.329 -0.000 -14.851) 17.538 11.550 ( 3.010 0.000 4.332) 5.275 11.626 ( -13.553 -0.000 3.629) 14.031 11.641 ( -3.828 -0.000 0.653) 3.883 12.060 ( 1.155 0.000 -5.595) 5.713 12.425 ( 0.352 0.000 4.082) 4.097 12.677 ( -10.905 -0.000 8.962) 14.115 12.773 ( 1.296 0.000 -5.900) 6.041 12.811 ( -2.938 -0.000 2.656) 3.960 13.567 ( 13.393 0.000 -7.457) 15.329 13.594 ( -4.739 -0.000 -5.107) 6.968 13.698 ( 10.314 0.000 5.114) 11.512 14.346 ( 17.418 0.000 -2.569) 17.606 14.653 ( -9.452 -0.000 -2.566) 9.794 14.869 ( 8.253 0.000 -0.321) 8.259 15.107 ( 1.985 0.000 3.597) 4.108 15.263 ( -7.642 -0.000 3.437) 8.379 15.476 ( 3.099 0.000 -2.604) 4.047 15.623 ( 13.969 0.000 0.677) 13.985 15.854 ( 1.593 0.000 -2.921) 3.327 16.104 ( 2.597 0.000 -3.999) 4.768 16.215 ( -8.702 -0.000 -1.344) 8.805 16.322 ( -1.757 -0.000 -2.851) 3.349 16.472 ( 16.629 0.000 0.945) 16.656 16.663 ( -11.954 -0.000 19.077) 22.512 17.074 ( -2.274 -0.000 -3.860) 4.480 17.197 ( 5.891 0.000 -0.074) 5.892 17.577 ( -16.540 -0.000 9.014) 18.837 17.665 ( -16.292 -0.000 -15.045) 22.176 19.240 ( 6.667 0.000 -9.369) 11.499 20.035 ( -43.509 -0.000 -18.555) 47.300 21.353 ( -2.594 -0.000 4.962) 5.599 21.443 ( 2.639 0.000 -4.702) 5.392 21.934 ( 0.013 0.000 2.176) 2.176 22.118 ( 1.128 0.000 -4.270) 4.417 23.314 ( 29.804 0.000 11.042) 31.784 23.386 ( 5.935 0.000 8.883) 10.684 ======================= Grid point 305 (142/172) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 11.913 0.000 -21.762) 24.809 1.813 ( -11.913 -0.000 21.762) 24.809 2.400 ( -25.163 -0.000 -20.582) 32.508 2.400 ( 25.163 0.000 20.582) 32.508 3.819 ( 7.746 0.000 -43.704) 44.385 3.819 ( -7.746 -0.000 43.704) 44.385 6.267 ( 10.007 0.000 -17.028) 19.751 6.267 ( -10.007 -0.000 17.028) 19.751 7.360 ( 7.882 0.000 -9.070) 12.016 7.360 ( -7.882 -0.000 9.070) 12.016 7.532 ( -9.366 -0.000 -3.509) 10.002 7.532 ( 9.366 0.000 3.509) 10.002 7.563 ( -2.403 -0.000 -7.867) 8.226 7.563 ( 2.403 0.000 7.867) 8.226 8.340 ( -17.484 -0.000 1.472) 17.546 8.340 ( 17.484 0.000 -1.472) 17.546 8.799 ( 1.510 0.000 -1.458) 2.099 8.799 ( -1.510 -0.000 1.458) 2.099 9.030 ( 0.068 0.000 -7.286) 7.286 9.030 ( -0.068 -0.000 7.286) 7.286 10.314 ( -6.278 -0.000 -8.752) 10.771 10.314 ( 6.278 0.000 8.752) 10.771 10.585 ( -11.049 -0.000 1.970) 11.224 10.585 ( 11.049 0.000 -1.970) 11.224 11.501 ( 3.157 0.000 -4.245) 5.290 11.501 ( -3.157 -0.000 4.245) 5.290 11.879 ( -2.816 -0.000 -8.183) 8.654 11.879 ( 2.816 0.000 8.183) 8.654 12.587 ( -2.519 -0.000 -5.664) 6.198 12.587 ( 2.519 0.000 5.664) 6.198 12.714 ( 6.237 0.000 -4.402) 7.634 12.714 ( -6.237 -0.000 4.402) 7.634 13.558 ( 8.780 0.000 -11.855) 14.752 13.558 ( -8.780 -0.000 11.855) 14.752 14.091 ( -13.377 -0.000 -3.604) 13.854 14.091 ( 13.377 0.000 3.604) 13.854 14.888 ( -17.399 -0.000 5.284) 18.184 14.888 ( 17.399 0.000 -5.284) 18.184 15.202 ( 3.415 0.000 -3.500) 4.890 15.202 ( -3.415 -0.000 3.500) 4.890 15.568 ( -8.277 -0.000 -0.425) 8.288 15.568 ( 8.277 0.000 0.425) 8.288 16.016 ( -4.949 -0.000 -0.463) 4.971 16.016 ( 4.949 0.000 0.463) 4.971 16.148 ( -5.342 -0.000 -1.956) 5.689 16.148 ( 5.342 0.000 1.956) 5.689 16.859 ( -10.051 -0.000 -2.382) 10.330 16.859 ( 10.051 0.000 2.382) 10.330 16.968 ( 0.057 0.000 -16.925) 16.925 16.968 ( -0.057 -0.000 16.925) 16.925 17.420 ( -9.391 -0.000 3.021) 9.865 17.420 ( 9.391 0.000 -3.021) 9.865 19.287 ( 18.758 0.000 -7.552) 20.221 19.287 ( -18.758 -0.000 7.552) 20.221 21.401 ( 3.536 0.000 -4.722) 5.899 21.401 ( -3.536 -0.000 4.722) 5.899 22.020 ( -0.225 -0.000 -4.019) 4.026 22.020 ( 0.225 0.000 4.019) 4.026 23.651 ( 4.514 0.000 -8.284) 9.434 23.651 ( -4.514 -0.000 8.284) 9.434 ======================= Grid point 307 (143/172) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -4.655 -5.809 9.915) 12.398 1.992 ( 16.533 -4.886 -23.697) 29.304 2.260 ( -6.953 -8.264 -17.429) 20.504 2.897 ( 35.337 -10.933 20.782) 42.428 3.896 ( -3.651 -8.526 41.088) 42.122 3.931 ( 10.335 -8.712 -39.164) 41.431 6.137 ( -9.490 5.376 16.511) 19.788 6.312 ( 10.636 5.867 -14.686) 19.058 7.045 ( -15.076 16.550 8.588) 23.978 7.322 ( 5.676 8.178 -3.914) 10.697 7.349 ( -7.750 6.083 -5.951) 11.510 7.478 ( -2.757 0.434 1.168) 3.026 7.693 ( 6.857 0.857 3.006) 7.536 7.768 ( 12.094 -3.169 8.215) 14.960 8.168 ( -15.859 -4.356 -3.681) 16.854 8.515 ( 12.091 0.220 -3.012) 12.462 8.794 ( -1.152 -0.924 1.717) 2.265 8.809 ( 0.409 -0.942 4.257) 4.379 9.002 ( -6.765 -2.461 -0.865) 7.250 9.119 ( 2.537 -6.635 -4.054) 8.179 10.284 ( -2.838 -3.431 -4.621) 6.417 10.437 ( 2.753 -2.941 10.335) 11.093 10.550 ( 4.203 -3.423 -0.858) 5.488 10.747 ( 15.658 -0.077 -4.688) 16.345 11.493 ( 0.821 0.538 4.172) 4.286 11.553 ( 7.714 0.708 -2.012) 8.003 11.842 ( -3.015 -2.057 -7.396) 8.248 11.904 ( 0.587 0.896 5.845) 5.943 12.523 ( -1.866 3.882 -3.478) 5.537 12.562 ( 1.656 4.083 3.928) 5.903 12.729 ( -1.334 -4.112 8.783) 9.789 12.791 ( 6.491 -0.395 -6.344) 9.085 13.412 ( -11.019 5.142 14.074) 18.599 13.555 ( 4.455 7.056 -10.405) 13.338 13.899 ( -12.019 3.556 -1.872) 12.673 14.199 ( 10.381 3.496 4.633) 11.893 14.682 ( -17.834 0.677 2.637) 18.040 15.030 ( -1.875 -3.560 -3.446) 5.297 15.108 ( 1.061 7.325 -0.932) 7.460 15.281 ( 7.172 -3.106 -1.536) 7.965 15.440 ( -7.300 5.353 -3.387) 9.666 15.656 ( 7.240 1.404 1.580) 7.542 15.820 ( -11.715 6.014 2.163) 13.345 15.993 ( 2.676 4.376 1.443) 5.329 16.163 ( -3.363 -4.865 0.314) 5.922 16.287 ( 4.983 -5.346 2.553) 7.741 16.765 ( -13.417 -5.262 -1.697) 14.511 16.952 ( 2.788 -0.627 0.068) 2.858 17.013 ( 6.079 -3.898 -10.945) 13.113 17.087 ( 5.487 -6.875 12.143) 14.995 17.395 ( 0.792 -2.148 0.624) 2.373 17.586 ( 17.143 -1.809 -6.927) 18.577 19.135 ( -13.045 -1.767 10.614) 16.910 19.518 ( 21.869 0.397 -3.007) 22.079 21.402 ( -3.957 -3.590 3.995) 6.671 21.481 ( 3.861 -5.125 -4.318) 7.734 22.014 ( -0.334 -0.515 -3.221) 3.279 22.022 ( -0.530 0.473 2.617) 2.712 23.528 ( -10.630 4.211 -0.118) 11.434 23.636 ( -0.919 2.164 -2.949) 3.772 ======================= Grid point 308 (144/172) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 2.661 -11.720 5.171) 13.084 2.207 ( 8.126 -8.374 -17.646) 21.155 2.475 ( 14.270 -12.537 -25.036) 31.426 3.520 ( 23.916 -13.154 17.955) 32.671 4.173 ( 7.968 -13.649 9.952) 18.676 4.238 ( 14.691 -15.848 -3.694) 21.924 5.917 ( -9.231 10.046 13.361) 19.095 6.218 ( 1.256 12.860 -4.446) 13.665 6.593 ( -11.642 15.933 5.982) 20.620 7.043 ( -11.403 12.485 -1.078) 16.943 7.303 ( 13.748 7.748 -10.641) 19.034 7.485 ( 4.177 0.084 1.373) 4.398 7.644 ( -0.773 7.518 1.029) 7.627 7.939 ( 3.655 -5.177 11.274) 12.933 8.173 ( -3.453 -9.190 -8.345) 12.885 8.591 ( 3.315 0.056 -1.373) 3.589 8.803 ( -1.699 -1.109 3.774) 4.285 8.830 ( 0.536 0.971 0.032) 1.109 9.008 ( -5.882 -6.528 2.155) 9.048 9.249 ( 1.329 -6.238 -6.921) 9.412 10.343 ( 1.094 -4.791 -0.456) 4.935 10.482 ( 0.968 -1.461 1.159) 2.101 10.795 ( 13.804 -8.204 6.812) 17.443 10.895 ( 13.647 1.585 -6.027) 15.003 11.494 ( 1.598 2.074 3.500) 4.371 11.601 ( 3.944 4.182 1.464) 5.932 11.881 ( -0.406 -5.689 -6.607) 8.728 11.907 ( 2.929 -0.055 1.422) 3.256 12.411 ( -1.542 5.779 0.611) 6.012 12.541 ( 5.194 3.912 1.996) 6.802 12.779 ( -3.199 -1.191 11.043) 11.559 12.859 ( 6.314 -0.794 -3.646) 7.335 13.231 ( -6.411 3.940 9.455) 12.084 13.407 ( 1.142 10.315 -9.681) 14.193 13.699 ( -10.824 4.337 -1.500) 11.757 14.232 ( -3.453 -0.376 7.042) 7.852 14.491 ( -5.778 4.286 -0.302) 7.201 14.852 ( -15.126 4.851 2.573) 16.092 15.054 ( -0.214 8.623 -5.100) 10.021 15.231 ( -6.124 4.481 -3.382) 8.308 15.434 ( 12.111 -0.408 -7.848) 14.437 15.621 ( -10.316 1.104 0.783) 10.404 15.672 ( 3.044 4.204 2.824) 5.909 15.975 ( -0.361 -0.721 4.234) 4.310 16.203 ( -4.618 -4.186 2.722) 6.801 16.440 ( 3.943 -5.385 1.873) 6.932 16.747 ( -7.878 -7.401 0.197) 10.811 16.996 ( 3.379 -0.924 -4.612) 5.792 17.143 ( 3.486 -4.880 -3.497) 6.942 17.280 ( -0.207 -7.850 1.731) 8.041 17.514 ( 11.221 -3.810 7.274) 13.905 17.841 ( 21.391 -3.242 -9.113) 23.476 19.063 ( -10.407 -2.653 11.504) 15.738 19.726 ( 19.254 3.533 -0.503) 19.582 21.423 ( -4.785 -3.423 1.179) 6.000 21.642 ( 4.387 -7.953 -3.285) 9.658 21.997 ( -1.899 0.610 -0.725) 2.122 22.023 ( -0.274 -1.282 -2.058) 2.440 23.318 ( -11.009 3.535 -4.827) 12.530 23.555 ( -4.132 3.609 3.177) 6.340 ======================= Grid point 309 (145/172) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 8.004 -17.466 1.523) 19.272 2.466 ( 8.717 -12.998 -17.882) 23.764 2.828 ( 16.972 -10.729 -25.597) 32.533 3.907 ( 5.500 -9.894 19.962) 22.948 4.434 ( 2.898 -4.401 -4.853) 7.164 4.803 ( 23.878 -17.380 15.027) 33.137 5.660 ( -5.457 8.856 5.261) 11.657 5.902 ( -10.699 13.155 9.824) 19.597 6.285 ( -4.213 11.814 4.082) 13.190 6.696 ( -6.421 13.151 -8.394) 16.871 7.321 ( 15.895 8.913 -9.628) 20.611 7.429 ( -5.800 5.488 1.634) 8.151 7.631 ( 6.907 -3.334 -0.111) 7.670 8.103 ( 2.389 -8.039 7.453) 11.220 8.305 ( 2.001 -7.099 -6.573) 9.880 8.609 ( 0.121 -0.287 0.130) 0.338 8.757 ( -6.354 -0.051 -1.215) 6.470 8.851 ( 2.481 -0.517 2.328) 3.441 9.019 ( -7.906 -2.043 0.861) 8.211 9.353 ( 2.627 -4.510 -5.423) 7.527 10.463 ( 4.953 -4.459 1.033) 6.744 10.547 ( 3.397 -3.521 -0.597) 4.929 10.983 ( 7.635 0.879 -5.884) 9.680 11.119 ( 14.818 -7.346 8.677) 18.677 11.445 ( -0.530 7.682 6.103) 9.826 11.507 ( -3.132 2.845 -0.800) 4.306 11.899 ( -2.536 -0.289 -5.310) 5.892 12.029 ( 3.482 -4.886 -4.156) 7.299 12.285 ( 4.906 11.014 4.010) 12.707 12.548 ( 2.562 1.305 2.310) 3.688 12.746 ( -2.764 -0.451 11.648) 11.980 12.965 ( 4.007 -3.649 3.663) 6.541 13.206 ( 4.638 -0.833 -1.213) 4.866 13.231 ( -0.041 8.118 -7.652) 11.156 13.493 ( -9.080 5.088 -3.538) 10.993 14.124 ( -19.147 -2.503 8.182) 20.972 14.391 ( 3.851 9.994 -2.136) 10.921 14.644 ( -10.166 -0.395 3.363) 10.715 14.800 ( -5.899 10.939 -8.027) 14.796 15.107 ( -3.957 5.859 0.529) 7.090 15.492 ( -2.258 -0.170 -3.745) 4.377 15.522 ( 4.688 5.542 -3.517) 8.066 15.682 ( 2.555 -1.584 -0.922) 3.144 16.004 ( -3.791 -3.296 3.506) 6.126 16.233 ( -4.253 -5.474 7.813) 10.445 16.544 ( 1.042 -2.720 1.100) 3.113 16.837 ( 0.814 -6.688 -0.762) 6.780 17.036 ( 2.165 -0.694 -5.791) 6.222 17.238 ( 0.256 -3.726 1.085) 3.889 17.342 ( -2.242 -2.367 -4.041) 5.192 17.791 ( 13.366 -8.029 10.281) 18.677 18.145 ( 23.182 -3.427 -10.294) 25.595 19.001 ( -12.132 -2.406 11.897) 17.162 19.817 ( 12.182 6.769 -0.953) 13.969 21.408 ( -4.810 -1.624 -2.370) 5.603 21.822 ( 3.749 -7.077 -1.669) 8.181 21.976 ( -1.530 -1.236 -1.854) 2.703 22.043 ( -0.217 -1.562 -1.116) 1.932 23.169 ( -6.494 0.669 -7.131) 9.668 23.434 ( -5.645 4.582 7.937) 10.764 ======================= Grid point 310 (146/172) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 8.843 -20.235 -3.238) 22.319 2.745 ( 7.925 -9.255 -12.319) 17.327 3.130 ( 12.680 -7.490 -18.329) 23.512 4.092 ( 0.475 -3.924 16.080) 16.559 4.288 ( -10.280 12.611 5.413) 17.147 5.300 ( 14.404 -9.590 7.724) 18.950 5.526 ( -7.089 2.447 2.279) 7.838 5.696 ( 1.900 3.284 2.568) 4.582 6.077 ( -4.588 6.413 12.244) 14.563 6.448 ( -0.362 8.158 -14.000) 16.207 7.238 ( 2.166 8.208 -1.469) 8.616 7.382 ( 2.476 -0.027 -3.825) 4.557 7.783 ( 7.114 -3.206 0.987) 7.865 8.276 ( 4.950 -4.475 6.788) 9.519 8.438 ( 1.860 -7.240 -7.147) 10.342 8.598 ( -0.976 1.306 -1.565) 2.260 8.682 ( -7.422 -0.727 2.251) 7.790 8.889 ( 4.100 2.162 -5.902) 7.504 8.922 ( -8.848 -0.448 5.106) 10.225 9.434 ( 1.588 -2.266 -2.221) 3.548 10.594 ( 7.089 -2.096 -1.253) 7.498 10.690 ( 3.945 -7.669 1.119) 8.696 11.007 ( 0.907 1.303 -4.547) 4.816 11.243 ( -4.967 9.140 5.261) 11.657 11.397 ( 7.821 -4.150 5.068) 10.202 11.480 ( 4.759 0.009 1.886) 5.119 11.821 ( -5.928 2.294 -6.317) 8.962 12.039 ( -4.522 0.898 -2.599) 5.292 12.208 ( 6.941 6.531 3.914) 10.303 12.529 ( -3.195 0.500 3.863) 5.038 12.855 ( 6.977 -5.609 6.394) 11.001 13.046 ( -0.765 -1.962 6.104) 6.457 13.112 ( 2.086 4.783 -6.694) 8.487 13.319 ( 2.520 -2.154 -2.940) 4.431 13.333 ( 1.283 3.400 -5.217) 6.358 13.966 ( -15.040 -1.509 6.792) 16.571 14.217 ( -3.087 6.897 -1.567) 7.718 14.534 ( -5.598 5.984 -7.303) 10.977 14.665 ( -0.291 -1.841 2.817) 3.378 14.937 ( -4.144 7.145 0.997) 8.320 15.443 ( -2.681 0.369 -0.342) 2.728 15.508 ( 3.167 1.851 -2.672) 4.539 15.732 ( 3.783 0.291 -2.481) 4.533 15.992 ( -4.703 -1.258 0.759) 4.927 16.341 ( -2.024 -8.589 9.220) 12.762 16.564 ( 0.692 1.636 -1.084) 2.081 16.963 ( 4.839 -3.564 -3.361) 6.886 17.048 ( -1.146 -0.936 -2.565) 2.962 17.266 ( -1.699 0.134 1.964) 2.600 17.346 ( -0.812 -1.673 -2.242) 2.913 18.074 ( 8.852 -6.651 6.587) 12.884 18.440 ( 22.049 -2.015 -11.032) 24.737 18.897 ( -15.495 -1.514 11.891) 19.590 19.784 ( 4.417 6.408 -1.822) 7.993 21.379 ( -2.694 -0.875 -2.533) 3.800 21.948 ( 0.930 -4.236 -1.140) 4.484 21.996 ( 0.634 -1.190 0.203) 1.363 22.065 ( -0.055 -1.180 -0.790) 1.421 23.119 ( -1.489 -1.562 -9.538) 9.779 23.305 ( -5.051 4.396 10.399) 12.368 ======================= Grid point 311 (147/172) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 0.000 0.000 -0.000) 0.000 3.014 ( -0.000 -0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 4.016 ( -0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 5.413 ( -0.000 0.000 0.000) 0.000 5.506 ( -0.000 -0.000 -0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 6.018 ( -0.000 0.000 0.000) 0.000 6.363 ( -0.000 0.000 -0.000) 0.000 7.173 ( 0.000 0.000 0.000) 0.000 7.396 ( -0.000 0.000 0.000) 0.000 7.862 ( -0.000 0.000 0.000) 0.000 8.359 ( -0.000 0.000 0.000) 0.000 8.548 ( -0.000 -0.000 -0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.627 ( -0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 -0.000) 0.000 8.924 ( -0.000 0.000 0.000) 0.000 9.460 ( -0.000 0.000 0.000) 0.000 10.664 ( -0.000 0.000 0.000) 0.000 10.839 ( -0.000 0.000 0.000) 0.000 10.958 ( -0.000 0.000 0.000) 0.000 11.105 ( -0.000 0.000 0.000) 0.000 11.431 ( 0.000 0.000 0.000) 0.000 11.629 ( 0.000 0.000 0.000) 0.000 11.695 ( -0.000 0.000 -0.000) 0.000 11.993 ( -0.000 0.000 0.000) 0.000 12.194 ( -0.000 0.000 -0.000) 0.000 12.503 ( -0.000 0.000 0.000) 0.000 12.977 ( -0.000 0.000 -0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.107 ( -0.000 0.000 0.000) 0.000 13.250 ( -0.000 0.000 0.000) 0.000 13.401 ( -0.000 0.000 0.000) 0.000 13.889 ( -0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.431 ( -0.000 0.000 0.000) 0.000 14.702 ( -0.000 -0.000 0.000) 0.000 14.829 ( 0.000 0.000 0.000) 0.000 15.425 ( -0.000 0.000 0.000) 0.000 15.509 ( -0.000 0.000 0.000) 0.000 15.749 ( -0.000 0.000 0.000) 0.000 15.972 ( -0.000 0.000 0.000) 0.000 16.452 ( -0.000 0.000 0.000) 0.000 16.520 ( 0.000 0.000 -0.000) 0.000 17.026 ( -0.000 0.000 0.000) 0.000 17.047 ( 0.000 0.000 -0.000) 0.000 17.244 ( -0.000 0.000 0.000) 0.000 17.359 ( -0.000 0.000 0.000) 0.000 18.197 ( -0.000 0.000 0.000) 0.000 18.630 ( -0.000 0.000 0.000) 0.000 18.777 ( 0.000 0.000 -0.000) 0.000 19.742 ( -0.000 0.000 0.000) 0.000 21.370 ( -0.000 0.000 0.000) 0.000 21.990 ( -0.000 0.000 -0.000) 0.000 22.010 ( -0.000 0.000 0.000) 0.000 22.076 ( -0.000 0.000 0.000) 0.000 23.131 ( -0.000 0.000 0.000) 0.000 23.231 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 318 (148/172) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 7.892 0.000 -5.942) 9.879 2.157 ( 24.648 0.000 -26.940) 36.514 2.247 ( 14.233 0.000 0.077) 14.234 3.261 ( 35.857 0.000 20.540) 41.323 3.866 ( 2.525 0.000 39.598) 39.679 3.915 ( 12.517 0.000 -40.113) 42.021 6.091 ( -11.665 -0.000 18.248) 21.658 6.478 ( 12.221 0.000 -16.075) 20.193 7.120 ( -16.917 -0.000 -0.924) 16.943 7.174 ( -9.877 -0.000 8.928) 13.314 7.443 ( 0.524 0.000 2.373) 2.430 7.444 ( 0.539 0.000 -1.071) 1.199 7.832 ( 1.538 0.000 -9.773) 9.893 7.878 ( 11.784 0.000 10.944) 16.082 7.936 ( -11.036 -0.000 5.628) 12.388 8.648 ( 8.711 0.000 -8.849) 12.417 8.749 ( -2.161 -0.000 2.976) 3.678 8.788 ( -4.329 -0.000 10.668) 11.512 8.976 ( -2.181 -0.000 -9.866) 10.104 9.020 ( 0.909 0.000 -1.568) 1.812 10.250 ( 2.674 0.000 -0.830) 2.799 10.447 ( 2.248 0.000 7.534) 7.862 10.637 ( 14.426 0.000 2.288) 14.606 10.959 ( 20.756 0.000 -7.191) 21.966 11.532 ( 3.570 0.000 3.971) 5.340 11.673 ( 11.803 0.000 -0.451) 11.811 11.757 ( -4.772 -0.000 -7.660) 9.025 11.934 ( 0.246 0.000 5.983) 5.988 12.523 ( -3.234 -0.000 -4.411) 5.470 12.641 ( -0.127 -0.000 6.113) 6.114 12.681 ( 2.903 0.000 7.639) 8.172 12.885 ( 10.531 0.000 -5.119) 11.710 13.334 ( -13.109 -0.000 13.900) 19.107 13.639 ( 0.902 0.000 -6.134) 6.200 13.797 ( -11.078 -0.000 -3.607) 11.650 14.223 ( -14.494 -0.000 8.704) 16.907 14.624 ( 5.045 0.000 -0.429) 5.063 14.867 ( -14.140 -0.000 0.004) 14.140 15.188 ( -2.857 -0.000 -3.733) 4.701 15.333 ( 10.738 0.000 -0.597) 10.755 15.449 ( -2.163 -0.000 -2.057) 2.985 15.644 ( -13.436 -0.000 -1.185) 13.489 15.783 ( -1.543 -0.000 3.441) 3.771 15.999 ( -4.275 -0.000 5.307) 6.815 16.192 ( 7.138 0.000 0.940) 7.200 16.265 ( 1.632 0.000 2.380) 2.886 16.522 ( -16.072 -0.000 -3.740) 16.501 16.980 ( 1.874 0.000 3.494) 3.965 17.078 ( 12.024 0.000 -17.780) 21.463 17.095 ( 3.533 0.000 9.353) 9.999 17.433 ( 8.846 0.000 5.501) 10.417 17.782 ( 21.315 0.000 -9.915) 23.508 19.024 ( -6.643 -0.000 10.264) 12.226 19.811 ( 25.903 0.000 5.447) 26.469 21.339 ( -3.083 -0.000 4.798) 5.703 21.461 ( 2.849 0.000 -4.786) 5.570 21.997 ( -0.638 -0.000 -3.581) 3.637 22.031 ( -0.442 -0.000 3.677) 3.703 23.405 ( -17.964 -0.000 0.663) 17.976 23.591 ( -5.973 -0.000 -9.724) 11.412 ======================= Grid point 319 (149/172) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 17.469 -3.008 -4.935) 18.400 2.366 ( 24.858 4.318 -10.598) 27.366 2.543 ( 27.034 -4.977 -16.599) 32.112 3.639 ( 13.333 -3.997 26.452) 29.891 4.088 ( 13.959 -8.794 -23.577) 28.775 4.199 ( 25.699 -13.399 16.594) 33.397 5.937 ( -13.173 4.166 17.268) 22.115 6.462 ( 2.499 12.680 -6.696) 14.556 6.767 ( -8.492 14.661 -0.488) 16.950 7.064 ( -11.596 3.412 5.174) 13.148 7.432 ( -2.227 1.994 -3.541) 4.634 7.517 ( 6.805 -2.772 -1.709) 7.543 7.702 ( -11.734 -4.744 -3.458) 13.120 7.852 ( 0.568 7.725 4.769) 9.096 8.098 ( 8.229 -6.527 5.275) 11.753 8.638 ( 1.077 2.788 -3.428) 4.548 8.729 ( -7.979 -1.786 6.733) 10.592 8.846 ( -1.207 -6.651 -1.746) 6.981 8.895 ( 1.364 3.044 -5.558) 6.482 9.136 ( 3.802 -6.541 -4.427) 8.766 10.323 ( 6.086 -1.920 3.142) 7.114 10.507 ( 4.434 -0.776 3.969) 6.001 10.865 ( 16.925 -4.163 4.710) 18.054 11.146 ( 20.008 4.693 -7.879) 22.009 11.555 ( 2.426 2.333 0.804) 3.460 11.704 ( -1.931 0.691 -1.470) 2.523 11.830 ( 7.882 0.035 1.596) 8.042 11.947 ( 4.891 -1.684 1.126) 5.294 12.442 ( -4.416 2.418 -0.011) 5.034 12.667 ( 5.631 0.683 3.189) 6.508 12.737 ( -1.031 -1.182 8.117) 8.267 12.974 ( 9.415 3.915 -2.106) 10.412 13.202 ( -7.846 0.665 8.516) 11.598 13.549 ( -2.475 7.240 -5.475) 9.408 13.643 ( -9.910 2.959 -2.565) 10.656 14.030 ( -20.639 -1.864 6.252) 21.646 14.624 ( 2.137 4.694 1.009) 5.256 14.719 ( -12.969 1.789 1.308) 13.157 15.164 ( -0.943 1.170 -1.581) 2.181 15.277 ( -3.711 8.735 -3.247) 10.031 15.477 ( -8.672 -0.471 -1.092) 8.753 15.500 ( 3.880 -3.993 -1.683) 5.817 15.772 ( 0.062 2.338 3.078) 3.865 15.926 ( -7.142 1.985 2.126) 7.711 16.166 ( -0.096 3.674 2.770) 4.602 16.348 ( -3.569 -6.358 0.895) 7.346 16.515 ( -2.016 -11.446 -0.423) 11.630 17.016 ( 1.821 -1.275 2.561) 3.391 17.130 ( 1.798 -0.761 -4.649) 5.042 17.212 ( 6.760 -3.250 -7.800) 10.821 17.606 ( 13.712 -2.619 11.068) 17.815 18.044 ( 24.314 -2.014 -10.943) 26.739 18.986 ( -2.989 0.892 8.455) 9.012 20.072 ( 23.603 5.708 10.338) 26.393 21.334 ( -2.880 -2.066 3.351) 4.878 21.543 ( 2.638 -6.464 -4.287) 8.193 21.991 ( -0.822 -0.520 -2.383) 2.573 22.006 ( -1.286 1.888 0.531) 2.345 23.171 ( -19.030 -0.415 -3.509) 19.355 23.495 ( -9.005 -0.393 -6.147) 10.910 ======================= Grid point 320 (150/172) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 20.424 -6.095 -1.105) 21.343 2.596 ( 29.452 2.292 -12.826) 32.205 2.901 ( 25.251 -4.312 -20.756) 32.970 3.865 ( 4.266 -6.646 27.857) 28.955 4.376 ( 10.291 -8.469 -15.310) 20.299 4.816 ( 26.748 -15.563 10.628) 32.720 5.722 ( -11.268 6.432 13.156) 18.477 6.107 ( -6.523 19.401 6.604) 21.508 6.466 ( -4.133 13.457 1.690) 14.178 6.834 ( -5.821 10.710 -5.779) 13.490 7.300 ( -14.938 0.305 0.129) 14.942 7.612 ( -1.532 5.576 -6.856) 8.969 7.678 ( 9.462 -3.544 -3.575) 10.717 7.877 ( 2.947 -8.679 1.495) 9.287 8.295 ( 6.449 -5.584 4.159) 9.490 8.599 ( -4.324 0.165 -0.695) 4.382 8.659 ( -7.261 -0.470 1.595) 7.449 8.886 ( 2.550 0.701 -1.457) 3.019 8.910 ( -2.400 -3.208 -3.154) 5.099 9.289 ( 4.342 -5.877 -4.386) 8.522 10.459 ( 7.778 -3.662 5.146) 10.020 10.581 ( 5.726 -0.668 1.912) 6.074 11.127 ( 12.904 -0.898 1.310) 13.001 11.260 ( 19.903 3.568 -3.198) 20.472 11.531 ( 0.668 1.944 -0.973) 2.274 11.605 ( -2.698 7.692 3.374) 8.822 11.837 ( -0.791 0.711 -1.478) 1.821 12.087 ( 7.806 1.873 -0.792) 8.067 12.402 ( -0.210 -2.964 3.088) 4.285 12.665 ( -3.282 8.449 7.568) 11.808 12.734 ( 5.021 -0.373 1.650) 5.298 12.967 ( 0.385 0.200 6.944) 6.957 13.227 ( 5.053 -1.513 -2.154) 5.697 13.375 ( -0.377 7.923 -4.712) 9.226 13.464 ( -8.358 3.808 -2.449) 9.505 13.866 ( -16.338 -3.303 4.246) 17.201 14.456 ( -18.281 4.279 2.951) 19.006 14.597 ( 1.243 3.070 -0.388) 3.335 14.940 ( -5.438 12.129 -5.866) 14.529 15.205 ( 2.018 6.127 -0.115) 6.452 15.400 ( -5.575 -2.368 0.758) 6.105 15.640 ( -1.187 -3.348 -0.015) 3.552 15.683 ( 3.733 5.183 -6.125) 8.849 15.856 ( -7.701 -5.161 4.119) 10.144 16.129 ( -3.702 -1.323 5.090) 6.431 16.439 ( -2.499 -7.513 2.182) 8.212 16.722 ( 2.707 -10.002 0.386) 10.368 17.059 ( 2.436 -0.137 -3.251) 4.065 17.161 ( -1.898 -3.891 0.012) 4.329 17.293 ( 1.681 -1.698 -6.836) 7.241 17.852 ( 14.167 -4.428 11.986) 19.078 18.363 ( 26.400 -2.607 -11.987) 29.111 18.922 ( -4.832 3.291 8.175) 10.050 20.155 ( 15.199 12.491 8.473) 21.421 21.340 ( -1.939 -1.573 -0.363) 2.524 21.711 ( 2.431 -9.048 -2.582) 9.718 21.942 ( -2.097 0.611 -2.798) 3.550 22.010 ( -0.186 -1.646 -1.266) 2.085 23.021 ( -13.213 -4.328 -3.370) 14.307 23.379 ( -10.719 -0.114 -0.884) 10.756 ======================= Grid point 321 (151/172) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 20.228 -10.119 -1.931) 22.700 2.900 ( 30.457 1.425 -12.289) 32.874 3.191 ( 18.714 -2.768 -15.886) 24.704 4.060 ( 3.133 -5.449 23.268) 24.102 4.434 ( -0.568 8.556 -2.770) 9.011 5.290 ( 12.477 -9.906 3.709) 16.358 5.530 ( -5.825 5.189 6.407) 10.095 5.816 ( -0.151 8.911 3.705) 9.651 6.212 ( -2.210 11.237 11.738) 16.399 6.575 ( -3.109 10.639 -12.372) 16.611 7.099 ( -20.353 -1.690 2.883) 20.626 7.511 ( -1.224 2.873 -6.632) 7.331 7.836 ( 9.354 -1.842 -7.042) 11.852 8.115 ( 5.488 -10.596 3.006) 12.306 8.445 ( 0.693 -2.232 2.036) 3.099 8.508 ( -7.071 -3.125 -2.238) 8.048 8.633 ( -1.009 -0.944 3.949) 4.183 8.874 ( -1.064 1.853 -1.777) 2.779 8.929 ( 1.507 -0.563 -2.363) 2.859 9.405 ( 2.250 -3.380 -2.818) 4.943 10.644 ( 8.171 -5.526 4.328) 10.772 10.675 ( 7.868 -1.135 1.725) 8.134 11.141 ( 7.869 8.682 -6.542) 13.420 11.367 ( -1.735 10.618 0.157) 10.760 11.504 ( 8.833 0.927 6.591) 11.060 11.556 ( 9.742 -0.872 0.441) 9.791 11.777 ( -4.736 2.321 -3.660) 6.420 12.026 ( -2.451 5.070 -0.958) 5.712 12.452 ( -7.705 -0.210 3.877) 8.628 12.490 ( 6.522 10.064 7.959) 14.393 12.830 ( 5.094 -4.382 -1.618) 6.912 13.005 ( -2.383 -3.031 8.272) 9.127 13.183 ( -4.028 1.921 -5.655) 7.204 13.322 ( 0.980 4.654 1.456) 4.974 13.388 ( 2.051 -0.256 -1.815) 2.751 13.816 ( -1.696 -3.726 -0.970) 4.207 14.196 ( -14.154 3.148 1.504) 14.578 14.522 ( -6.276 2.634 -4.106) 7.949 14.733 ( 1.242 6.438 -1.684) 6.770 15.060 ( -1.154 9.213 1.010) 9.339 15.405 ( -1.642 -1.464 1.032) 2.430 15.554 ( -2.688 2.444 0.850) 3.731 15.691 ( -6.435 -2.413 -2.507) 7.315 15.945 ( 4.985 -3.514 -4.745) 7.728 16.165 ( -4.326 -7.917 8.518) 12.407 16.533 ( -0.518 -4.158 1.299) 4.387 16.905 ( 0.594 -8.182 0.481) 8.218 17.061 ( 2.249 1.365 -6.538) 7.047 17.215 ( -2.370 -3.765 2.732) 5.221 17.305 ( -0.764 -0.963 -2.875) 3.127 18.093 ( 10.061 -4.077 8.549) 13.818 18.665 ( 21.094 0.446 -12.084) 24.315 18.797 ( -4.892 3.281 8.492) 10.335 20.032 ( 5.183 14.742 3.036) 15.919 21.356 ( 1.430 -0.916 -0.859) 1.903 21.865 ( 0.623 -6.021 -0.761) 6.101 21.953 ( -0.064 -3.628 -2.430) 4.367 22.040 ( 0.203 -1.665 0.535) 1.760 22.991 ( -7.115 -6.120 -6.752) 11.562 23.260 ( -10.676 -0.370 4.676) 11.661 ======================= Grid point 322 (152/172) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 14.633 -3.610 2.236) 15.237 3.162 ( 25.726 5.020 -10.492) 28.233 3.333 ( 6.194 3.200 1.593) 7.151 4.113 ( -2.498 8.709 0.274) 9.064 4.242 ( 8.190 4.958 9.617) 13.570 5.443 ( -3.510 -1.665 -1.208) 4.069 5.459 ( 2.898 0.828 -0.898) 3.145 5.729 ( -1.123 3.020 -0.505) 3.261 6.095 ( 3.678 6.028 4.839) 8.560 6.372 ( -5.440 4.526 -1.530) 7.240 6.945 ( -18.580 -6.373 2.841) 19.847 7.441 ( -4.289 0.865 -3.183) 5.411 7.896 ( 2.677 2.570 -7.411) 8.288 8.253 ( -8.226 -2.356 0.616) 8.579 8.428 ( 0.413 -6.596 -0.912) 6.672 8.599 ( 1.269 -2.391 1.519) 3.104 8.706 ( 7.072 -3.927 7.866) 11.283 8.804 ( -0.090 4.813 -1.085) 4.934 8.948 ( 1.099 -0.606 -4.253) 4.435 9.452 ( -0.034 -1.205 -0.777) 1.435 10.734 ( 2.698 2.184 1.818) 3.919 10.875 ( 13.262 -3.443 2.656) 13.957 11.049 ( 3.225 7.931 -4.300) 9.581 11.149 ( -1.026 8.037 -1.648) 8.268 11.496 ( 0.647 3.551 0.541) 3.650 11.616 ( -5.776 5.032 -3.484) 8.416 11.766 ( 10.783 -0.068 5.997) 12.339 11.933 ( -3.031 -0.117 -3.491) 4.624 12.335 ( 2.502 8.727 8.648) 12.538 12.455 ( -2.573 -2.323 -0.368) 3.486 12.903 ( -4.017 -1.915 -6.281) 7.697 13.036 ( -1.782 -1.994 7.629) 8.084 13.178 ( 0.689 -3.334 -1.370) 3.670 13.227 ( -0.565 6.764 3.820) 7.789 13.372 ( -4.717 -0.008 -0.663) 4.763 13.940 ( 12.257 -2.592 -6.729) 14.221 14.057 ( -8.575 -2.167 1.830) 9.032 14.432 ( -0.908 0.109 -1.518) 1.773 14.700 ( 1.157 0.443 0.598) 1.376 14.921 ( 2.775 6.269 -0.713) 6.893 15.412 ( -1.058 -1.157 2.135) 2.649 15.498 ( -4.043 0.657 3.979) 5.710 15.656 ( -6.525 -3.440 -2.463) 7.777 16.013 ( 4.749 0.538 -3.716) 6.054 16.320 ( -0.973 -10.315 3.551) 10.952 16.555 ( -0.222 1.487 -3.047) 3.398 16.975 ( -4.933 -2.767 2.610) 6.229 17.101 ( 6.236 -1.157 -3.678) 7.332 17.219 ( -2.387 -0.433 0.195) 2.434 17.329 ( -0.816 -2.593 1.391) 3.054 18.208 ( 1.525 0.869 2.627) 3.159 18.554 ( -12.798 5.689 7.734) 15.999 18.954 ( 21.338 1.036 -11.044) 24.049 19.837 ( 0.179 9.854 1.474) 9.965 21.400 ( 4.548 0.075 1.550) 4.806 21.944 ( -0.001 -3.554 -1.262) 3.771 22.007 ( -0.672 -1.837 -0.201) 1.967 22.068 ( 0.333 -0.789 1.936) 2.117 23.039 ( -2.789 -7.137 -10.033) 12.624 23.176 ( -8.157 -1.920 7.388) 11.172 ======================= Grid point 323 (153/172) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 3.727 16.212 4.825) 17.321 3.138 ( 13.172 21.150 -0.692) 24.926 3.215 ( -4.536 10.887 21.536) 24.554 4.117 ( 9.838 -2.958 -7.858) 12.934 4.309 ( 11.658 1.284 -5.566) 12.982 5.259 ( -17.726 7.857 -7.609) 20.829 5.572 ( 11.032 -4.531 -6.890) 13.774 5.661 ( -3.097 2.875 2.199) 4.764 6.044 ( 0.920 0.536 -11.523) 11.572 6.352 ( -0.306 -5.409 14.467) 15.448 6.900 ( -17.165 -10.839 5.098) 20.931 7.377 ( -6.241 -1.081 -0.135) 6.336 7.790 ( -4.594 5.553 -4.466) 8.479 8.159 ( -10.412 -0.953 -4.609) 11.427 8.552 ( 2.631 -2.573 -0.376) 3.699 8.630 ( 2.884 3.142 6.330) 7.633 8.727 ( -1.936 -0.069 3.494) 3.995 8.855 ( 5.380 -0.149 1.931) 5.718 9.000 ( 7.191 -2.647 -5.061) 9.184 9.447 ( -1.976 0.640 0.920) 2.272 10.640 ( -0.830 8.095 3.523) 8.867 10.841 ( -0.004 12.474 -1.846) 12.610 11.046 ( 5.781 0.640 -0.280) 5.823 11.159 ( 1.987 -2.074 -5.333) 6.057 11.423 ( -5.797 0.917 -4.266) 7.256 11.472 ( 3.598 5.513 3.779) 7.591 11.853 ( 1.079 -3.292 2.720) 4.404 11.950 ( 1.149 -1.672 -2.944) 3.576 12.248 ( 1.925 6.332 9.762) 11.794 12.504 ( 0.234 -3.324 -2.533) 4.186 12.791 ( -10.862 1.269 -10.682) 15.288 13.059 ( -0.206 -0.873 2.304) 2.473 13.117 ( 1.104 4.989 2.042) 5.503 13.248 ( -5.019 -1.204 2.771) 5.859 13.326 ( 1.639 -2.744 2.428) 4.014 14.061 ( -6.815 -6.985 2.779) 10.147 14.141 ( 16.963 -2.590 -9.454) 19.592 14.502 ( 4.063 -4.935 6.721) 9.276 14.701 ( 0.096 0.577 -2.186) 2.263 14.947 ( 9.765 -1.012 -2.540) 10.141 15.409 ( -6.442 -1.265 6.435) 9.193 15.477 ( 1.203 -1.165 3.254) 3.660 15.652 ( -3.534 -2.690 -2.601) 5.147 16.042 ( 1.584 -0.088 -1.381) 2.103 16.460 ( 0.523 -1.138 -2.562) 2.851 16.471 ( -2.342 0.599 -6.315) 6.762 16.967 ( -1.892 -0.295 7.447) 7.689 17.129 ( 2.841 3.915 0.319) 4.848 17.241 ( 0.468 -3.451 -3.851) 5.192 17.362 ( -0.046 -1.308 3.220) 3.476 18.087 ( -8.485 7.841 -1.591) 11.662 18.300 ( -15.376 5.966 5.882) 17.510 19.121 ( 17.809 3.497 -12.158) 21.845 19.722 ( -2.598 2.812 4.305) 5.761 21.457 ( 6.541 1.212 3.325) 7.437 21.972 ( -3.323 0.551 0.235) 3.376 22.001 ( 0.867 0.035 -0.884) 1.239 22.079 ( -0.022 0.154 2.134) 2.140 23.107 ( -2.313 -3.968 4.703) 6.573 23.200 ( -1.558 -7.610 -7.496) 10.795 ======================= Grid point 324 (154/172) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 0.656 24.185 -4.449) 24.600 2.817 ( -4.066 21.567 14.150) 26.113 3.031 ( 9.878 18.869 26.024) 33.628 4.037 ( -3.559 14.037 -12.021) 18.821 4.480 ( 5.486 -0.567 -1.470) 5.708 4.793 ( -21.187 14.131 -16.769) 30.492 5.599 ( 2.118 -1.794 -1.576) 3.192 5.810 ( 7.179 -9.223 -5.386) 12.869 6.141 ( 5.111 -9.891 -6.476) 12.880 6.572 ( 6.708 -12.126 9.195) 16.631 6.926 ( -15.656 -12.224 6.239) 20.820 7.340 ( -8.900 -4.425 1.019) 9.991 7.649 ( -1.625 4.362 -0.662) 4.702 8.026 ( -11.888 0.486 -5.908) 13.284 8.519 ( 2.438 8.634 9.289) 12.914 8.607 ( 0.324 0.295 -5.987) 6.003 8.793 ( 2.720 -2.528 6.585) 7.560 8.865 ( 2.055 2.002 -3.454) 4.490 9.133 ( 8.674 -0.474 -3.260) 9.278 9.388 ( -3.559 2.382 3.403) 5.470 10.508 ( -0.636 6.022 4.664) 7.643 10.644 ( -0.037 8.992 -2.128) 9.240 10.989 ( -3.365 5.960 0.625) 6.873 11.053 ( -11.091 5.127 -7.569) 14.373 11.419 ( 6.726 0.713 -2.928) 7.370 11.520 ( 5.051 -1.108 2.995) 5.975 11.915 ( -0.599 -0.636 2.633) 2.774 11.996 ( -5.887 -6.083 -1.418) 8.583 12.189 ( 4.726 3.361 7.061) 9.137 12.474 ( -8.523 -0.153 -1.362) 8.633 12.736 ( 3.746 -2.766 -16.195) 16.851 12.988 ( -5.296 5.120 -0.355) 7.375 13.126 ( -0.691 -3.354 10.641) 11.178 13.176 ( -3.009 -0.410 -2.125) 3.707 13.510 ( 10.585 -6.409 1.758) 12.498 14.106 ( -11.068 -7.996 3.073) 13.996 14.381 ( 19.259 -2.282 -8.044) 20.995 14.690 ( 5.793 -5.721 3.798) 8.984 14.722 ( 3.023 -5.362 -0.109) 6.156 15.107 ( 7.597 -4.703 -2.363) 9.242 15.351 ( -7.552 -0.448 9.188) 11.902 15.558 ( 6.121 -1.644 2.149) 6.693 15.647 ( -3.055 -1.344 -1.333) 3.594 16.022 ( -5.031 0.565 -2.663) 5.720 16.356 ( 2.439 4.913 -6.836) 8.765 16.509 ( -3.606 -1.954 -1.523) 4.375 16.958 ( 4.081 3.897 4.595) 7.277 17.085 ( 1.530 3.757 2.241) 4.635 17.270 ( -0.183 0.360 -2.567) 2.599 17.397 ( 1.884 -1.013 3.795) 4.356 17.785 ( -12.570 10.968 -2.901) 16.932 18.012 ( -16.138 6.801 2.490) 17.689 19.207 ( 14.274 5.025 -12.469) 19.608 19.653 ( -8.056 0.285 6.689) 10.475 21.517 ( 7.560 2.064 3.050) 8.409 21.869 ( -5.678 4.292 0.719) 7.154 22.015 ( 1.747 0.671 -0.142) 1.876 22.069 ( -0.253 1.033 1.672) 1.982 23.183 ( 1.604 -4.533 9.706) 10.831 23.329 ( 0.317 -8.783 -11.978) 14.856 ======================= Grid point 325 (155/172) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 6.028 19.785 -13.040) 24.450 2.400 ( -10.941 18.489 19.209) 28.819 2.861 ( 18.723 23.378 24.440) 38.657 3.519 ( -25.384 22.099 -15.430) 37.024 4.332 ( -2.190 13.486 -16.522) 21.439 4.369 ( -8.724 13.011 7.859) 17.526 5.804 ( 9.589 -11.344 -9.238) 17.492 5.988 ( -6.058 -10.544 6.415) 13.749 6.482 ( 17.480 -14.749 -12.081) 25.865 6.864 ( -11.328 -16.117 15.106) 24.825 7.022 ( 5.298 -9.810 -1.907) 11.311 7.318 ( -12.285 -7.248 -0.477) 14.272 7.634 ( 5.699 0.631 2.610) 6.300 7.862 ( -11.711 1.186 -6.068) 13.243 8.425 ( 5.763 8.286 8.463) 13.172 8.563 ( -3.671 2.155 -5.480) 6.939 8.833 ( 1.521 1.691 -0.304) 2.295 8.849 ( 0.880 1.364 0.376) 1.666 9.179 ( 7.262 4.143 -4.539) 9.513 9.308 ( -4.277 3.057 5.660) 7.725 10.438 ( 2.581 4.313 6.087) 7.894 10.530 ( 0.230 3.860 -4.873) 6.221 10.797 ( -8.439 8.442 -3.111) 12.335 10.821 ( -6.867 5.789 0.511) 8.996 11.467 ( 3.698 0.349 -3.154) 4.873 11.549 ( -2.121 1.128 2.011) 3.133 11.897 ( 0.330 0.539 -1.269) 1.418 11.954 ( -3.782 2.264 4.497) 6.297 12.315 ( 4.706 -6.672 0.616) 8.188 12.424 ( -4.804 -3.626 -1.329) 6.164 12.798 ( 3.367 -0.511 -14.232) 14.633 12.846 ( -5.080 3.260 7.369) 9.526 13.193 ( 3.046 -4.486 -7.433) 9.201 13.237 ( -2.484 -7.505 10.002) 12.749 13.754 ( 12.987 -5.247 -0.729) 14.026 14.073 ( -14.354 -4.889 1.931) 15.286 14.624 ( 17.284 -2.600 -4.990) 18.177 14.814 ( 0.788 -7.092 -1.430) 7.277 14.968 ( 7.867 -9.308 2.837) 12.513 15.228 ( -11.010 -7.587 3.233) 13.756 15.317 ( 9.124 2.478 4.869) 10.634 15.571 ( -6.687 0.251 -1.662) 6.895 15.703 ( 8.099 -2.027 1.702) 8.521 15.921 ( -8.536 -0.223 -4.192) 9.512 16.333 ( 5.256 3.288 -2.046) 6.529 16.450 ( -5.261 2.324 -0.757) 5.801 16.950 ( 8.145 5.373 0.133) 9.759 17.033 ( 0.256 4.089 2.631) 4.870 17.225 ( 0.936 4.850 1.411) 5.137 17.423 ( -11.548 1.533 -2.370) 11.888 17.462 ( 4.262 10.109 -0.173) 10.972 17.717 ( -15.332 6.074 1.892) 16.599 19.253 ( 13.023 4.774 -11.798) 18.209 19.526 ( -13.622 1.349 7.840) 15.775 21.555 ( 6.937 3.871 0.329) 7.951 21.709 ( -6.307 6.012 1.483) 8.838 22.022 ( 1.721 0.728 0.417) 1.915 22.047 ( -0.474 1.174 1.044) 1.641 23.336 ( 5.534 -6.281 8.730) 12.095 23.453 ( -1.323 -7.791 -9.589) 12.426 ======================= Grid point 326 (156/172) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 11.244 12.550 -21.152) 27.043 2.020 ( -11.244 12.550 21.152) 27.043 2.774 ( -27.629 20.257 -22.457) 40.964 2.774 ( 27.629 20.257 22.457) 40.964 4.084 ( 6.745 12.844 -33.911) 36.884 4.084 ( -6.745 12.844 33.911) 36.884 6.086 ( 9.484 -9.552 -12.662) 18.480 6.086 ( -9.484 -9.552 12.662) 18.480 6.946 ( 18.042 -14.936 -13.030) 26.803 6.946 ( -18.042 -14.936 13.030) 26.803 7.331 ( -10.960 -9.655 -1.017) 14.642 7.331 ( 10.960 -9.655 1.017) 14.642 7.710 ( -7.477 1.704 -4.946) 9.126 7.710 ( 7.477 1.704 4.946) 9.126 8.413 ( -7.999 4.598 -7.071) 11.625 8.413 ( 7.999 4.598 7.071) 11.625 8.817 ( -0.356 1.345 -1.933) 2.381 8.817 ( 0.356 1.345 1.933) 2.381 9.172 ( 3.288 5.650 -5.479) 8.529 9.172 ( -3.288 5.650 5.479) 8.529 10.430 ( -5.965 4.322 -8.961) 11.600 10.430 ( 5.965 4.322 8.961) 11.600 10.650 ( -3.182 4.482 -3.101) 6.311 10.650 ( 3.182 4.482 3.101) 6.311 11.492 ( 1.773 0.174 -4.209) 4.571 11.492 ( -1.773 0.174 4.209) 4.571 11.896 ( 0.866 1.276 -4.784) 5.027 11.896 ( -0.866 1.276 4.784) 5.027 12.461 ( -0.988 -5.135 -2.293) 5.710 12.461 ( 0.988 -5.135 2.293) 5.710 12.784 ( 2.248 2.040 -13.089) 13.436 12.784 ( -2.248 2.040 13.089) 13.436 13.358 ( 6.055 -9.095 -13.839) 17.632 13.358 ( -6.055 -9.095 13.839) 17.632 13.982 ( -12.112 -3.720 -0.670) 12.688 13.982 ( 12.112 -3.720 0.670) 12.688 14.858 ( -2.538 -4.040 -2.029) 5.184 14.858 ( 2.538 -4.040 2.029) 5.184 15.173 ( -9.423 -2.298 1.112) 9.763 15.173 ( 9.423 -2.298 -1.112) 9.763 15.482 ( -11.447 -3.882 -2.907) 12.432 15.482 ( 11.447 -3.882 2.907) 12.432 15.848 ( -5.405 -3.126 -4.020) 7.426 15.848 ( 5.405 -3.126 4.020) 7.426 16.320 ( -2.754 5.218 -3.958) 7.105 16.320 ( 2.754 5.218 3.958) 7.105 16.951 ( -2.359 3.416 -1.147) 4.307 16.951 ( 2.359 3.416 1.147) 4.307 17.145 ( -4.547 9.031 -9.460) 13.847 17.145 ( 4.547 9.031 9.460) 13.847 17.487 ( -8.938 3.210 0.459) 9.508 17.487 ( 8.938 3.210 -0.459) 9.508 19.331 ( 14.713 2.544 -9.089) 17.480 19.331 ( -14.713 2.544 9.089) 17.480 21.537 ( 2.114 5.936 -3.549) 7.232 21.537 ( -2.114 5.936 3.549) 7.232 22.026 ( 0.664 0.492 -1.387) 1.614 22.026 ( -0.664 0.492 1.387) 1.614 23.529 ( -2.155 -6.223 -10.546) 12.433 23.529 ( 2.155 -6.223 10.546) 12.433 ======================= Grid point 330 (157/172) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 25.172 0.000 -1.062) 25.195 2.722 ( 30.257 0.000 -21.877) 37.337 2.849 ( 33.762 0.000 0.216) 33.762 3.731 ( 2.188 0.000 32.536) 32.610 4.138 ( 17.071 0.000 -30.716) 35.141 4.473 ( 35.191 0.000 12.716) 37.418 5.836 ( -14.696 -0.000 18.105) 23.319 6.623 ( 2.429 0.000 -11.604) 11.856 6.775 ( -14.008 -0.000 1.770) 14.120 6.948 ( -11.634 -0.000 6.686) 13.419 7.393 ( -4.990 -0.000 5.832) 7.675 7.432 ( -15.211 -0.000 -8.373) 17.363 7.625 ( 10.457 0.000 -4.999) 11.590 7.995 ( 2.332 0.000 3.693) 4.368 8.096 ( 4.886 0.000 6.037) 7.767 8.574 ( -11.269 -0.000 4.028) 11.967 8.726 ( -1.378 -0.000 2.332) 2.709 8.753 ( 3.046 0.000 -7.797) 8.371 8.901 ( -0.136 -0.000 -11.260) 11.261 9.154 ( 7.497 0.000 0.481) 7.512 10.415 ( 10.051 0.000 5.810) 11.609 10.550 ( 3.338 0.000 6.534) 7.337 11.054 ( 19.994 0.000 2.418) 20.139 11.411 ( 17.969 0.000 -6.165) 18.997 11.591 ( -1.350 -0.000 -5.966) 6.117 11.725 ( 7.350 0.000 2.716) 7.835 11.934 ( 2.164 0.000 5.408) 5.825 11.977 ( 9.314 0.000 -1.826) 9.491 12.407 ( -5.600 -0.000 2.478) 6.124 12.707 ( 2.177 0.000 0.075) 2.178 12.747 ( 0.241 0.000 8.273) 8.277 13.111 ( -7.914 -0.000 7.768) 11.090 13.169 ( 14.676 0.000 -3.785) 15.156 13.548 ( -8.789 -0.000 -0.640) 8.812 13.566 ( -6.670 -0.000 -3.015) 7.319 13.796 ( -16.928 -0.000 2.985) 17.189 14.529 ( -14.678 -0.000 2.814) 14.946 14.700 ( -6.120 -0.000 -3.192) 6.902 15.129 ( -5.335 -0.000 2.477) 5.882 15.347 ( -0.877 -0.000 -2.072) 2.250 15.349 ( -4.618 -0.000 1.703) 4.922 15.504 ( 1.242 0.000 0.670) 1.411 15.769 ( -3.817 -0.000 2.605) 4.621 15.906 ( -4.960 -0.000 5.099) 7.114 16.157 ( -11.007 -0.000 -3.627) 11.589 16.277 ( 0.559 0.000 -2.074) 2.148 16.390 ( 6.193 0.000 1.729) 6.430 17.010 ( -0.472 -0.000 4.312) 4.337 17.127 ( -1.176 -0.000 -0.281) 1.209 17.240 ( 4.528 0.000 -14.198) 14.902 17.783 ( 16.688 0.000 13.167) 21.257 18.303 ( 27.190 0.000 -10.455) 29.131 19.019 ( 2.984 0.000 3.672) 4.732 20.433 ( 22.933 0.000 18.878) 29.704 21.296 ( -2.012 -0.000 5.027) 5.414 21.495 ( 1.361 0.000 -4.807) 4.996 21.973 ( -0.447 -0.000 -2.509) 2.549 22.023 ( -1.127 -0.000 2.764) 2.985 22.880 ( -24.791 -0.000 -9.138) 26.421 23.361 ( -10.546 -0.000 -9.043) 13.892 ======================= Grid point 331 (158/172) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 26.728 0.071 2.941) 26.890 3.013 ( 32.357 2.966 -16.719) 36.542 3.203 ( 31.692 3.640 -6.475) 32.551 3.850 ( 2.836 -5.135 29.361) 29.941 4.360 ( 16.041 -6.080 -20.809) 26.969 4.936 ( 26.372 -7.559 5.769) 28.035 5.683 ( -12.053 2.403 15.961) 20.144 6.363 ( -8.608 16.980 2.694) 19.227 6.625 ( -4.039 7.878 -4.408) 9.890 6.839 ( -10.489 -0.672 4.940) 11.613 7.143 ( -18.027 6.065 -3.142) 19.277 7.429 ( -9.379 -6.508 -2.485) 11.683 7.760 ( 10.540 -1.014 -7.843) 13.177 7.985 ( 10.652 3.025 2.967) 11.463 8.235 ( 1.665 -7.373 4.415) 8.754 8.465 ( -10.540 -0.632 0.753) 10.586 8.666 ( -0.152 3.079 1.339) 3.361 8.836 ( 1.378 -3.899 -3.179) 5.216 8.905 ( 1.946 -0.979 -9.637) 9.880 9.257 ( 4.765 -3.222 -1.179) 5.871 10.543 ( 9.720 -0.001 6.963) 11.957 10.621 ( 4.356 -2.145 6.870) 8.413 11.296 ( 18.618 -0.249 1.608) 18.689 11.537 ( 1.965 -0.356 -4.991) 5.375 11.565 ( 10.240 3.761 -2.950) 11.301 11.732 ( 7.784 9.470 0.239) 12.260 11.912 ( 0.977 3.742 2.751) 4.746 12.186 ( 10.994 -5.488 -2.235) 12.489 12.323 ( -6.561 1.695 4.483) 8.125 12.679 ( -2.889 1.110 1.843) 3.602 12.793 ( -0.360 -2.717 4.716) 5.454 13.012 ( -2.840 4.587 4.985) 7.345 13.297 ( 3.998 3.108 -3.251) 6.018 13.401 ( -5.022 1.823 -0.486) 5.365 13.493 ( 0.456 3.364 0.111) 3.396 13.674 ( -7.795 -3.231 0.303) 8.443 14.321 ( -16.631 4.001 4.013) 17.570 14.601 ( -6.511 0.100 -4.864) 8.127 14.976 ( -12.003 4.878 -0.202) 12.957 15.303 ( -5.533 0.324 1.708) 5.799 15.373 ( 7.136 2.826 -0.407) 7.686 15.557 ( -1.515 -4.575 1.012) 4.924 15.715 ( -5.964 -2.667 5.458) 8.513 15.752 ( -5.963 6.966 -1.854) 9.355 16.114 ( -2.892 0.244 1.464) 3.251 16.290 ( 1.527 -5.581 -0.806) 5.842 16.562 ( 1.146 -9.582 0.309) 9.655 17.037 ( -1.186 -3.345 3.508) 4.990 17.101 ( -1.801 0.192 -2.587) 3.158 17.260 ( -0.778 -1.841 -9.165) 9.380 18.008 ( 16.621 -0.792 12.733) 20.953 18.623 ( 28.316 -1.362 -11.236) 30.494 19.015 ( 3.371 5.909 2.234) 7.160 20.584 ( 14.827 12.749 18.449) 26.884 21.300 ( -0.507 -1.752 2.488) 3.085 21.574 ( 1.124 -7.770 -2.850) 8.352 21.948 ( -2.503 3.262 -2.143) 4.636 21.986 ( 0.058 -0.330 -0.979) 1.035 22.689 ( -19.928 -10.183 -6.302) 23.250 23.225 ( -11.852 -0.727 -7.573) 14.084 ======================= Grid point 332 (159/172) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 25.853 -1.448 4.094) 26.215 3.330 ( 34.838 2.476 -15.771) 38.321 3.425 ( 22.412 5.064 -4.804) 23.473 4.055 ( 7.002 -5.856 22.883) 24.637 4.541 ( 8.030 0.970 -9.949) 12.822 5.274 ( 8.814 -6.130 -1.239) 10.808 5.555 ( -5.117 2.619 11.300) 12.678 5.996 ( -6.088 13.956 2.631) 15.452 6.439 ( 2.592 11.405 7.889) 14.108 6.673 ( -8.282 8.474 -8.892) 14.815 6.830 ( -23.327 0.346 6.575) 24.238 7.379 ( -10.860 -3.384 -8.215) 14.031 7.887 ( 8.211 -3.047 -10.588) 13.741 8.153 ( 13.585 -1.317 5.599) 14.752 8.308 ( -11.428 -2.166 0.559) 11.645 8.427 ( 3.496 -5.723 0.442) 6.720 8.629 ( -0.281 1.198 4.347) 4.518 8.893 ( 1.698 -1.185 -3.928) 4.441 8.925 ( 1.117 -0.336 -5.397) 5.521 9.353 ( 0.821 -3.972 -2.059) 4.549 10.657 ( 4.502 -2.575 6.292) 8.154 10.762 ( 11.677 -2.455 6.838) 13.752 11.379 ( 5.671 7.181 -3.759) 9.892 11.545 ( 4.656 1.780 -5.547) 7.458 11.566 ( 0.210 8.600 1.392) 8.715 11.754 ( 21.676 2.768 -1.381) 21.896 11.844 ( 0.974 5.466 2.664) 6.158 12.126 ( -4.738 9.303 2.623) 10.764 12.338 ( -3.479 -2.326 -0.345) 4.200 12.701 ( 2.970 0.432 7.265) 7.860 12.821 ( 0.758 -2.029 -2.467) 3.283 12.909 ( -7.119 1.560 7.118) 10.187 13.145 ( -4.813 3.441 -6.195) 8.567 13.369 ( -4.406 1.249 2.831) 5.384 13.463 ( 4.698 4.845 3.087) 7.421 13.781 ( 8.549 -6.713 -3.762) 11.502 14.071 ( -15.038 2.912 2.951) 15.599 14.509 ( -3.220 3.663 -5.175) 7.111 14.781 ( -8.183 1.990 -1.850) 8.622 15.184 ( -4.285 6.736 1.669) 8.156 15.381 ( -1.573 -0.652 1.682) 2.394 15.540 ( -3.632 2.832 6.036) 7.593 15.572 ( -7.806 0.063 -7.157) 10.590 15.885 ( 4.959 -11.639 2.244) 12.849 16.077 ( -0.368 1.449 0.154) 1.503 16.440 ( 1.732 -7.212 3.349) 8.138 16.711 ( -4.527 -9.542 -0.769) 10.590 17.081 ( 0.497 -0.377 -5.187) 5.224 17.102 ( -3.170 -5.302 2.933) 6.838 17.261 ( -2.675 -2.120 -3.412) 4.826 18.212 ( 13.429 0.263 10.272) 16.909 18.846 ( 3.356 7.611 -5.459) 9.949 18.982 ( 22.825 3.013 -3.047) 23.223 20.395 ( 2.072 20.204 8.568) 22.044 21.363 ( 4.079 -2.499 1.051) 4.898 21.742 ( 0.710 -9.067 0.217) 9.097 21.891 ( -1.297 -1.215 -3.149) 3.616 22.016 ( 0.994 -1.824 0.476) 2.131 22.708 ( -12.492 -12.568 -2.972) 17.968 23.096 ( -12.533 -1.922 -4.069) 13.316 ======================= Grid point 333 (160/172) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 21.826 -2.596 2.581) 22.131 3.508 ( 9.604 5.841 1.155) 11.300 3.644 ( 34.101 7.680 -5.975) 35.462 4.225 ( 7.622 1.641 3.671) 8.618 4.495 ( 7.910 8.973 4.517) 12.786 5.333 ( -7.304 -1.329 -7.359) 10.453 5.536 ( 4.220 0.773 4.321) 6.089 5.767 ( -5.008 5.841 0.410) 7.705 6.304 ( -0.249 10.802 -2.100) 11.007 6.377 ( -8.537 7.358 8.144) 13.904 6.647 ( -16.618 -3.760 3.586) 17.411 7.294 ( -11.620 -3.223 -7.116) 14.002 7.966 ( 3.722 2.126 -12.149) 12.883 8.131 ( -10.280 0.508 2.101) 10.504 8.381 ( 8.109 -4.616 5.382) 10.772 8.571 ( 3.199 -1.903 -1.403) 3.978 8.677 ( 2.627 -5.916 7.675) 10.041 8.910 ( 2.789 0.925 -3.789) 4.795 8.921 ( 0.335 0.260 -3.687) 3.711 9.400 ( -2.697 -3.012 -1.118) 4.195 10.760 ( 3.547 -2.421 6.418) 7.722 10.993 ( 15.736 -4.547 4.471) 16.979 11.260 ( 1.901 9.436 -4.253) 10.523 11.359 ( 1.263 14.104 -2.604) 14.398 11.508 ( -1.047 5.474 -9.249) 10.798 11.741 ( 2.817 7.648 5.211) 9.674 11.903 ( -5.003 7.047 4.087) 9.560 11.983 ( 15.011 0.893 -0.241) 15.039 12.342 ( -0.591 -3.128 -1.954) 3.735 12.580 ( -0.357 12.017 7.634) 14.242 12.780 ( -12.149 -2.325 1.021) 12.412 12.985 ( 4.510 -5.232 2.363) 7.300 13.115 ( 1.702 -2.041 -4.834) 5.516 13.298 ( -6.345 -0.145 0.576) 6.373 13.388 ( 0.085 8.182 4.911) 9.543 13.893 ( -11.828 -2.951 3.290) 12.626 14.012 ( 10.238 -4.365 -7.232) 13.273 14.439 ( 2.488 1.861 -1.681) 3.532 14.712 ( -2.195 -0.461 -3.097) 3.824 15.035 ( -1.935 4.733 0.753) 5.168 15.370 ( -3.768 -0.399 4.474) 5.863 15.436 ( -6.578 -1.398 6.519) 9.366 15.563 ( 0.805 -1.280 -7.454) 7.606 16.051 ( -2.536 -0.147 1.203) 2.811 16.151 ( 6.757 -9.833 -2.574) 12.205 16.550 ( 0.809 -2.062 1.405) 2.623 16.795 ( -7.327 -8.944 1.719) 11.689 17.102 ( 0.556 -2.614 -6.287) 6.831 17.158 ( -2.502 -4.066 2.627) 5.450 17.274 ( -1.536 -2.540 0.683) 3.046 18.306 ( 6.543 4.673 5.980) 10.020 18.624 ( -5.007 12.703 2.556) 13.891 19.217 ( 22.524 2.299 -9.822) 24.680 20.059 ( -3.303 16.338 2.932) 16.925 21.467 ( 7.228 -1.228 2.284) 7.679 21.870 ( -0.504 -5.288 1.527) 5.527 21.936 ( -0.321 -4.122 -2.117) 4.645 22.062 ( 1.043 -1.366 2.278) 2.854 22.803 ( -6.727 -11.823 -7.174) 15.378 23.008 ( -11.411 -4.504 1.729) 12.389 ======================= Grid point 334 (161/172) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 9.652 8.195 -0.615) 12.676 3.405 ( -1.219 13.056 12.819) 18.338 3.764 ( 26.763 18.987 2.898) 32.942 4.260 ( 17.043 2.722 -5.885) 18.235 4.518 ( 10.860 6.246 1.902) 12.672 5.139 ( -19.441 4.779 -8.377) 21.701 5.611 ( 5.717 -0.412 -5.040) 7.633 5.677 ( -0.623 -0.436 1.446) 1.634 6.031 ( -11.132 4.853 -8.124) 14.611 6.313 ( -2.942 -0.524 13.446) 13.774 6.600 ( -5.754 -5.634 4.926) 9.440 7.201 ( -13.623 -3.706 -3.576) 14.564 7.853 ( -2.030 6.890 -5.510) 9.053 8.037 ( -8.114 0.223 -1.979) 8.355 8.550 ( 5.761 -2.778 -0.225) 6.400 8.633 ( 3.796 -3.473 5.878) 7.812 8.742 ( -2.909 1.407 4.488) 5.531 8.901 ( -1.589 -0.945 -4.824) 5.166 9.019 ( 10.680 -3.581 -1.012) 11.310 9.399 ( -4.788 -1.934 -0.018) 5.164 10.800 ( 3.365 5.219 6.396) 8.915 11.096 ( 1.140 15.745 -4.156) 16.324 11.122 ( -1.151 5.765 -3.392) 6.787 11.267 ( 16.943 0.224 -0.090) 16.945 11.345 ( -6.402 1.740 -5.586) 8.672 11.660 ( 5.598 6.815 6.534) 10.976 11.774 ( -4.953 1.692 0.606) 5.269 12.056 ( 5.253 4.488 -1.115) 6.998 12.362 ( -1.993 3.519 6.065) 7.290 12.462 ( -1.079 0.432 0.417) 1.235 12.686 ( -3.449 0.052 -4.053) 5.322 13.065 ( 2.516 -0.047 -1.690) 3.031 13.178 ( -2.396 0.266 0.441) 2.451 13.207 ( -7.634 3.794 1.942) 8.743 13.301 ( 5.951 -2.832 2.159) 6.935 13.845 ( -11.264 -6.062 2.071) 12.958 14.219 ( 12.020 -6.153 -6.715) 15.081 14.485 ( 3.081 -2.770 5.653) 7.009 14.703 ( 0.541 0.295 -6.566) 6.595 14.988 ( -3.221 -1.201 0.747) 3.518 15.372 ( 2.877 -0.663 8.395) 8.899 15.459 ( 0.821 -3.223 3.063) 4.522 15.584 ( 0.559 -1.269 -5.938) 6.098 16.016 ( -5.483 -0.471 0.308) 5.512 16.348 ( 3.027 -6.436 -3.798) 8.063 16.515 ( -3.289 2.864 -4.385) 6.184 16.901 ( -0.060 -7.176 7.665) 10.501 17.148 ( -3.257 -4.163 -3.383) 6.276 17.200 ( 2.541 -1.033 -0.786) 2.854 17.310 ( -1.828 -3.267 2.118) 4.301 18.194 ( -1.724 11.788 2.459) 12.165 18.334 ( -7.341 12.318 1.881) 14.463 19.371 ( 17.154 4.216 -10.668) 20.635 19.802 ( -4.252 8.908 4.647) 10.910 21.570 ( 8.659 0.536 2.842) 9.130 21.917 ( -4.123 -2.026 1.459) 4.820 21.992 ( 1.525 -2.109 -1.464) 2.986 22.081 ( -0.352 -0.104 2.186) 2.216 22.940 ( -2.444 -11.036 -8.879) 14.373 23.010 ( -7.301 -7.751 4.850) 11.701 ======================= Grid point 335 (162/172) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 3.867 22.521 -10.694) 25.229 3.106 ( -6.316 18.935 18.201) 27.013 3.711 ( 27.470 23.417 14.483) 38.894 4.254 ( -5.782 17.276 -7.462) 19.687 4.555 ( 9.243 -0.078 -2.766) 9.648 4.764 ( -14.726 8.957 -10.498) 20.181 5.610 ( 0.274 0.428 -1.120) 1.230 5.705 ( -4.208 -3.888 -0.516) 5.753 6.047 ( 10.341 -9.053 -9.115) 16.491 6.347 ( -13.054 -11.168 11.878) 20.885 6.735 ( 9.940 -5.979 2.021) 11.774 7.099 ( -16.528 -5.053 -0.243) 17.285 7.740 ( 3.095 5.073 -1.267) 6.076 7.907 ( -9.989 1.937 -2.127) 10.395 8.599 ( 2.246 0.542 -2.821) 3.646 8.652 ( -2.790 3.966 4.184) 6.405 8.791 ( 5.395 -4.108 7.268) 9.940 8.894 ( -0.818 -0.555 -5.919) 6.001 9.191 ( 8.461 -2.616 -1.572) 8.994 9.356 ( -6.095 -0.327 1.450) 6.273 10.692 ( 4.072 10.891 5.842) 13.013 10.821 ( -2.936 12.746 -5.617) 14.235 11.027 ( -1.245 5.230 1.848) 5.685 11.108 ( -4.457 8.997 -6.340) 11.874 11.520 ( 10.316 -2.222 -1.198) 10.620 11.647 ( 6.031 7.125 4.517) 10.370 11.766 ( -1.016 -7.415 2.954) 8.046 11.975 ( -4.749 3.623 -3.400) 6.873 12.291 ( -0.356 3.107 6.612) 7.314 12.366 ( -8.300 0.693 -2.013) 8.569 12.753 ( 10.669 -0.627 -9.429) 14.252 12.999 ( -9.289 4.622 2.642) 10.706 13.108 ( -0.862 -0.317 6.512) 6.576 13.133 ( -1.526 -0.192 -4.064) 4.346 13.524 ( 12.571 -7.170 0.095) 14.472 13.831 ( -13.180 -7.634 2.526) 15.440 14.475 ( 12.074 -7.076 -2.916) 14.295 14.615 ( 0.441 -7.458 3.147) 8.107 14.712 ( 6.253 -0.486 -6.656) 9.145 14.964 ( -11.654 -5.254 3.969) 13.385 15.443 ( 8.601 2.474 4.852) 10.180 15.571 ( -0.921 -3.823 -1.424) 4.182 15.609 ( 7.887 -0.904 1.426) 8.065 15.921 ( -11.810 -0.047 -2.070) 11.990 16.421 ( 0.231 0.956 -5.660) 5.745 16.438 ( -1.625 -1.000 0.278) 1.928 17.039 ( 5.458 -2.716 5.575) 8.261 17.145 ( -1.797 0.358 0.244) 1.848 17.254 ( 2.664 -1.788 -4.857) 5.821 17.341 ( -4.077 -3.242 3.142) 6.083 17.927 ( -2.116 14.589 3.242) 15.093 18.031 ( -8.648 11.924 -2.545) 14.948 19.438 ( 12.806 5.424 -10.987) 17.724 19.635 ( -7.111 5.115 8.232) 12.021 21.654 ( 8.897 1.931 2.280) 9.385 21.848 ( -7.212 1.891 0.126) 7.457 22.037 ( 2.170 -0.526 -1.113) 2.495 22.075 ( -1.172 0.141 1.743) 2.105 23.085 ( -0.833 -8.590 7.554) 11.470 23.127 ( -1.761 -10.642 -9.450) 14.341 ======================= Grid point 336 (163/172) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 8.064 22.851 -15.277) 28.645 2.676 ( -8.064 22.851 15.277) 28.645 3.620 ( -26.724 25.469 -15.977) 40.226 3.620 ( 26.724 25.469 15.977) 40.226 4.520 ( 0.843 9.679 -12.850) 16.109 4.520 ( -0.843 9.679 12.850) 16.109 5.735 ( 8.502 -8.036 -5.850) 13.080 5.735 ( -8.502 -8.036 5.850) 13.080 6.416 ( 15.893 -14.560 -13.811) 25.599 6.416 ( -15.893 -14.560 13.811) 25.599 7.014 ( -14.155 -7.450 0.045) 15.996 7.014 ( 14.155 -7.450 -0.045) 15.996 7.753 ( -9.106 2.068 -2.516) 9.671 7.753 ( 9.106 2.068 2.516) 9.671 8.576 ( -0.529 3.484 -8.180) 8.906 8.576 ( 0.529 3.484 8.180) 8.906 8.875 ( -0.561 0.562 -6.378) 6.427 8.875 ( 0.561 0.562 6.378) 6.427 9.287 ( 5.936 0.638 -3.877) 7.118 9.287 ( -5.936 0.638 3.877) 7.118 10.588 ( -4.337 7.520 -7.101) 11.215 10.588 ( 4.337 7.520 7.101) 11.215 10.908 ( -0.680 8.411 -6.012) 10.361 10.908 ( 0.680 8.411 6.012) 10.361 11.570 ( 4.010 4.159 -5.056) 7.677 11.570 ( -4.010 4.159 5.056) 7.677 11.899 ( -2.673 -2.710 -3.495) 5.167 11.899 ( 2.673 -2.710 3.495) 5.167 12.306 ( -4.022 -1.836 -3.817) 5.841 12.306 ( 4.022 -1.836 3.817) 5.841 12.840 ( 7.764 1.722 -10.717) 13.345 12.840 ( -7.764 1.722 10.717) 13.345 13.141 ( 0.890 -2.648 -9.704) 10.098 13.141 ( -0.890 -2.648 9.704) 10.098 13.805 ( -13.968 -6.914 2.236) 15.746 13.805 ( 13.968 -6.914 -2.236) 15.746 14.683 ( -4.887 -5.033 -4.327) 8.242 14.683 ( 4.887 -5.033 4.327) 8.242 14.931 ( -3.148 -8.408 -1.827) 9.162 14.931 ( 3.148 -8.408 1.827) 9.162 15.504 ( -7.046 2.654 -4.158) 8.601 15.504 ( 7.046 2.654 4.158) 8.601 15.779 ( -10.813 -1.590 -4.677) 11.888 15.779 ( 10.813 -1.590 4.677) 11.888 16.418 ( 0.603 0.769 -3.812) 3.935 16.418 ( -0.603 0.769 3.812) 3.935 17.095 ( -2.390 3.068 -0.148) 3.892 17.095 ( 2.390 3.068 0.148) 3.892 17.317 ( 0.557 -0.472 -9.159) 9.188 17.317 ( -0.557 -0.472 9.159) 9.188 17.724 ( -3.282 11.327 -8.651) 14.625 17.724 ( 3.282 11.327 8.651) 14.625 19.461 ( 9.874 4.793 -11.490) 15.890 19.461 ( -9.874 4.793 11.490) 15.890 21.709 ( -4.827 3.497 -3.496) 6.910 21.709 ( 4.827 3.497 3.496) 6.910 22.054 ( 0.613 0.716 -3.115) 3.254 22.054 ( -0.613 0.716 3.115) 3.254 23.262 ( -2.049 -8.849 -11.489) 14.646 23.262 ( 2.049 -8.849 11.489) 14.646 ======================= Grid point 342 (164/172) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 27.656 0.000 6.401) 28.387 3.359 ( 29.518 0.000 -14.588) 32.926 3.625 ( 30.816 0.000 -0.557) 30.821 3.862 ( 2.501 0.000 21.982) 22.124 4.489 ( 19.399 0.000 -16.093) 25.205 5.136 ( 16.242 0.000 0.542) 16.251 5.602 ( -9.046 -0.000 14.139) 16.785 6.449 ( -15.448 -0.000 5.853) 16.519 6.531 ( -7.093 -0.000 -1.623) 7.276 6.720 ( -8.358 -0.000 -1.275) 8.455 7.035 ( -14.418 -0.000 -11.313) 18.326 7.285 ( -5.817 -0.000 7.555) 9.535 7.830 ( 4.138 0.000 -3.581) 5.473 8.141 ( -1.724 -0.000 -3.463) 3.868 8.164 ( 13.830 0.000 3.510) 14.269 8.393 ( -2.992 -0.000 2.044) 3.624 8.710 ( -0.036 -0.000 3.763) 3.763 8.818 ( 3.822 0.000 -3.753) 5.357 8.889 ( 1.291 0.000 -11.925) 11.995 9.268 ( 1.793 0.000 -1.322) 2.227 10.624 ( 1.630 0.000 8.561) 8.715 10.706 ( 12.304 0.000 8.422) 14.911 11.507 ( -2.168 -0.000 -4.117) 4.653 11.527 ( 19.452 0.000 0.515) 19.458 11.689 ( 6.682 0.000 0.639) 6.712 11.937 ( -1.063 -0.000 -0.386) 1.131 12.003 ( 10.727 0.000 1.823) 10.881 12.184 ( 8.445 0.000 -4.062) 9.372 12.338 ( 1.375 0.000 1.231) 1.846 12.670 ( -3.096 -0.000 -4.640) 5.578 12.678 ( -11.220 -0.000 11.902) 16.357 13.047 ( 0.603 0.000 0.331) 0.688 13.294 ( -6.852 -0.000 -2.045) 7.150 13.431 ( 0.226 0.000 -0.202) 0.303 13.566 ( 7.640 0.000 -0.523) 7.658 13.571 ( -1.464 -0.000 1.350) 1.991 14.205 ( -15.098 -0.000 4.729) 15.821 14.476 ( -6.764 -0.000 -6.950) 9.698 14.909 ( -9.736 -0.000 3.503) 10.347 15.223 ( -6.462 -0.000 1.707) 6.684 15.453 ( -5.457 -0.000 5.784) 7.952 15.491 ( 4.708 0.000 -3.920) 6.126 15.581 ( -10.586 -0.000 -2.586) 10.897 15.795 ( -6.455 -0.000 5.135) 8.248 16.080 ( 5.031 0.000 4.229) 6.573 16.291 ( 1.578 0.000 -6.500) 6.688 16.477 ( 0.485 0.000 1.963) 2.022 16.985 ( -2.699 -0.000 3.434) 4.368 17.078 ( -2.266 -0.000 -0.946) 2.455 17.195 ( -4.090 -0.000 -8.471) 9.407 18.222 ( 17.031 0.000 12.644) 21.212 18.900 ( 21.998 0.000 -12.523) 25.313 19.167 ( 13.377 0.000 -0.045) 13.377 20.916 ( 11.325 0.000 23.854) 26.405 21.278 ( -1.135 -0.000 5.561) 5.676 21.486 ( -1.423 -0.000 -4.039) 4.282 21.958 ( -1.035 -0.000 -1.893) 2.157 21.997 ( -1.776 -0.000 1.592) 2.385 22.306 ( -18.196 -0.000 -13.465) 22.637 23.068 ( -12.222 -0.000 -8.836) 15.082 ======================= Grid point 343 (165/172) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 25.880 1.547 8.956) 27.429 3.685 ( 29.871 -1.257 -13.364) 32.748 3.767 ( 12.522 8.116 6.908) 16.443 4.095 ( 14.833 -7.664 9.137) 19.033 4.673 ( 14.912 1.504 -8.632) 17.296 5.256 ( 0.551 -2.219 -4.483) 5.033 5.544 ( -3.052 0.119 9.896) 10.357 6.136 ( -11.065 12.218 4.136) 16.994 6.513 ( -13.058 -5.294 4.001) 14.647 6.588 ( -11.213 3.471 -5.345) 12.897 6.779 ( -4.446 11.419 0.087) 12.254 7.240 ( -6.409 -0.213 -1.760) 6.650 7.881 ( 3.554 -2.954 -3.937) 6.071 8.146 ( -6.744 -3.582 -1.971) 7.886 8.331 ( 14.207 0.989 3.114) 14.578 8.402 ( 4.303 -1.819 0.173) 4.675 8.690 ( 2.036 3.280 3.720) 5.361 8.875 ( 1.544 -1.825 -1.900) 3.054 8.902 ( 0.627 -2.014 -9.379) 9.613 9.286 ( -2.154 -2.398 -2.400) 4.019 10.676 ( 3.257 -1.443 9.087) 9.760 10.873 ( 11.324 -1.940 7.408) 13.671 11.452 ( -1.900 2.905 -2.964) 4.564 11.703 ( 13.153 3.255 -2.483) 13.775 11.721 ( 4.298 4.647 -0.910) 6.395 11.904 ( -1.516 1.464 -0.675) 2.213 12.041 ( 9.282 3.217 2.704) 10.189 12.211 ( 1.608 7.182 0.193) 7.362 12.373 ( 5.064 3.463 -3.574) 7.100 12.575 ( -11.849 -5.995 10.834) 17.138 12.716 ( 1.110 -6.533 -5.065) 8.341 13.011 ( 1.764 6.795 1.489) 7.176 13.175 ( -3.376 4.246 -3.273) 6.336 13.361 ( -4.003 2.907 1.445) 5.154 13.562 ( 0.172 1.224 1.074) 1.637 13.747 ( 9.199 -5.751 -0.379) 10.856 13.977 ( -14.289 4.250 2.983) 15.203 14.495 ( -0.586 -6.547 -6.229) 9.056 14.725 ( -7.008 8.753 3.474) 11.738 15.186 ( -5.228 -1.055 1.349) 5.501 15.321 ( -7.674 2.560 1.489) 8.226 15.498 ( -5.935 2.063 -6.933) 9.357 15.559 ( -4.854 -3.743 5.080) 7.961 15.736 ( -0.327 -5.419 2.721) 6.073 16.149 ( 5.692 2.843 0.544) 6.385 16.360 ( 4.637 -6.131 0.607) 7.710 16.521 ( -4.359 -5.176 0.663) 6.799 16.984 ( -4.084 -3.394 1.794) 5.605 17.055 ( -1.701 -0.577 -2.717) 3.257 17.160 ( -4.581 -3.327 -3.643) 6.733 18.417 ( 14.978 1.629 11.407) 18.898 18.991 ( 3.420 4.779 -9.814) 11.439 19.356 ( 28.017 5.851 -2.919) 28.770 20.778 ( -3.687 21.533 13.608) 25.738 21.343 ( 3.065 -5.135 1.613) 6.193 21.569 ( -2.255 -10.442 2.311) 10.930 21.877 ( -1.757 1.839 -3.306) 4.171 22.003 ( 0.807 -1.569 1.244) 2.159 22.310 ( -8.822 -14.170 -5.135) 17.464 22.916 ( -12.624 -0.809 -8.063) 15.002 ======================= Grid point 344 (166/172) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 21.125 1.497 7.103) 22.337 3.730 ( 5.490 7.850 4.486) 10.577 4.059 ( 28.306 -2.213 -4.159) 28.695 4.366 ( 14.819 -2.025 -1.309) 15.014 4.729 ( 10.025 6.398 0.732) 11.915 5.203 ( -11.395 0.070 -7.120) 13.437 5.574 ( 3.432 -1.716 4.147) 5.650 5.839 ( -6.700 9.928 1.965) 12.137 6.279 ( -16.927 8.331 -8.722) 20.784 6.400 ( -18.597 -1.162 8.802) 20.608 6.647 ( 9.498 9.494 8.807) 16.060 7.137 ( -8.311 0.958 -8.193) 11.710 7.978 ( 3.043 -3.013 -8.566) 9.577 8.074 ( -5.883 2.480 1.235) 6.503 8.438 ( 6.477 -0.887 8.636) 10.832 8.565 ( 6.813 -5.973 -5.140) 10.417 8.671 ( 2.949 2.597 4.557) 6.017 8.880 ( -2.419 0.025 -2.380) 3.393 8.953 ( 4.096 -2.344 -4.571) 6.570 9.288 ( -5.845 -3.525 -1.574) 7.005 10.779 ( 5.424 -2.644 8.923) 10.772 11.053 ( 6.536 -5.118 2.766) 8.750 11.363 ( 1.459 5.735 -0.739) 5.964 11.618 ( 4.134 12.030 -4.381) 13.454 11.673 ( 2.515 7.848 -8.467) 11.815 11.894 ( 5.307 3.610 3.786) 7.452 11.944 ( -9.266 6.763 6.899) 13.386 12.210 ( 11.470 5.689 -5.094) 13.779 12.348 ( 4.395 0.307 1.959) 4.822 12.569 ( -10.205 -4.493 2.244) 11.374 12.768 ( -0.865 7.809 3.803) 8.729 12.970 ( 7.300 -5.113 -2.386) 9.226 13.132 ( 3.204 1.352 -3.513) 4.943 13.263 ( -3.173 3.998 1.035) 5.208 13.490 ( -5.602 4.447 3.330) 7.890 13.720 ( -13.932 1.066 5.278) 14.937 14.000 ( 8.547 -6.534 -5.143) 11.925 14.524 ( -10.261 1.142 2.771) 10.690 14.631 ( 10.261 -1.130 -6.638) 12.274 15.067 ( -6.100 5.154 1.559) 8.137 15.301 ( -3.321 -4.220 1.954) 5.714 15.353 ( -6.238 0.164 -0.301) 6.247 15.588 ( 3.137 -0.136 -0.196) 3.146 15.888 ( -5.464 -9.783 2.392) 11.458 16.182 ( 8.070 0.066 -3.886) 8.957 16.512 ( -2.641 -2.379 2.154) 4.156 16.572 ( 0.310 -9.352 3.129) 9.866 16.983 ( -7.367 -4.131 -3.040) 8.977 17.082 ( 0.887 -3.829 -1.225) 4.117 17.188 ( -3.010 -4.429 0.451) 5.374 18.519 ( 10.278 6.151 8.770) 14.846 18.827 ( -1.640 12.599 -4.836) 13.594 19.543 ( 24.019 6.925 -6.085) 25.727 20.316 ( -9.763 20.592 4.497) 23.228 21.496 ( 6.200 -5.507 -0.241) 8.296 21.725 ( -3.388 -9.268 3.944) 10.627 21.893 ( 2.594 -2.338 -0.211) 3.499 22.047 ( 0.163 -2.008 2.348) 3.094 22.480 ( -4.492 -14.317 -3.243) 15.352 22.796 ( -11.944 -3.532 -4.995) 13.419 ======================= Grid point 345 (167/172) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( 10.382 5.576 1.135) 11.839 3.617 ( -0.846 9.655 6.272) 11.544 4.329 ( 24.973 8.153 3.454) 26.496 4.526 ( 18.739 1.700 -8.144) 20.503 4.718 ( 2.948 6.764 4.663) 8.729 4.970 ( -19.639 3.907 -6.529) 21.061 5.641 ( -2.249 1.231 2.153) 3.348 5.679 ( 2.105 1.962 -1.966) 3.485 5.984 ( -5.322 5.193 -8.098) 10.994 6.197 ( -17.954 0.628 9.900) 20.512 6.669 ( 12.254 3.548 8.295) 15.217 6.994 ( -12.692 -0.071 -7.714) 14.852 7.950 ( 0.082 5.835 -4.977) 7.670 7.987 ( -3.355 1.854 0.362) 3.850 8.570 ( 6.006 -3.730 5.463) 8.935 8.668 ( 3.878 -0.792 -2.453) 4.656 8.697 ( -0.786 -2.024 3.459) 4.085 8.825 ( -5.033 -0.159 -3.457) 6.108 9.078 ( 8.981 -3.541 -1.133) 9.720 9.273 ( -7.572 -3.873 -0.278) 8.510 10.903 ( 6.924 -0.910 8.431) 10.948 11.112 ( -7.930 -0.962 -6.381) 10.223 11.350 ( 7.446 4.008 5.240) 9.948 11.397 ( 2.730 14.954 -6.231) 16.429 11.539 ( 5.934 9.725 -6.674) 13.203 11.706 ( -8.318 4.637 5.101) 10.803 11.931 ( 9.308 6.327 7.127) 13.322 12.154 ( -1.877 4.929 -8.066) 9.637 12.390 ( -2.130 1.078 10.329) 10.601 12.432 ( -7.204 4.256 -7.261) 11.079 12.769 ( 13.304 1.199 2.974) 13.685 13.100 ( -11.147 -0.947 -0.550) 11.200 13.119 ( 5.401 1.954 -2.783) 6.382 13.199 ( 1.694 2.025 -0.517) 2.690 13.359 ( 2.379 1.196 3.355) 4.283 13.605 ( -13.615 -4.844 1.641) 14.544 14.215 ( 10.381 -6.611 -3.943) 12.924 14.439 ( -7.829 -2.899 4.024) 9.268 14.725 ( 7.369 0.740 -7.794) 10.752 14.913 ( -9.052 2.704 4.519) 10.472 15.369 ( 3.047 -5.777 -1.581) 6.720 15.395 ( -0.685 -5.020 3.766) 6.313 15.640 ( 8.315 1.120 -0.325) 8.396 15.896 ( -10.538 -2.463 0.283) 10.826 16.312 ( 6.802 -3.736 -3.432) 8.485 16.466 ( -7.276 -0.931 -0.581) 7.359 16.792 ( 6.041 -9.061 6.429) 12.647 16.982 ( -7.376 -6.555 -4.215) 10.730 17.173 ( 2.070 -4.043 -0.581) 4.579 17.229 ( -2.663 -3.714 0.983) 4.674 18.443 ( 4.202 13.300 4.187) 14.562 18.536 ( -3.304 15.946 -1.493) 16.353 19.640 ( 16.447 7.141 -7.736) 19.529 19.919 ( -9.703 12.388 4.671) 16.415 21.654 ( 7.891 -2.973 -0.200) 8.435 21.805 ( -5.448 -4.927 2.741) 7.840 21.981 ( 3.974 -2.422 0.504) 4.681 22.065 ( -2.113 -0.856 0.919) 2.458 22.687 ( -0.089 -13.150 -5.459) 14.238 22.779 ( -8.187 -8.722 1.607) 12.070 ======================= Grid point 346 (168/172) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 3.043 15.099 -15.230) 21.661 3.388 ( -3.043 15.099 15.230) 21.661 4.393 ( -21.572 16.873 -9.820) 29.095 4.393 ( 21.572 16.873 9.820) 29.095 4.701 ( -7.794 2.377 -2.124) 8.421 4.701 ( 7.794 2.377 2.124) 8.421 5.624 ( -3.737 0.547 -2.018) 4.282 5.624 ( 3.737 0.547 2.018) 4.282 6.051 ( 11.445 -4.570 -11.000) 16.519 6.051 ( -11.445 -4.570 11.000) 16.519 6.834 ( -15.570 -2.281 -4.653) 16.410 6.834 ( 15.570 -2.281 4.653) 16.410 7.876 ( 0.285 4.689 -4.496) 6.502 7.876 ( -0.285 4.689 4.496) 6.502 8.654 ( 2.674 1.085 -1.777) 3.389 8.654 ( -2.674 1.085 1.777) 3.389 8.795 ( -5.084 -4.029 -7.045) 9.577 8.795 ( 5.084 -4.029 7.045) 9.577 9.243 ( -6.755 -3.001 -0.706) 7.425 9.243 ( 6.755 -3.001 0.706) 7.425 10.946 ( -6.963 7.999 -7.031) 12.724 10.946 ( 6.963 7.999 7.031) 12.724 11.200 ( -4.869 10.216 -1.991) 11.491 11.200 ( 4.869 10.216 1.991) 11.491 11.594 ( -1.385 -1.598 -4.242) 4.740 11.594 ( 1.385 -1.598 4.242) 4.740 11.945 ( -12.451 6.885 -7.369) 16.023 11.945 ( 12.451 6.885 7.369) 16.023 12.337 ( 1.323 2.304 -10.356) 10.691 12.337 ( -1.323 2.304 10.356) 10.691 12.919 ( -6.111 2.112 -4.380) 7.810 12.919 ( 6.111 2.112 4.380) 7.810 13.125 ( 1.618 1.595 -5.924) 6.345 13.125 ( -1.618 1.595 5.924) 6.345 13.554 ( -12.405 -6.531 -0.101) 14.019 13.554 ( 12.405 -6.531 0.101) 14.019 14.448 ( 1.339 -7.328 -4.502) 8.704 14.448 ( -1.339 -7.328 4.502) 8.704 14.792 ( 9.562 -0.124 -7.025) 11.866 14.792 ( -9.562 -0.124 7.025) 11.866 15.484 ( -0.867 -4.228 -3.142) 5.339 15.484 ( 0.867 -4.228 3.142) 5.339 15.761 ( -13.779 0.468 -2.343) 13.984 15.761 ( 13.779 0.468 2.343) 13.984 16.413 ( -0.782 -1.053 -1.641) 2.101 16.413 ( 0.782 -1.053 1.641) 2.101 17.021 ( -4.913 -7.078 -6.709) 10.920 17.021 ( 4.913 -7.078 6.709) 10.920 17.255 ( 1.039 -2.436 -1.499) 3.043 17.255 ( -1.039 -2.436 1.499) 3.043 18.214 ( -1.264 16.076 -5.345) 16.988 18.214 ( 1.264 16.076 5.345) 16.988 19.658 ( 8.212 6.765 -8.952) 13.905 19.658 ( -8.212 6.765 8.952) 13.905 21.774 ( -2.044 -0.286 -6.317) 6.645 21.774 ( 2.044 -0.286 6.317) 6.645 22.049 ( -0.027 -0.887 -2.438) 2.595 22.049 ( 0.027 -0.887 2.438) 2.595 22.908 ( 2.212 -11.411 -7.601) 13.888 22.908 ( -2.212 -11.411 7.601) 13.888 ======================= Grid point 354 (169/172) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 23.430 0.000 12.083) 26.362 3.892 ( 10.083 0.000 9.030) 13.536 4.027 ( 15.787 0.000 -12.522) 20.150 4.176 ( 16.120 0.000 1.358) 16.177 4.856 ( 12.602 0.000 -2.974) 12.949 5.188 ( -7.289 -0.000 -6.432) 9.721 5.549 ( 2.725 0.000 5.569) 6.200 6.161 ( -9.330 -0.000 9.028) 12.983 6.258 ( -16.737 -0.000 2.687) 16.951 6.454 ( -14.928 -0.000 -10.172) 18.064 6.908 ( 6.828 0.000 -5.552) 8.800 7.186 ( -4.787 -0.000 5.609) 7.374 7.882 ( 1.684 0.000 4.157) 4.485 8.040 ( -3.856 -0.000 -7.461) 8.399 8.440 ( 4.577 0.000 3.389) 5.695 8.504 ( 11.428 0.000 -1.256) 11.497 8.764 ( 3.304 0.000 3.767) 5.011 8.871 ( 1.409 0.000 -6.644) 6.792 8.872 ( 1.052 0.000 -2.131) 2.377 9.215 ( -5.540 -0.000 -3.733) 6.680 10.724 ( 4.981 0.000 9.819) 11.010 10.963 ( 5.151 0.000 3.746) 6.369 11.477 ( 2.374 0.000 0.834) 2.516 11.820 ( 6.090 0.000 -1.730) 6.331 11.861 ( -5.109 -0.000 -5.791) 7.722 11.879 ( 10.513 0.000 -3.345) 11.033 12.093 ( -1.241 -0.000 6.180) 6.304 12.350 ( -15.754 -0.000 12.073) 19.848 12.402 ( 9.501 0.000 -3.831) 10.244 12.470 ( 5.010 0.000 -2.562) 5.628 12.668 ( 7.079 0.000 -5.814) 9.160 13.103 ( -11.843 -0.000 1.868) 11.990 13.151 ( 7.808 0.000 0.551) 7.827 13.384 ( 1.973 0.000 0.460) 2.026 13.530 ( -5.748 -0.000 -3.905) 6.949 13.826 ( 8.737 0.000 -5.209) 10.172 13.859 ( -11.457 -0.000 7.993) 13.969 14.361 ( -6.163 -0.000 -2.203) 6.545 14.844 ( 4.873 0.000 3.262) 5.864 15.090 ( -5.338 -0.000 3.920) 6.623 15.341 ( -4.971 -0.000 6.601) 8.264 15.342 ( -6.531 -0.000 -3.226) 7.284 15.489 ( -2.074 -0.000 -10.178) 10.387 15.635 ( -8.752 -0.000 3.701) 9.502 16.302 ( 1.445 0.000 -5.766) 5.944 16.313 ( 9.048 0.000 6.001) 10.857 16.459 ( 0.139 0.000 3.575) 3.578 16.897 ( -6.461 -0.000 -0.499) 6.480 17.033 ( -1.463 -0.000 0.268) 1.488 17.061 ( -4.015 -0.000 -3.892) 5.591 18.621 ( 13.716 0.000 11.459) 17.873 19.037 ( -0.231 -0.000 -10.868) 10.870 19.760 ( 31.269 0.000 -3.870) 31.508 20.983 ( -14.957 -0.000 17.371) 22.923 21.279 ( -0.362 -0.000 6.336) 6.347 21.368 ( -4.325 -0.000 -8.548) 9.580 21.875 ( -1.101 -0.000 -3.234) 3.416 21.953 ( -2.255 -0.000 0.438) 2.297 22.184 ( 6.662 0.000 -0.173) 6.664 22.749 ( -12.838 -0.000 -8.708) 15.513 ======================= Grid point 355 (170/172) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 16.985 3.630 9.408) 19.753 3.879 ( -2.472 5.767 2.983) 6.948 4.250 ( 19.863 -4.933 -5.329) 21.149 4.407 ( 6.919 -7.510 -2.604) 10.538 4.921 ( 5.284 3.475 2.112) 6.667 5.071 ( -10.148 0.977 -5.613) 11.638 5.633 ( 10.533 0.392 1.624) 10.664 5.936 ( -9.141 8.773 3.190) 13.065 6.172 ( -12.273 -2.613 4.904) 13.472 6.232 ( -11.190 4.956 -7.070) 14.134 6.920 ( 8.697 7.452 1.868) 11.605 7.098 ( -6.266 4.028 -1.351) 7.571 7.946 ( 2.822 -3.377 0.144) 4.403 8.020 ( -3.631 -2.438 -2.253) 4.919 8.501 ( 4.563 -0.031 5.929) 7.481 8.571 ( 2.589 0.424 -5.466) 6.063 8.780 ( 4.010 2.808 2.399) 5.451 8.859 ( -1.709 0.789 -2.314) 2.983 8.948 ( 6.486 -3.282 -0.499) 7.286 9.150 ( -8.216 -2.375 -3.023) 9.071 10.825 ( 6.951 -1.828 8.986) 11.507 10.995 ( -3.368 -2.457 -2.877) 5.065 11.515 ( 8.484 3.377 5.245) 10.531 11.737 ( -6.013 3.945 -7.471) 10.370 11.844 ( 5.905 7.576 -6.544) 11.623 11.946 ( 0.803 1.149 4.066) 4.301 12.029 ( 1.364 4.395 1.251) 4.769 12.227 ( -12.861 -2.787 6.884) 14.851 12.454 ( 7.827 4.179 -1.463) 8.993 12.518 ( 3.667 -0.149 -1.654) 4.025 12.818 ( 6.419 -3.996 -4.203) 8.651 12.953 ( -5.801 0.845 2.647) 6.432 13.227 ( 7.079 2.402 1.648) 7.655 13.366 ( 2.858 5.481 -0.762) 6.228 13.435 ( -5.767 1.206 -2.953) 6.590 13.631 ( -15.057 4.540 4.376) 16.324 14.023 ( 12.942 -3.836 -2.564) 13.740 14.310 ( -12.212 -4.431 0.918) 13.023 14.856 ( 11.330 6.121 0.793) 12.902 15.061 ( -6.099 0.924 -1.001) 6.249 15.216 ( -1.099 -0.066 2.765) 2.976 15.298 ( -7.406 3.247 -1.373) 8.202 15.542 ( 2.120 -8.466 0.554) 8.745 15.653 ( -5.929 -9.182 -0.705) 10.952 16.278 ( 5.039 2.171 -2.824) 6.171 16.391 ( -5.467 -2.319 1.294) 6.077 16.562 ( 10.365 -3.294 5.784) 12.318 16.821 ( -9.629 -2.319 -3.618) 10.544 17.034 ( 0.775 -2.453 -1.005) 2.762 17.073 ( -2.635 -4.168 0.187) 4.935 18.748 ( 10.284 3.956 10.464) 15.196 18.946 ( -3.950 5.649 -9.806) 11.986 19.998 ( 27.259 11.253 -4.193) 29.787 20.531 ( -19.288 20.007 6.192) 28.472 21.407 ( 2.777 -9.501 -3.146) 10.386 21.479 ( -4.975 -13.429 4.563) 15.031 21.891 ( 2.677 -1.703 0.453) 3.205 21.968 ( -3.501 -4.012 0.075) 5.325 22.327 ( 8.666 -4.772 2.582) 10.225 22.601 ( -12.390 -1.655 -7.282) 14.467 ======================= Grid point 356 (171/172) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( -2.695 6.022 -5.784) 8.774 3.715 ( 2.695 6.022 5.784) 8.774 4.538 ( -7.037 -6.622 -7.274) 12.095 4.538 ( 7.037 -6.622 7.274) 12.095 4.896 ( -4.559 6.596 -6.759) 10.487 4.896 ( 4.559 6.596 6.759) 10.487 5.720 ( -5.117 4.381 -1.991) 7.024 5.720 ( 5.117 4.381 1.991) 7.024 6.072 ( 7.218 3.629 -11.482) 14.039 6.072 ( -7.218 3.629 11.482) 14.039 6.905 ( -9.260 5.961 -8.542) 13.937 6.905 ( 9.260 5.961 8.542) 13.937 8.006 ( 1.719 0.700 -10.664) 10.824 8.006 ( -1.719 0.700 10.664) 10.824 8.574 ( -2.744 -2.797 -8.971) 9.789 8.574 ( 2.744 -2.797 8.971) 9.789 8.786 ( -4.900 2.452 -2.619) 6.073 8.786 ( 4.900 2.452 2.619) 6.073 9.106 ( -8.644 -4.111 -0.371) 9.579 9.106 ( 8.644 -4.111 0.371) 9.579 10.967 ( -7.691 -2.921 -7.668) 11.246 10.967 ( 7.691 -2.921 7.668) 11.246 11.552 ( -7.434 6.137 -8.341) 12.748 11.552 ( 7.434 6.137 8.341) 12.748 11.754 ( 7.927 9.655 -7.118) 14.378 11.754 ( -7.927 9.655 7.118) 14.378 12.120 ( -5.820 0.749 -6.506) 8.762 12.120 ( 5.820 0.749 6.506) 8.762 12.452 ( -1.577 4.487 -5.355) 7.162 12.452 ( 1.577 4.487 5.355) 7.162 12.935 ( -10.741 -1.853 -1.661) 11.026 12.935 ( 10.741 -1.853 1.661) 11.026 13.252 ( -6.321 4.298 -0.129) 7.645 13.252 ( 6.321 4.298 0.129) 7.645 13.421 ( -1.018 1.158 -3.196) 3.548 13.421 ( 1.018 1.158 3.196) 3.548 14.242 ( -9.138 -4.781 0.716) 10.338 14.242 ( 9.138 -4.781 -0.716) 10.338 14.886 ( -4.058 5.446 0.397) 6.803 14.886 ( 4.058 5.446 -0.397) 6.803 15.283 ( 0.752 -5.573 -5.975) 8.205 15.283 ( -0.752 -5.573 5.975) 8.205 15.716 ( -5.866 -5.025 -3.046) 8.303 15.716 ( 5.866 -5.025 3.046) 8.303 16.346 ( -1.456 -1.796 -1.067) 2.547 16.346 ( 1.456 -1.796 1.067) 2.547 16.765 ( -7.702 -5.540 -7.294) 11.968 16.765 ( 7.702 -5.540 7.294) 11.968 17.122 ( 0.349 -4.676 -0.808) 4.758 17.122 ( -0.349 -4.676 0.808) 4.758 18.728 ( -5.537 10.925 -7.137) 14.176 18.728 ( 5.537 10.925 7.137) 14.176 20.010 ( -12.036 14.670 1.814) 19.062 20.010 ( 12.036 14.670 -1.814) 19.062 21.626 ( 2.816 -8.866 -8.516) 12.612 21.626 ( -2.816 -8.866 8.516) 12.612 21.988 ( -4.599 -3.299 -0.832) 5.721 21.988 ( 4.599 -3.299 0.832) 5.721 22.539 ( -8.302 -7.519 -2.246) 11.424 22.539 ( 8.302 -7.519 2.246) 11.424 ======================= Grid point 367 (172/172) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( -9.837 -0.000 -6.793) 11.954 3.862 ( 9.837 0.000 6.793) 11.954 4.335 ( 5.421 0.000 -7.812) 9.509 4.335 ( -5.421 -0.000 7.812) 9.509 4.994 ( -3.998 -0.000 -4.226) 5.818 4.994 ( 3.998 0.000 4.226) 5.818 5.822 ( -18.801 -0.000 0.191) 18.802 5.822 ( 18.801 0.000 -0.191) 18.802 6.159 ( -6.174 -0.000 -9.335) 11.192 6.159 ( 6.174 0.000 9.335) 11.192 7.076 ( 6.867 0.000 -4.174) 8.036 7.076 ( -6.867 -0.000 4.174) 8.036 7.945 ( -2.306 -0.000 -7.132) 7.495 7.945 ( 2.306 0.000 7.132) 7.495 8.563 ( -3.395 -0.000 -5.084) 6.114 8.563 ( 3.395 0.000 5.084) 6.114 8.843 ( -2.684 -0.000 -1.424) 3.038 8.843 ( 2.684 0.000 1.424) 3.038 9.018 ( -9.440 -0.000 -3.540) 10.082 9.018 ( 9.440 0.000 3.540) 10.082 10.903 ( -6.922 -0.000 -6.741) 9.663 10.903 ( 6.922 0.000 6.741) 9.663 11.663 ( -9.519 -0.000 -7.721) 12.256 11.663 ( 9.519 0.000 7.721) 12.256 11.979 ( -4.234 -0.000 -2.616) 4.977 11.979 ( 4.234 0.000 2.616) 4.977 12.079 ( 3.624 0.000 -4.922) 6.112 12.079 ( -3.624 -0.000 4.922) 6.112 12.537 ( -0.525 -0.000 -0.825) 0.977 12.537 ( 0.525 0.000 0.825) 0.977 12.863 ( 9.329 0.000 -5.025) 10.596 12.863 ( -9.329 -0.000 5.025) 10.596 13.345 ( -7.589 -0.000 -4.274) 8.710 13.345 ( 7.589 0.000 4.274) 8.710 13.526 ( -10.689 -0.000 1.347) 10.773 13.526 ( 10.689 0.000 -1.347) 10.773 14.135 ( -12.392 -0.000 2.218) 12.589 14.135 ( 12.392 0.000 -2.218) 12.589 14.996 ( 5.033 0.000 -2.891) 5.804 14.996 ( -5.033 -0.000 2.891) 5.804 15.291 ( 1.777 0.000 -5.758) 6.026 15.291 ( -1.777 -0.000 5.758) 6.026 15.461 ( 4.828 0.000 -5.369) 7.220 15.461 ( -4.828 -0.000 5.369) 7.220 16.335 ( 2.733 0.000 -3.588) 4.511 16.335 ( -2.733 -0.000 3.588) 4.511 16.673 ( -11.275 -0.000 -5.010) 12.338 16.673 ( 11.275 0.000 5.010) 12.338 17.015 ( 0.032 0.000 -1.111) 1.111 17.015 ( -0.032 -0.000 1.111) 1.111 18.908 ( -7.704 -0.000 -10.971) 13.406 18.908 ( 7.704 0.000 10.971) 13.406 20.454 ( -29.530 -0.000 6.065) 30.146 20.454 ( 29.530 0.000 -6.065) 30.146 21.303 ( -0.552 -0.000 -6.995) 7.016 21.303 ( 0.552 0.000 6.995) 7.016 21.900 ( -2.221 -0.000 -0.125) 2.224 21.900 ( 2.221 0.000 0.125) 2.224 22.431 ( -12.225 -0.000 -6.797) 13.988 22.431 ( 12.225 0.000 6.797) 13.988 =================== 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 3/36000 10.0 741.965 781.736 796.676 0.000 244.928 0.000 3/36000 20.0 523.124 423.587 365.732 -0.000 80.785 0.000 3/36000 30.0 323.552 241.862 219.101 -0.000 29.720 0.000 3/36000 40.0 221.322 156.718 140.731 -0.000 13.865 0.000 3/36000 50.0 159.301 108.085 95.992 -0.000 7.224 0.000 3/36000 60.0 118.028 77.500 68.512 -0.000 3.983 0.000 3/36000 70.0 89.584 57.319 50.675 -0.000 2.242 0.000 3/36000 80.0 69.621 43.625 38.667 -0.000 1.262 0.000 3/36000 90.0 55.384 34.118 30.354 -0.000 0.695 0.000 3/36000 100.0 45.052 27.369 24.451 -0.000 0.362 0.000 3/36000 110.0 37.412 22.468 20.158 -0.000 0.162 0.000 3/36000 120.0 31.653 18.830 16.965 -0.000 0.039 0.000 3/36000 130.0 27.231 16.071 14.536 -0.000 -0.037 0.000 3/36000 140.0 23.773 13.937 12.653 -0.000 -0.085 0.000 3/36000 150.0 21.024 12.256 11.166 -0.000 -0.115 0.000 3/36000 160.0 18.804 10.909 9.970 -0.000 -0.135 0.000 3/36000 170.0 16.986 9.813 8.995 -0.000 -0.148 0.000 3/36000 180.0 15.476 8.908 8.189 -0.000 -0.156 0.000 3/36000 190.0 14.208 8.152 7.513 -0.000 -0.161 0.000 3/36000 200.0 13.131 7.513 6.940 -0.000 -0.164 0.000 3/36000 210.0 12.206 6.967 6.449 -0.000 -0.166 0.000 3/36000 220.0 11.405 6.496 6.025 -0.000 -0.166 0.000 3/36000 230.0 10.706 6.086 5.655 -0.000 -0.166 0.000 3/36000 240.0 10.090 5.726 5.329 -0.000 -0.165 0.000 3/36000 250.0 9.545 5.408 5.041 -0.000 -0.164 0.000 3/36000 260.0 9.058 5.125 4.784 -0.000 -0.162 0.000 3/36000 270.0 8.621 4.872 4.553 -0.000 -0.161 0.000 3/36000 280.0 8.226 4.643 4.345 -0.000 -0.159 0.000 3/36000 290.0 7.868 4.437 4.156 -0.000 -0.157 0.000 3/36000 300.0 7.542 4.249 3.984 -0.000 -0.155 0.000 3/36000 310.0 7.243 4.077 3.827 -0.000 -0.153 0.000 3/36000 320.0 6.969 3.920 3.682 -0.000 -0.150 0.000 3/36000 330.0 6.716 3.775 3.549 -0.000 -0.148 0.000 3/36000 340.0 6.481 3.641 3.426 -0.000 -0.146 0.000 3/36000 350.0 6.264 3.516 3.311 -0.000 -0.144 0.000 3/36000 360.0 6.061 3.401 3.204 -0.000 -0.142 0.000 3/36000 370.0 5.873 3.293 3.105 -0.000 -0.140 0.000 3/36000 380.0 5.696 3.193 3.012 -0.000 -0.137 0.000 3/36000 390.0 5.530 3.098 2.924 -0.000 -0.135 0.000 3/36000 400.0 5.374 3.010 2.842 -0.000 -0.133 0.000 3/36000 410.0 5.227 2.926 2.765 -0.000 -0.131 0.000 3/36000 420.0 5.088 2.848 2.692 -0.000 -0.129 0.000 3/36000 430.0 4.957 2.773 2.623 -0.000 -0.127 0.000 3/36000 440.0 4.833 2.703 2.557 -0.000 -0.125 0.000 3/36000 450.0 4.715 2.637 2.495 -0.000 -0.123 0.000 3/36000 460.0 4.603 2.573 2.436 -0.000 -0.122 0.000 3/36000 470.0 4.497 2.513 2.380 -0.000 -0.120 0.000 3/36000 480.0 4.395 2.456 2.326 -0.000 -0.118 0.000 3/36000 490.0 4.298 2.401 2.275 -0.000 -0.116 0.000 3/36000 500.0 4.206 2.349 2.226 -0.000 -0.114 0.000 3/36000 510.0 4.117 2.299 2.180 -0.000 -0.113 0.000 3/36000 520.0 4.033 2.252 2.135 -0.000 -0.111 0.000 3/36000 530.0 3.952 2.206 2.092 -0.000 -0.110 0.000 3/36000 540.0 3.874 2.162 2.051 -0.000 -0.108 0.000 3/36000 550.0 3.799 2.120 2.012 -0.000 -0.107 0.000 3/36000 560.0 3.727 2.080 1.974 -0.000 -0.105 0.000 3/36000 570.0 3.658 2.041 1.938 -0.000 -0.104 0.000 3/36000 580.0 3.592 2.004 1.903 -0.000 -0.102 0.000 3/36000 590.0 3.528 1.968 1.869 -0.000 -0.101 0.000 3/36000 600.0 3.466 1.933 1.836 -0.000 -0.100 0.000 3/36000 610.0 3.407 1.900 1.805 -0.000 -0.098 0.000 3/36000 620.0 3.350 1.868 1.775 -0.000 -0.097 0.000 3/36000 630.0 3.294 1.837 1.745 -0.000 -0.096 0.000 3/36000 640.0 3.240 1.807 1.717 -0.000 -0.094 0.000 3/36000 650.0 3.189 1.778 1.690 -0.000 -0.093 0.000 3/36000 660.0 3.138 1.749 1.663 -0.000 -0.092 0.000 3/36000 670.0 3.090 1.722 1.637 -0.000 -0.091 0.000 3/36000 680.0 3.043 1.696 1.612 -0.000 -0.090 0.000 3/36000 690.0 2.997 1.670 1.588 -0.000 -0.089 0.000 3/36000 700.0 2.953 1.645 1.565 -0.000 -0.088 0.000 3/36000 710.0 2.910 1.621 1.542 -0.000 -0.087 0.000 3/36000 720.0 2.868 1.598 1.520 -0.000 -0.086 0.000 3/36000 730.0 2.828 1.575 1.499 -0.000 -0.085 0.000 3/36000 740.0 2.789 1.553 1.478 -0.000 -0.084 0.000 3/36000 750.0 2.750 1.532 1.458 -0.000 -0.083 0.000 3/36000 760.0 2.713 1.511 1.438 -0.000 -0.082 0.000 3/36000 770.0 2.677 1.491 1.419 -0.000 -0.081 0.000 3/36000 780.0 2.642 1.471 1.400 -0.000 -0.080 0.000 3/36000 790.0 2.608 1.452 1.382 -0.000 -0.079 0.000 3/36000 800.0 2.574 1.434 1.365 -0.000 -0.078 0.000 3/36000 810.0 2.542 1.415 1.347 -0.000 -0.077 0.000 3/36000 820.0 2.510 1.398 1.331 -0.000 -0.076 0.000 3/36000 830.0 2.479 1.380 1.314 -0.000 -0.076 0.000 3/36000 840.0 2.449 1.364 1.298 -0.000 -0.075 0.000 3/36000 850.0 2.419 1.347 1.283 -0.000 -0.074 0.000 3/36000 860.0 2.391 1.331 1.268 -0.000 -0.073 0.000 3/36000 870.0 2.363 1.315 1.253 -0.000 -0.072 0.000 3/36000 880.0 2.335 1.300 1.238 -0.000 -0.072 0.000 3/36000 890.0 2.309 1.285 1.224 -0.000 -0.071 0.000 3/36000 900.0 2.283 1.271 1.210 -0.000 -0.070 0.000 3/36000 910.0 2.257 1.256 1.197 -0.000 -0.070 0.000 3/36000 920.0 2.232 1.243 1.184 -0.000 -0.069 0.000 3/36000 930.0 2.208 1.229 1.171 -0.000 -0.068 0.000 3/36000 940.0 2.184 1.216 1.158 -0.000 -0.068 0.000 3/36000 950.0 2.161 1.203 1.146 -0.000 -0.067 0.000 3/36000 960.0 2.138 1.190 1.134 -0.000 -0.066 0.000 3/36000 970.0 2.115 1.177 1.122 -0.000 -0.066 0.000 3/36000 980.0 2.093 1.165 1.110 -0.000 -0.065 0.000 3/36000 990.0 2.072 1.153 1.099 -0.000 -0.064 0.000 3/36000 1000.0 2.051 1.141 1.088 -0.000 -0.064 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:15:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|