----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:57:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.326693570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.319050870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.113174730000000 Atomic positions (fractional): *1 Er 0.93895307344180 0.25000000000000 0.01544389362114 167.259 2 Er 0.43895307344180 0.25000000000000 0.48455610637886 167.259 3 Er 0.56104692655820 0.75000000000000 0.51544389362114 167.259 4 Er 0.06104692655820 0.75000000000000 0.98455610637886 167.259 *5 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 7 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 *9 O 0.47362399168578 0.75000000000000 0.09319676790957 15.999 *10 O 0.20239314190099 0.04870499629889 0.20126551311473 15.999 11 O 0.20239314190099 0.45129500370111 0.20126551311473 15.999 12 O 0.70239314190099 0.45129500370111 0.29873448688527 15.999 13 O 0.70239314190099 0.04870499629889 0.29873448688527 15.999 14 O 0.97362399168578 0.75000000000000 0.40680323209043 15.999 15 O 0.02637600831422 0.25000000000000 0.59319676790957 15.999 16 O 0.29760685809901 0.54870499629889 0.70126551311473 15.999 17 O 0.29760685809901 0.95129500370111 0.70126551311473 15.999 18 O 0.79760685809901 0.54870499629889 0.79873448688527 15.999 19 O 0.79760685809901 0.95129500370111 0.79873448688527 15.999 20 O 0.52637600831422 0.25000000000000 0.90680323209043 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.326693570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.319050870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.113174730000000 Atomic positions (fractional): *1 Er 0.93895307344180 0.25000000000000 0.01544389362114 167.259 > 1 2 Er 0.43895307344180 0.25000000000000 0.48455610637886 167.259 > 2 3 Er 0.56104692655820 0.75000000000000 0.51544389362114 167.259 > 3 4 Er 0.06104692655820 0.75000000000000 0.98455610637886 167.259 > 4 *5 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 5 6 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 6 7 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 7 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 8 *9 O 0.47362399168578 0.75000000000000 0.09319676790957 15.999 > 9 *10 O 0.20239314190099 0.04870499629889 0.20126551311473 15.999 > 10 11 O 0.20239314190099 0.45129500370111 0.20126551311473 15.999 > 11 12 O 0.70239314190099 0.45129500370111 0.29873448688527 15.999 > 12 13 O 0.70239314190099 0.04870499629889 0.29873448688527 15.999 > 13 14 O 0.97362399168578 0.75000000000000 0.40680323209043 15.999 > 14 15 O 0.02637600831422 0.25000000000000 0.59319676790957 15.999 > 15 16 O 0.29760685809901 0.54870499629889 0.70126551311473 15.999 > 16 17 O 0.29760685809901 0.95129500370111 0.70126551311473 15.999 > 17 18 O 0.79760685809901 0.54870499629889 0.79873448688527 15.999 > 18 19 O 0.79760685809901 0.95129500370111 0.79873448688527 15.999 > 19 20 O 0.52637600831422 0.25000000000000 0.90680323209043 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.653387140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.319050870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.226349460000000 Atomic positions (fractional): *1 Er 0.46947653672090 0.25000000000000 0.00772194681057 167.259 > 1 2 Er 0.96947653672090 0.25000000000000 0.00772194681057 167.259 > 1 3 Er 0.46947653672090 0.25000000000000 0.50772194681057 167.259 > 1 4 Er 0.96947653672090 0.25000000000000 0.50772194681057 167.259 > 1 5 Er 0.21947653672090 0.25000000000000 0.24227805318943 167.259 > 2 6 Er 0.71947653672090 0.25000000000000 0.24227805318943 167.259 > 2 7 Er 0.21947653672090 0.25000000000000 0.74227805318943 167.259 > 2 8 Er 0.71947653672090 0.25000000000000 0.74227805318943 167.259 > 2 9 Er 0.28052346327910 0.75000000000000 0.25772194681057 167.259 > 3 10 Er 0.78052346327910 0.75000000000000 0.25772194681057 167.259 > 3 11 Er 0.28052346327910 0.75000000000000 0.75772194681057 167.259 > 3 12 Er 0.78052346327910 0.75000000000000 0.75772194681057 167.259 > 3 13 Er 0.03052346327910 0.75000000000000 0.49227805318943 167.259 > 4 14 Er 0.53052346327910 0.75000000000000 0.49227805318943 167.259 > 4 15 Er 0.03052346327910 0.75000000000000 0.99227805318943 167.259 > 4 16 Er 0.53052346327910 0.75000000000000 0.99227805318943 167.259 > 4 *17 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 5 18 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 5 19 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 5 20 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 5 21 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 6 22 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 6 23 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 6 24 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 6 25 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 7 26 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 7 27 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 7 28 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 7 29 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 8 30 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 8 31 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 8 32 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 8 *33 O 0.23681199584289 0.75000000000000 0.04659838395478 15.999 > 9 34 O 0.73681199584289 0.75000000000000 0.04659838395478 15.999 > 9 35 O 0.23681199584289 0.75000000000000 0.54659838395478 15.999 > 9 36 O 0.73681199584289 0.75000000000000 0.54659838395478 15.999 > 9 *37 O 0.10119657095050 0.04870499629889 0.10063275655736 15.999 > 10 38 O 0.60119657095050 0.04870499629889 0.10063275655736 15.999 > 10 39 O 0.10119657095050 0.04870499629889 0.60063275655736 15.999 > 10 40 O 0.60119657095050 0.04870499629889 0.60063275655736 15.999 > 10 41 O 0.10119657095050 0.45129500370111 0.10063275655736 15.999 > 11 42 O 0.60119657095050 0.45129500370111 0.10063275655736 15.999 > 11 43 O 0.10119657095050 0.45129500370111 0.60063275655736 15.999 > 11 44 O 0.60119657095050 0.45129500370111 0.60063275655736 15.999 > 11 45 O 0.35119657095050 0.45129500370111 0.14936724344264 15.999 > 12 46 O 0.85119657095050 0.45129500370111 0.14936724344264 15.999 > 12 47 O 0.35119657095050 0.45129500370111 0.64936724344264 15.999 > 12 48 O 0.85119657095050 0.45129500370111 0.64936724344264 15.999 > 12 49 O 0.35119657095050 0.04870499629889 0.14936724344264 15.999 > 13 50 O 0.85119657095050 0.04870499629889 0.14936724344264 15.999 > 13 51 O 0.35119657095050 0.04870499629889 0.64936724344264 15.999 > 13 52 O 0.85119657095050 0.04870499629889 0.64936724344264 15.999 > 13 53 O 0.48681199584289 0.75000000000000 0.20340161604522 15.999 > 14 54 O 0.98681199584289 0.75000000000000 0.20340161604522 15.999 > 14 55 O 0.48681199584289 0.75000000000000 0.70340161604522 15.999 > 14 56 O 0.98681199584289 0.75000000000000 0.70340161604522 15.999 > 14 57 O 0.01318800415711 0.25000000000000 0.29659838395478 15.999 > 15 58 O 0.51318800415711 0.25000000000000 0.29659838395478 15.999 > 15 59 O 0.01318800415711 0.25000000000000 0.79659838395478 15.999 > 15 60 O 0.51318800415711 0.25000000000000 0.79659838395478 15.999 > 15 61 O 0.14880342904950 0.54870499629889 0.35063275655736 15.999 > 16 62 O 0.64880342904950 0.54870499629889 0.35063275655736 15.999 > 16 63 O 0.14880342904950 0.54870499629889 0.85063275655736 15.999 > 16 64 O 0.64880342904950 0.54870499629889 0.85063275655736 15.999 > 16 65 O 0.14880342904950 0.95129500370111 0.35063275655736 15.999 > 17 66 O 0.64880342904950 0.95129500370111 0.35063275655736 15.999 > 17 67 O 0.14880342904950 0.95129500370111 0.85063275655736 15.999 > 17 68 O 0.64880342904950 0.95129500370111 0.85063275655736 15.999 > 17 69 O 0.39880342904950 0.54870499629889 0.39936724344264 15.999 > 18 70 O 0.89880342904950 0.54870499629889 0.39936724344264 15.999 > 18 71 O 0.39880342904950 0.54870499629889 0.89936724344264 15.999 > 18 72 O 0.89880342904950 0.54870499629889 0.89936724344264 15.999 > 18 73 O 0.39880342904950 0.95129500370111 0.39936724344264 15.999 > 19 74 O 0.89880342904950 0.95129500370111 0.39936724344264 15.999 > 19 75 O 0.39880342904950 0.95129500370111 0.89936724344264 15.999 > 19 76 O 0.89880342904950 0.95129500370111 0.89936724344264 15.999 > 19 77 O 0.26318800415711 0.25000000000000 0.45340161604522 15.999 > 20 78 O 0.76318800415711 0.25000000000000 0.45340161604522 15.999 > 20 79 O 0.26318800415711 0.25000000000000 0.95340161604522 15.999 > 20 80 O 0.76318800415711 0.25000000000000 0.95340161604522 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0861988 0.0000000 0.0000000 0.0000000 3.9875850 0.0000000 0.0000000 0.0000000 4.1473809 -------------------------- Born effective charges -------------------------- 1 Er 3.8481013 0.0000000 -0.0270216 0.0000000 3.6457792 0.0000000 0.1817277 0.0000000 3.9874133 2 Er 3.8481013 0.0000000 0.0270216 0.0000000 3.6457792 0.0000000 -0.1817277 0.0000000 3.9874133 3 Er 3.8481013 0.0000000 0.0270216 0.0000000 3.6457792 0.0000000 -0.1817277 0.0000000 3.9874133 4 Er 3.8481013 0.0000000 -0.0270216 0.0000000 3.6457792 0.0000000 0.1817277 0.0000000 3.9874133 5 Al 2.9694368 -0.0743334 -0.2063126 0.0034824 2.9374848 -0.1651603 -0.0261895 0.0361393 2.9135231 6 Al 2.9694368 0.0743334 -0.2063126 -0.0034824 2.9374848 0.1651603 -0.0261895 -0.0361393 2.9135231 7 Al 2.9694368 -0.0743334 0.2063126 0.0034824 2.9374848 0.1651603 0.0261895 -0.0361393 2.9135231 8 Al 2.9694368 0.0743334 0.2063126 -0.0034824 2.9374848 -0.1651603 0.0261895 0.0361393 2.9135231 9 O -2.1252199 0.0000000 -0.2608156 0.0000000 -2.2646931 0.0000000 -0.3594480 0.0000000 -2.4044208 10 O -2.3461590 0.0698556 0.0356574 0.0880431 -2.1592854 -0.1272425 0.0047206 -0.1651197 -2.2482578 11 O -2.3461590 -0.0698556 0.0356574 -0.0880431 -2.1592854 0.1272425 0.0047206 0.1651197 -2.2482578 12 O -2.3461590 -0.0698556 -0.0356574 -0.0880431 -2.1592854 -0.1272425 -0.0047206 -0.1651197 -2.2482578 13 O -2.3461590 0.0698556 -0.0356574 0.0880431 -2.1592854 0.1272425 -0.0047206 0.1651197 -2.2482578 14 O -2.1252199 0.0000000 0.2608156 0.0000000 -2.2646931 0.0000000 0.3594480 0.0000000 -2.4044208 15 O -2.1252199 0.0000000 0.2608156 0.0000000 -2.2646931 0.0000000 0.3594480 0.0000000 -2.4044208 16 O -2.3461590 -0.0698556 -0.0356574 -0.0880431 -2.1592854 -0.1272425 -0.0047206 -0.1651197 -2.2482578 17 O -2.3461590 0.0698556 -0.0356574 0.0880431 -2.1592854 0.1272425 -0.0047206 0.1651197 -2.2482578 18 O -2.3461590 -0.0698556 0.0356574 -0.0880431 -2.1592854 0.1272425 0.0047206 0.1651197 -2.2482578 19 O -2.3461590 0.0698556 0.0356574 0.0880431 -2.1592854 -0.1272425 0.0047206 -0.1651197 -2.2482578 20 O -2.1252199 0.0000000 -0.2608156 0.0000000 -2.2646931 0.0000000 -0.3594480 0.0000000 -2.4044208 ---------------------------------------------------------------------------- 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: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.767 Solver_block: 200 / 320 - Time: 0.754 Solver_block: 300 / 320 - Time: 0.753 Solver_block: 320 / 320 - Time: 0.211 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.501 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:57:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:57:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.326693570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.319050870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.113174730000000 Atomic positions (fractional): 1 Er 0.93895307344180 0.25000000000000 0.01544389362114 167.259 2 Er 0.43895307344180 0.25000000000000 0.48455610637886 167.259 3 Er 0.56104692655820 0.75000000000000 0.51544389362114 167.259 4 Er 0.06104692655820 0.75000000000000 0.98455610637886 167.259 5 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 7 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 9 O 0.47362399168578 0.75000000000000 0.09319676790957 15.999 10 O 0.20239314190099 0.04870499629889 0.20126551311473 15.999 11 O 0.20239314190099 0.45129500370111 0.20126551311473 15.999 12 O 0.70239314190099 0.45129500370111 0.29873448688527 15.999 13 O 0.70239314190099 0.04870499629889 0.29873448688527 15.999 14 O 0.97362399168578 0.75000000000000 0.40680323209043 15.999 15 O 0.02637600831422 0.25000000000000 0.59319676790957 15.999 16 O 0.29760685809901 0.54870499629889 0.70126551311473 15.999 17 O 0.29760685809901 0.95129500370111 0.70126551311473 15.999 18 O 0.79760685809901 0.54870499629889 0.79873448688527 15.999 19 O 0.79760685809901 0.95129500370111 0.79873448688527 15.999 20 O 0.52637600831422 0.25000000000000 0.90680323209043 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.653387140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.319050870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.226349460000000 Atomic positions (fractional): 1 Er 0.46947653672090 0.25000000000000 0.00772194681057 167.259 > 1 2 Er 0.96947653672090 0.25000000000000 0.00772194681057 167.259 > 1 3 Er 0.46947653672090 0.25000000000000 0.50772194681057 167.259 > 1 4 Er 0.96947653672090 0.25000000000000 0.50772194681057 167.259 > 1 5 Er 0.21947653672090 0.25000000000000 0.24227805318943 167.259 > 5 6 Er 0.71947653672090 0.25000000000000 0.24227805318943 167.259 > 5 7 Er 0.21947653672090 0.25000000000000 0.74227805318943 167.259 > 5 8 Er 0.71947653672090 0.25000000000000 0.74227805318943 167.259 > 5 9 Er 0.28052346327910 0.75000000000000 0.25772194681057 167.259 > 9 10 Er 0.78052346327910 0.75000000000000 0.25772194681057 167.259 > 9 11 Er 0.28052346327910 0.75000000000000 0.75772194681057 167.259 > 9 12 Er 0.78052346327910 0.75000000000000 0.75772194681057 167.259 > 9 13 Er 0.03052346327910 0.75000000000000 0.49227805318943 167.259 > 13 14 Er 0.53052346327910 0.75000000000000 0.49227805318943 167.259 > 13 15 Er 0.03052346327910 0.75000000000000 0.99227805318943 167.259 > 13 16 Er 0.53052346327910 0.75000000000000 0.99227805318943 167.259 > 13 17 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 17 18 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 17 19 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 17 20 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 17 21 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 21 22 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 21 23 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 21 24 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 21 25 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 25 26 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 25 27 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 25 28 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 25 29 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 29 30 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 29 31 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 29 32 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 29 33 O 0.23681199584289 0.75000000000000 0.04659838395478 15.999 > 33 34 O 0.73681199584289 0.75000000000000 0.04659838395478 15.999 > 33 35 O 0.23681199584289 0.75000000000000 0.54659838395478 15.999 > 33 36 O 0.73681199584289 0.75000000000000 0.54659838395478 15.999 > 33 37 O 0.10119657095050 0.04870499629889 0.10063275655736 15.999 > 37 38 O 0.60119657095050 0.04870499629889 0.10063275655736 15.999 > 37 39 O 0.10119657095050 0.04870499629889 0.60063275655736 15.999 > 37 40 O 0.60119657095050 0.04870499629889 0.60063275655736 15.999 > 37 41 O 0.10119657095050 0.45129500370111 0.10063275655736 15.999 > 41 42 O 0.60119657095050 0.45129500370111 0.10063275655736 15.999 > 41 43 O 0.10119657095050 0.45129500370111 0.60063275655736 15.999 > 41 44 O 0.60119657095050 0.45129500370111 0.60063275655736 15.999 > 41 45 O 0.35119657095050 0.45129500370111 0.14936724344264 15.999 > 45 46 O 0.85119657095050 0.45129500370111 0.14936724344264 15.999 > 45 47 O 0.35119657095050 0.45129500370111 0.64936724344264 15.999 > 45 48 O 0.85119657095050 0.45129500370111 0.64936724344264 15.999 > 45 49 O 0.35119657095050 0.04870499629889 0.14936724344264 15.999 > 49 50 O 0.85119657095050 0.04870499629889 0.14936724344264 15.999 > 49 51 O 0.35119657095050 0.04870499629889 0.64936724344264 15.999 > 49 52 O 0.85119657095050 0.04870499629889 0.64936724344264 15.999 > 49 53 O 0.48681199584289 0.75000000000000 0.20340161604522 15.999 > 53 54 O 0.98681199584289 0.75000000000000 0.20340161604522 15.999 > 53 55 O 0.48681199584289 0.75000000000000 0.70340161604522 15.999 > 53 56 O 0.98681199584289 0.75000000000000 0.70340161604522 15.999 > 53 57 O 0.01318800415711 0.25000000000000 0.29659838395478 15.999 > 57 58 O 0.51318800415711 0.25000000000000 0.29659838395478 15.999 > 57 59 O 0.01318800415711 0.25000000000000 0.79659838395478 15.999 > 57 60 O 0.51318800415711 0.25000000000000 0.79659838395478 15.999 > 57 61 O 0.14880342904950 0.54870499629889 0.35063275655736 15.999 > 61 62 O 0.64880342904950 0.54870499629889 0.35063275655736 15.999 > 61 63 O 0.14880342904950 0.54870499629889 0.85063275655736 15.999 > 61 64 O 0.64880342904950 0.54870499629889 0.85063275655736 15.999 > 61 65 O 0.14880342904950 0.95129500370111 0.35063275655736 15.999 > 65 66 O 0.64880342904950 0.95129500370111 0.35063275655736 15.999 > 65 67 O 0.14880342904950 0.95129500370111 0.85063275655736 15.999 > 65 68 O 0.64880342904950 0.95129500370111 0.85063275655736 15.999 > 65 69 O 0.39880342904950 0.54870499629889 0.39936724344264 15.999 > 69 70 O 0.89880342904950 0.54870499629889 0.39936724344264 15.999 > 69 71 O 0.39880342904950 0.54870499629889 0.89936724344264 15.999 > 69 72 O 0.89880342904950 0.54870499629889 0.89936724344264 15.999 > 69 73 O 0.39880342904950 0.95129500370111 0.39936724344264 15.999 > 73 74 O 0.89880342904950 0.95129500370111 0.39936724344264 15.999 > 73 75 O 0.39880342904950 0.95129500370111 0.89936724344264 15.999 > 73 76 O 0.89880342904950 0.95129500370111 0.89936724344264 15.999 > 73 77 O 0.26318800415711 0.25000000000000 0.45340161604522 15.999 > 77 78 O 0.76318800415711 0.25000000000000 0.45340161604522 15.999 > 77 79 O 0.26318800415711 0.25000000000000 0.95340161604522 15.999 > 77 80 O 0.76318800415711 0.25000000000000 0.95340161604522 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0861988 0.0000000 0.0000000 0.0000000 3.9875850 0.0000000 0.0000000 0.0000000 4.1473809 -------------------------- Born effective charges -------------------------- 1 Er 3.8481013 0.0000000 -0.0270216 0.0000000 3.6457792 0.0000000 0.1817277 0.0000000 3.9874133 2 Er 3.8481013 0.0000000 0.0270216 0.0000000 3.6457792 0.0000000 -0.1817277 0.0000000 3.9874133 3 Er 3.8481013 0.0000000 0.0270216 0.0000000 3.6457792 0.0000000 -0.1817277 0.0000000 3.9874133 4 Er 3.8481013 0.0000000 -0.0270216 0.0000000 3.6457792 0.0000000 0.1817277 0.0000000 3.9874133 5 Al 2.9694368 -0.0743334 -0.2063126 0.0034824 2.9374848 -0.1651603 -0.0261895 0.0361393 2.9135231 6 Al 2.9694368 0.0743334 -0.2063126 -0.0034824 2.9374848 0.1651603 -0.0261895 -0.0361393 2.9135231 7 Al 2.9694368 -0.0743334 0.2063126 0.0034824 2.9374848 0.1651603 0.0261895 -0.0361393 2.9135231 8 Al 2.9694368 0.0743334 0.2063126 -0.0034824 2.9374848 -0.1651603 0.0261895 0.0361393 2.9135231 9 O -2.1252199 0.0000000 -0.2608156 0.0000000 -2.2646931 0.0000000 -0.3594480 0.0000000 -2.4044208 10 O -2.3461590 0.0698556 0.0356574 0.0880431 -2.1592854 -0.1272425 0.0047206 -0.1651197 -2.2482578 11 O -2.3461590 -0.0698556 0.0356574 -0.0880431 -2.1592854 0.1272425 0.0047206 0.1651197 -2.2482578 12 O -2.3461590 -0.0698556 -0.0356574 -0.0880431 -2.1592854 -0.1272425 -0.0047206 -0.1651197 -2.2482578 13 O -2.3461590 0.0698556 -0.0356574 0.0880431 -2.1592854 0.1272425 -0.0047206 0.1651197 -2.2482578 14 O -2.1252199 0.0000000 0.2608156 0.0000000 -2.2646931 0.0000000 0.3594480 0.0000000 -2.4044208 15 O -2.1252199 0.0000000 0.2608156 0.0000000 -2.2646931 0.0000000 0.3594480 0.0000000 -2.4044208 16 O -2.3461590 -0.0698556 -0.0356574 -0.0880431 -2.1592854 -0.1272425 -0.0047206 -0.1651197 -2.2482578 17 O -2.3461590 0.0698556 -0.0356574 0.0880431 -2.1592854 0.1272425 -0.0047206 0.1651197 -2.2482578 18 O -2.3461590 -0.0698556 0.0356574 -0.0880431 -2.1592854 0.1272425 0.0047206 0.1651197 -2.2482578 19 O -2.3461590 0.0698556 0.0356574 0.0880431 -2.1592854 -0.1272425 0.0047206 -0.1651197 -2.2482578 20 O -2.1252199 0.0000000 -0.2608156 0.0000000 -2.2646931 0.0000000 -0.3594480 0.0000000 -2.4044208 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zx) -0.00000005 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:57:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:57:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.326693570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.319050870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.113174730000000 Atomic positions (fractional): 1 Er 0.93895307344180 0.25000000000000 0.01544389362114 167.259 2 Er 0.43895307344180 0.25000000000000 0.48455610637886 167.259 3 Er 0.56104692655820 0.75000000000000 0.51544389362114 167.259 4 Er 0.06104692655820 0.75000000000000 0.98455610637886 167.259 5 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 7 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 9 O 0.47362399168578 0.75000000000000 0.09319676790957 15.999 10 O 0.20239314190099 0.04870499629889 0.20126551311473 15.999 11 O 0.20239314190099 0.45129500370111 0.20126551311473 15.999 12 O 0.70239314190099 0.45129500370111 0.29873448688527 15.999 13 O 0.70239314190099 0.04870499629889 0.29873448688527 15.999 14 O 0.97362399168578 0.75000000000000 0.40680323209043 15.999 15 O 0.02637600831422 0.25000000000000 0.59319676790957 15.999 16 O 0.29760685809901 0.54870499629889 0.70126551311473 15.999 17 O 0.29760685809901 0.95129500370111 0.70126551311473 15.999 18 O 0.79760685809901 0.54870499629889 0.79873448688527 15.999 19 O 0.79760685809901 0.95129500370111 0.79873448688527 15.999 20 O 0.52637600831422 0.25000000000000 0.90680323209043 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.653387140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.319050870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.226349460000000 Atomic positions (fractional): 1 Er 0.46947653672090 0.25000000000000 0.00772194681057 167.259 > 1 2 Er 0.96947653672090 0.25000000000000 0.00772194681057 167.259 > 1 3 Er 0.46947653672090 0.25000000000000 0.50772194681057 167.259 > 1 4 Er 0.96947653672090 0.25000000000000 0.50772194681057 167.259 > 1 5 Er 0.21947653672090 0.25000000000000 0.24227805318943 167.259 > 5 6 Er 0.71947653672090 0.25000000000000 0.24227805318943 167.259 > 5 7 Er 0.21947653672090 0.25000000000000 0.74227805318943 167.259 > 5 8 Er 0.71947653672090 0.25000000000000 0.74227805318943 167.259 > 5 9 Er 0.28052346327910 0.75000000000000 0.25772194681057 167.259 > 9 10 Er 0.78052346327910 0.75000000000000 0.25772194681057 167.259 > 9 11 Er 0.28052346327910 0.75000000000000 0.75772194681057 167.259 > 9 12 Er 0.78052346327910 0.75000000000000 0.75772194681057 167.259 > 9 13 Er 0.03052346327910 0.75000000000000 0.49227805318943 167.259 > 13 14 Er 0.53052346327910 0.75000000000000 0.49227805318943 167.259 > 13 15 Er 0.03052346327910 0.75000000000000 0.99227805318943 167.259 > 13 16 Er 0.53052346327910 0.75000000000000 0.99227805318943 167.259 > 13 17 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 17 18 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 17 19 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 17 20 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 17 21 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 21 22 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 21 23 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 21 24 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 21 25 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 25 26 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 25 27 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 25 28 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 25 29 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 29 30 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 29 31 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 29 32 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 29 33 O 0.23681199584289 0.75000000000000 0.04659838395478 15.999 > 33 34 O 0.73681199584289 0.75000000000000 0.04659838395478 15.999 > 33 35 O 0.23681199584289 0.75000000000000 0.54659838395478 15.999 > 33 36 O 0.73681199584289 0.75000000000000 0.54659838395478 15.999 > 33 37 O 0.10119657095050 0.04870499629889 0.10063275655736 15.999 > 37 38 O 0.60119657095050 0.04870499629889 0.10063275655736 15.999 > 37 39 O 0.10119657095050 0.04870499629889 0.60063275655736 15.999 > 37 40 O 0.60119657095050 0.04870499629889 0.60063275655736 15.999 > 37 41 O 0.10119657095050 0.45129500370111 0.10063275655736 15.999 > 41 42 O 0.60119657095050 0.45129500370111 0.10063275655736 15.999 > 41 43 O 0.10119657095050 0.45129500370111 0.60063275655736 15.999 > 41 44 O 0.60119657095050 0.45129500370111 0.60063275655736 15.999 > 41 45 O 0.35119657095050 0.45129500370111 0.14936724344264 15.999 > 45 46 O 0.85119657095050 0.45129500370111 0.14936724344264 15.999 > 45 47 O 0.35119657095050 0.45129500370111 0.64936724344264 15.999 > 45 48 O 0.85119657095050 0.45129500370111 0.64936724344264 15.999 > 45 49 O 0.35119657095050 0.04870499629889 0.14936724344264 15.999 > 49 50 O 0.85119657095050 0.04870499629889 0.14936724344264 15.999 > 49 51 O 0.35119657095050 0.04870499629889 0.64936724344264 15.999 > 49 52 O 0.85119657095050 0.04870499629889 0.64936724344264 15.999 > 49 53 O 0.48681199584289 0.75000000000000 0.20340161604522 15.999 > 53 54 O 0.98681199584289 0.75000000000000 0.20340161604522 15.999 > 53 55 O 0.48681199584289 0.75000000000000 0.70340161604522 15.999 > 53 56 O 0.98681199584289 0.75000000000000 0.70340161604522 15.999 > 53 57 O 0.01318800415711 0.25000000000000 0.29659838395478 15.999 > 57 58 O 0.51318800415711 0.25000000000000 0.29659838395478 15.999 > 57 59 O 0.01318800415711 0.25000000000000 0.79659838395478 15.999 > 57 60 O 0.51318800415711 0.25000000000000 0.79659838395478 15.999 > 57 61 O 0.14880342904950 0.54870499629889 0.35063275655736 15.999 > 61 62 O 0.64880342904950 0.54870499629889 0.35063275655736 15.999 > 61 63 O 0.14880342904950 0.54870499629889 0.85063275655736 15.999 > 61 64 O 0.64880342904950 0.54870499629889 0.85063275655736 15.999 > 61 65 O 0.14880342904950 0.95129500370111 0.35063275655736 15.999 > 65 66 O 0.64880342904950 0.95129500370111 0.35063275655736 15.999 > 65 67 O 0.14880342904950 0.95129500370111 0.85063275655736 15.999 > 65 68 O 0.64880342904950 0.95129500370111 0.85063275655736 15.999 > 65 69 O 0.39880342904950 0.54870499629889 0.39936724344264 15.999 > 69 70 O 0.89880342904950 0.54870499629889 0.39936724344264 15.999 > 69 71 O 0.39880342904950 0.54870499629889 0.89936724344264 15.999 > 69 72 O 0.89880342904950 0.54870499629889 0.89936724344264 15.999 > 69 73 O 0.39880342904950 0.95129500370111 0.39936724344264 15.999 > 73 74 O 0.89880342904950 0.95129500370111 0.39936724344264 15.999 > 73 75 O 0.39880342904950 0.95129500370111 0.89936724344264 15.999 > 73 76 O 0.89880342904950 0.95129500370111 0.89936724344264 15.999 > 73 77 O 0.26318800415711 0.25000000000000 0.45340161604522 15.999 > 77 78 O 0.76318800415711 0.25000000000000 0.45340161604522 15.999 > 77 79 O 0.26318800415711 0.25000000000000 0.95340161604522 15.999 > 77 80 O 0.76318800415711 0.25000000000000 0.95340161604522 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0861988 0.0000000 0.0000000 0.0000000 3.9875850 0.0000000 0.0000000 0.0000000 4.1473809 -------------------------- Born effective charges -------------------------- 1 Er 3.8481013 0.0000000 -0.0270216 0.0000000 3.6457792 0.0000000 0.1817277 0.0000000 3.9874133 2 Er 3.8481013 0.0000000 0.0270216 0.0000000 3.6457792 0.0000000 -0.1817277 0.0000000 3.9874133 3 Er 3.8481013 0.0000000 0.0270216 0.0000000 3.6457792 0.0000000 -0.1817277 0.0000000 3.9874133 4 Er 3.8481013 0.0000000 -0.0270216 0.0000000 3.6457792 0.0000000 0.1817277 0.0000000 3.9874133 5 Al 2.9694368 -0.0743334 -0.2063126 0.0034824 2.9374848 -0.1651603 -0.0261895 0.0361393 2.9135231 6 Al 2.9694368 0.0743334 -0.2063126 -0.0034824 2.9374848 0.1651603 -0.0261895 -0.0361393 2.9135231 7 Al 2.9694368 -0.0743334 0.2063126 0.0034824 2.9374848 0.1651603 0.0261895 -0.0361393 2.9135231 8 Al 2.9694368 0.0743334 0.2063126 -0.0034824 2.9374848 -0.1651603 0.0261895 0.0361393 2.9135231 9 O -2.1252199 0.0000000 -0.2608156 0.0000000 -2.2646931 0.0000000 -0.3594480 0.0000000 -2.4044208 10 O -2.3461590 0.0698556 0.0356574 0.0880431 -2.1592854 -0.1272425 0.0047206 -0.1651197 -2.2482578 11 O -2.3461590 -0.0698556 0.0356574 -0.0880431 -2.1592854 0.1272425 0.0047206 0.1651197 -2.2482578 12 O -2.3461590 -0.0698556 -0.0356574 -0.0880431 -2.1592854 -0.1272425 -0.0047206 -0.1651197 -2.2482578 13 O -2.3461590 0.0698556 -0.0356574 0.0880431 -2.1592854 0.1272425 -0.0047206 0.1651197 -2.2482578 14 O -2.1252199 0.0000000 0.2608156 0.0000000 -2.2646931 0.0000000 0.3594480 0.0000000 -2.4044208 15 O -2.1252199 0.0000000 0.2608156 0.0000000 -2.2646931 0.0000000 0.3594480 0.0000000 -2.4044208 16 O -2.3461590 -0.0698556 -0.0356574 -0.0880431 -2.1592854 -0.1272425 -0.0047206 -0.1651197 -2.2482578 17 O -2.3461590 0.0698556 -0.0356574 0.0880431 -2.1592854 0.1272425 -0.0047206 0.1651197 -2.2482578 18 O -2.3461590 -0.0698556 0.0356574 -0.0880431 -2.1592854 0.1272425 0.0047206 0.1651197 -2.2482578 19 O -2.3461590 0.0698556 0.0356574 0.0880431 -2.1592854 -0.1272425 0.0047206 -0.1651197 -2.2482578 20 O -2.1252199 0.0000000 -0.2608156 0.0000000 -2.2646931 0.0000000 -0.3594480 0.0000000 -2.4044208 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) 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 ... [ 9 7 10 ] 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: 0.71, Number of G-points: 315, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 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 2.955 ( 0.000 0.000 0.000) 0.000 3.475 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 10.274 ( 0.000 0.000 0.000) 0.000 10.311 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 11.068 ( 0.000 0.000 0.000) 0.000 11.301 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 11.879 ( 0.000 0.000 0.000) 0.000 12.230 ( 0.000 0.000 0.000) 0.000 12.734 ( 0.000 0.000 0.000) 0.000 12.758 ( 0.000 0.000 0.000) 0.000 12.974 ( 0.000 0.000 0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 13.322 ( 0.000 0.000 0.000) 0.000 13.336 ( 0.000 0.000 0.000) 0.000 13.369 ( 0.000 0.000 0.000) 0.000 14.038 ( 0.000 0.000 0.000) 0.000 14.064 ( 0.000 0.000 0.000) 0.000 14.220 ( 0.000 0.000 0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 14.546 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 15.182 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 16.119 ( 0.000 0.000 0.000) 0.000 16.347 ( 0.000 0.000 0.000) 0.000 16.396 ( 0.000 0.000 0.000) 0.000 17.044 ( 0.000 0.000 0.000) 0.000 17.327 ( 0.000 0.000 0.000) 0.000 18.147 ( 0.000 0.000 0.000) 0.000 18.447 ( 0.000 0.000 0.000) 0.000 18.708 ( 0.000 0.000 0.000) 0.000 18.941 ( 0.000 0.000 0.000) 0.000 19.494 ( 0.000 0.000 0.000) 0.000 19.558 ( 0.000 0.000 0.000) 0.000 19.830 ( 0.000 0.000 0.000) 0.000 19.972 ( 0.000 0.000 0.000) 0.000 20.639 ( 0.000 0.000 0.000) 0.000 21.553 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 35.354 0.000 0.000) 35.354 0.937 ( 43.625 0.000 0.000) 43.625 1.285 ( 57.415 0.000 0.000) 57.415 2.987 ( 2.880 0.000 0.000) 2.880 3.476 ( 0.049 0.000 0.000) 0.049 3.515 ( 1.816 0.000 0.000) 1.816 3.756 ( -1.449 0.000 0.000) 1.449 4.005 ( -1.274 0.000 0.000) 1.274 4.138 ( -4.730 0.000 0.000) 4.730 4.339 ( -1.891 0.000 0.000) 1.891 4.779 ( -8.183 0.000 0.000) 8.183 4.872 ( -13.672 0.000 0.000) 13.672 6.218 ( 5.244 0.000 0.000) 5.244 6.502 ( 11.208 0.000 0.000) 11.208 7.056 ( 4.348 0.000 0.000) 4.348 8.003 ( 12.046 0.000 0.000) 12.046 8.288 ( -3.799 0.000 0.000) 3.799 8.423 ( 15.506 0.000 0.000) 15.506 8.460 ( 2.714 0.000 0.000) 2.714 9.381 ( -2.433 0.000 0.000) 2.433 10.103 ( -15.481 0.000 0.000) 15.481 10.345 ( -8.887 0.000 0.000) 8.887 10.677 ( 1.186 0.000 0.000) 1.186 10.744 ( 7.864 0.000 0.000) 7.864 11.003 ( -6.233 0.000 0.000) 6.233 11.265 ( -11.987 0.000 0.000) 11.987 11.384 ( -9.652 0.000 0.000) 9.652 11.482 ( 4.362 0.000 0.000) 4.362 11.831 ( -4.354 0.000 0.000) 4.354 12.313 ( 5.896 0.000 0.000) 5.896 12.827 ( 8.711 0.000 0.000) 8.711 12.874 ( 9.983 0.000 0.000) 9.983 12.975 ( -0.299 0.000 0.000) 0.299 13.136 ( 6.633 0.000 0.000) 6.633 13.330 ( 0.624 0.000 0.000) 0.624 13.419 ( 5.132 0.000 0.000) 5.132 14.121 ( 2.552 0.000 0.000) 2.552 14.197 ( -4.024 0.000 0.000) 4.024 14.245 ( 18.100 0.000 0.000) 18.100 14.508 ( 6.059 0.000 0.000) 6.059 14.547 ( 2.080 0.000 0.000) 2.080 14.630 ( -1.022 0.000 0.000) 1.022 15.096 ( -6.195 0.000 0.000) 6.195 15.761 ( -2.198 0.000 0.000) 2.198 16.050 ( -10.325 0.000 0.000) 10.325 16.313 ( 13.872 0.000 0.000) 13.872 16.409 ( 4.082 0.000 0.000) 4.082 16.563 ( -26.101 0.000 0.000) 26.101 17.742 ( 22.161 0.000 0.000) 22.161 17.924 ( -19.175 0.000 0.000) 19.175 18.025 ( 2.057 0.000 0.000) 2.057 18.393 ( -5.989 0.000 0.000) 5.989 18.927 ( -0.721 0.000 0.000) 0.721 19.437 ( -11.130 0.000 0.000) 11.130 19.477 ( -1.588 0.000 0.000) 1.588 19.730 ( -9.190 0.000 0.000) 9.190 20.174 ( 17.026 0.000 0.000) 17.026 20.700 ( 5.503 0.000 0.000) 5.503 21.565 ( 0.995 0.000 0.000) 0.995 22.001 ( -3.247 0.000 0.000) 3.247 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 32.254 0.000 0.000) 32.254 1.792 ( 37.630 0.000 0.000) 37.630 2.302 ( 38.181 0.000 0.000) 38.181 3.065 ( 4.203 0.000 0.000) 4.203 3.454 ( -3.416 0.000 0.000) 3.416 3.569 ( 3.180 0.000 0.000) 3.180 3.767 ( 4.340 0.000 0.000) 4.340 3.968 ( -2.129 0.000 0.000) 2.129 4.007 ( -7.275 0.000 0.000) 7.275 4.280 ( -3.790 0.000 0.000) 3.790 4.517 ( -18.827 0.000 0.000) 18.827 4.543 ( -13.743 0.000 0.000) 13.743 6.371 ( 9.332 0.000 0.000) 9.332 6.831 ( 19.673 0.000 0.000) 19.673 7.168 ( 5.641 0.000 0.000) 5.641 8.243 ( 0.423 0.000 0.000) 0.423 8.267 ( 11.656 0.000 0.000) 11.656 8.522 ( 3.403 0.000 0.000) 3.403 8.918 ( 31.059 0.000 0.000) 31.059 9.329 ( -2.097 0.000 0.000) 2.097 9.687 ( -22.934 0.000 0.000) 22.934 10.166 ( -8.240 0.000 0.000) 8.240 10.737 ( 4.647 0.000 0.000) 4.647 10.798 ( -7.617 0.000 0.000) 7.617 10.806 ( -12.667 0.000 0.000) 12.667 11.061 ( -0.898 0.000 0.000) 0.898 11.137 ( -13.226 0.000 0.000) 13.226 11.540 ( -0.055 0.000 0.000) 0.055 11.707 ( -7.338 0.000 0.000) 7.338 12.337 ( -6.528 0.000 0.000) 6.528 13.044 ( 9.038 0.000 0.000) 9.038 13.077 ( 14.415 0.000 0.000) 14.415 13.098 ( 9.654 0.000 0.000) 9.654 13.343 ( 0.573 0.000 0.000) 0.573 13.344 ( 13.294 0.000 0.000) 13.294 13.614 ( 14.253 0.000 0.000) 14.253 14.017 ( -12.036 0.000 0.000) 12.036 14.054 ( -8.226 0.000 0.000) 8.226 14.633 ( 1.934 0.000 0.000) 1.934 14.677 ( 9.229 0.000 0.000) 9.229 14.686 ( 21.187 0.000 0.000) 21.187 14.847 ( 25.524 0.000 0.000) 25.524 14.978 ( -4.872 0.000 0.000) 4.872 15.700 ( -3.152 0.000 0.000) 3.152 15.783 ( -14.981 0.000 0.000) 14.981 15.899 ( -30.165 0.000 0.000) 30.165 16.519 ( 7.762 0.000 0.000) 7.762 16.792 ( 24.131 0.000 0.000) 24.131 17.442 ( -25.408 0.000 0.000) 25.408 18.093 ( 4.358 0.000 0.000) 4.358 18.133 ( 14.792 0.000 0.000) 14.792 18.162 ( -16.569 0.000 0.000) 16.569 18.943 ( 2.549 0.000 0.000) 2.549 19.116 ( -19.272 0.000 0.000) 19.272 19.429 ( -3.049 0.000 0.000) 3.049 19.455 ( -16.867 0.000 0.000) 16.867 20.583 ( 20.490 0.000 0.000) 20.490 20.853 ( 8.891 0.000 0.000) 8.891 21.584 ( 0.548 0.000 0.000) 0.548 21.902 ( -6.205 0.000 0.000) 6.205 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 27.509 0.000 0.000) 27.509 2.478 ( 27.564 0.000 0.000) 27.564 2.868 ( 17.712 0.000 0.000) 17.712 3.141 ( 2.415 0.000 0.000) 2.415 3.316 ( -8.970 0.000 0.000) 8.970 3.625 ( 0.934 0.000 0.000) 0.934 3.860 ( -6.080 0.000 0.000) 6.080 3.927 ( -1.279 0.000 0.000) 1.279 3.930 ( 8.568 0.000 0.000) 8.568 4.143 ( -16.022 0.000 0.000) 16.022 4.183 ( -5.346 0.000 0.000) 5.346 4.250 ( -12.756 0.000 0.000) 12.756 6.608 ( 13.428 0.000 0.000) 13.428 7.252 ( 1.270 0.000 0.000) 1.270 7.292 ( 23.790 0.000 0.000) 23.790 8.295 ( 1.690 0.000 0.000) 1.690 8.468 ( 7.782 0.000 0.000) 7.782 8.629 ( 9.053 0.000 0.000) 9.053 9.204 ( -22.033 0.000 0.000) 22.033 9.300 ( -0.983 0.000 0.000) 0.983 9.652 ( 37.600 0.000 0.000) 37.600 10.009 ( -6.449 0.000 0.000) 6.449 10.478 ( -18.406 0.000 0.000) 18.406 10.559 ( -9.999 0.000 0.000) 9.999 10.855 ( -13.311 0.000 0.000) 13.311 10.872 ( 8.259 0.000 0.000) 8.259 11.174 ( 8.348 0.000 0.000) 8.348 11.434 ( -11.037 0.000 0.000) 11.037 11.528 ( -9.727 0.000 0.000) 9.727 12.060 ( -17.601 0.000 0.000) 17.601 13.255 ( 5.952 0.000 0.000) 5.952 13.325 ( 15.602 0.000 0.000) 15.602 13.358 ( 1.114 0.000 0.000) 1.114 13.383 ( 13.867 0.000 0.000) 13.867 13.689 ( 19.535 0.000 0.000) 19.535 13.759 ( -11.498 0.000 0.000) 11.498 13.836 ( -10.699 0.000 0.000) 10.699 13.996 ( 20.044 0.000 0.000) 20.044 14.704 ( 3.704 0.000 0.000) 3.704 14.840 ( 3.486 0.000 0.000) 3.486 14.902 ( -1.816 0.000 0.000) 1.816 15.007 ( 7.382 0.000 0.000) 7.382 15.288 ( -27.593 0.000 0.000) 27.593 15.444 ( -16.572 0.000 0.000) 16.572 15.498 ( 35.320 0.000 0.000) 35.320 15.684 ( 3.885 0.000 0.000) 3.885 16.802 ( 20.386 0.000 0.000) 20.386 16.904 ( -25.543 0.000 0.000) 25.543 17.323 ( 25.989 0.000 0.000) 25.989 17.706 ( -26.696 0.000 0.000) 26.696 18.198 ( 5.375 0.000 0.000) 5.375 18.348 ( 5.440 0.000 0.000) 5.440 18.653 ( -24.133 0.000 0.000) 24.133 19.025 ( 4.974 0.000 0.000) 4.974 19.045 ( -21.899 0.000 0.000) 21.899 19.352 ( -4.298 0.000 0.000) 4.298 20.985 ( 17.430 0.000 0.000) 17.430 21.063 ( 11.019 0.000 0.000) 11.019 21.573 ( -2.010 0.000 0.000) 2.010 21.745 ( -8.779 0.000 0.000) 8.779 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 21.529 0.000 0.000) 21.529 2.927 ( 15.451 0.000 0.000) 15.451 2.968 ( -12.055 0.000 0.000) 12.055 3.130 ( -4.407 0.000 0.000) 4.407 3.274 ( 10.648 0.000 0.000) 10.648 3.528 ( -10.560 0.000 0.000) 10.560 3.789 ( 0.015 0.000 0.000) 0.015 3.880 ( -8.731 0.000 0.000) 8.731 3.951 ( 3.955 0.000 0.000) 3.955 4.040 ( 1.430 0.000 0.000) 1.430 4.065 ( -5.137 0.000 0.000) 5.137 4.080 ( -3.314 0.000 0.000) 3.314 6.915 ( 15.096 0.000 0.000) 15.096 7.179 ( -8.701 0.000 0.000) 8.701 7.785 ( 22.395 0.000 0.000) 22.395 8.174 ( -13.474 0.000 0.000) 13.474 8.614 ( 7.211 0.000 0.000) 7.211 8.822 ( -13.848 0.000 0.000) 13.848 8.951 ( 18.817 0.000 0.000) 18.817 9.241 ( -6.917 0.000 0.000) 6.917 9.929 ( 0.209 0.000 0.000) 0.209 10.093 ( -15.768 0.000 0.000) 15.768 10.422 ( 34.889 0.000 0.000) 34.889 10.468 ( 1.631 0.000 0.000) 1.631 10.603 ( -10.236 0.000 0.000) 10.236 11.049 ( -16.071 0.000 0.000) 16.071 11.083 ( 1.939 0.000 0.000) 1.939 11.308 ( -11.178 0.000 0.000) 11.178 11.385 ( 12.131 0.000 0.000) 12.131 11.688 ( -16.790 0.000 0.000) 16.790 13.363 ( 4.413 0.000 0.000) 4.413 13.396 ( 1.918 0.000 0.000) 1.918 13.577 ( -4.799 0.000 0.000) 4.799 13.598 ( 8.179 0.000 0.000) 8.179 13.610 ( 6.527 0.000 0.000) 6.527 13.625 ( -8.137 0.000 0.000) 8.137 14.143 ( 23.541 0.000 0.000) 23.541 14.418 ( 19.115 0.000 0.000) 19.115 14.642 ( -21.300 0.000 0.000) 21.300 14.750 ( -11.477 0.000 0.000) 11.477 14.799 ( 1.115 0.000 0.000) 1.115 14.959 ( -9.995 0.000 0.000) 9.995 15.019 ( 5.245 0.000 0.000) 5.245 15.171 ( -8.659 0.000 0.000) 8.659 15.914 ( 17.109 0.000 0.000) 17.109 16.204 ( 16.809 0.000 0.000) 16.809 16.457 ( -2.549 0.000 0.000) 2.549 17.068 ( -33.849 0.000 0.000) 33.849 17.339 ( 29.030 0.000 0.000) 29.030 17.779 ( 6.198 0.000 0.000) 6.198 18.139 ( -10.425 0.000 0.000) 10.425 18.279 ( -0.286 0.000 0.000) 0.286 18.436 ( 0.310 0.000 0.000) 0.310 18.583 ( -19.544 0.000 0.000) 19.544 19.138 ( 5.599 0.000 0.000) 5.599 19.252 ( -5.221 0.000 0.000) 5.221 21.294 ( 12.075 0.000 0.000) 12.075 21.303 ( 11.693 0.000 0.000) 11.693 21.487 ( -6.491 0.000 0.000) 6.491 21.539 ( -10.777 0.000 0.000) 10.777 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.000 39.586 0.000) 39.586 0.863 ( 0.000 43.130 0.000) 43.130 1.291 ( 0.000 63.813 0.000) 63.813 2.976 ( 0.000 1.231 0.000) 1.231 3.414 ( 0.000 -6.348 0.000) 6.348 3.460 ( 0.000 -2.957 0.000) 2.957 3.748 ( 0.000 -0.015 0.000) 0.015 4.059 ( 0.000 3.584 0.000) 3.584 4.144 ( 0.000 -4.041 0.000) 4.041 4.329 ( 0.000 -2.806 0.000) 2.806 4.824 ( 0.000 -4.245 0.000) 4.245 4.965 ( 0.000 -6.272 0.000) 6.272 6.417 ( 0.000 3.480 0.000) 3.480 6.987 ( 0.000 -2.219 0.000) 2.219 7.160 ( 0.000 1.693 0.000) 1.693 7.814 ( 0.000 -3.990 0.000) 3.990 8.043 ( 0.000 -1.219 0.000) 1.219 8.281 ( 0.000 1.471 0.000) 1.471 8.479 ( 0.000 5.896 0.000) 5.896 9.423 ( 0.000 1.884 0.000) 1.884 10.167 ( 0.000 -15.165 0.000) 15.165 10.386 ( 0.000 10.423 0.000) 10.423 10.631 ( 0.000 3.502 0.000) 3.502 10.800 ( 0.000 12.913 0.000) 12.913 10.903 ( 0.000 -17.515 0.000) 17.515 11.115 ( 0.000 -11.902 0.000) 11.902 11.181 ( 0.000 -8.392 0.000) 8.392 11.787 ( 0.000 14.343 0.000) 14.343 12.115 ( 0.000 17.668 0.000) 17.668 12.238 ( 0.000 1.179 0.000) 1.179 12.728 ( 0.000 -0.441 0.000) 0.441 12.848 ( 0.000 2.186 0.000) 2.186 12.952 ( 0.000 -3.198 0.000) 3.198 12.968 ( 0.000 -0.485 0.000) 0.485 13.330 ( 0.000 -0.571 0.000) 0.571 13.380 ( 0.000 5.713 0.000) 5.713 13.919 ( 0.000 -9.483 0.000) 9.483 14.102 ( 0.000 3.766 0.000) 3.766 14.190 ( 0.000 -3.970 0.000) 3.970 14.294 ( 0.000 4.722 0.000) 4.722 14.482 ( 0.000 -6.030 0.000) 6.030 14.587 ( 0.000 -5.576 0.000) 5.576 15.267 ( 0.000 9.717 0.000) 9.717 15.870 ( 0.000 8.345 0.000) 8.345 16.164 ( 0.000 4.283 0.000) 4.283 16.299 ( 0.000 -4.454 0.000) 4.454 16.358 ( 0.000 -3.767 0.000) 3.767 17.007 ( 0.000 -3.542 0.000) 3.542 17.261 ( 0.000 -6.632 0.000) 6.632 17.844 ( 0.000 6.959 0.000) 6.959 18.252 ( 0.000 2.817 0.000) 2.817 18.345 ( 0.000 -15.666 0.000) 15.666 18.682 ( 0.000 -2.648 0.000) 2.648 18.784 ( 0.000 -7.723 0.000) 7.723 19.394 ( 0.000 -23.676 0.000) 23.676 19.503 ( 0.000 -5.489 0.000) 5.489 20.454 ( 0.000 28.353 0.000) 28.353 20.830 ( 0.000 16.418 0.000) 16.418 21.574 ( 0.000 1.784 0.000) 1.784 22.501 ( 0.000 -7.255 0.000) 7.255 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 24.702 22.706 0.000) 33.552 1.072 ( 22.895 27.201 0.000) 35.554 1.918 ( 41.472 44.775 0.000) 61.031 2.994 ( 1.747 0.121 0.000) 1.751 3.403 ( -0.124 -6.737 0.000) 6.738 3.480 ( 1.803 -3.041 0.000) 3.536 3.740 ( -1.595 -1.301 0.000) 2.059 4.036 ( -2.690 1.214 0.000) 2.951 4.099 ( -3.699 -2.034 0.000) 4.222 4.305 ( -2.165 -3.022 0.000) 3.717 4.744 ( -7.421 -3.455 0.000) 8.186 4.833 ( -11.767 -4.269 0.000) 12.517 6.533 ( 10.873 3.134 0.000) 11.316 6.737 ( -14.411 34.371 0.000) 37.270 7.041 ( 4.906 -1.688 0.000) 5.189 7.913 ( 7.761 -6.885 0.000) 10.375 8.138 ( 10.230 -10.846 0.000) 14.909 8.399 ( 3.094 -3.192 0.000) 4.445 8.503 ( 7.931 5.752 0.000) 9.797 9.400 ( -2.117 2.290 0.000) 3.119 10.167 ( -17.930 4.664 0.000) 18.527 10.182 ( -2.929 -15.730 0.000) 16.000 10.694 ( 3.696 -3.395 0.000) 5.019 10.775 ( -0.935 9.245 0.000) 9.292 10.940 ( -1.288 -5.001 0.000) 5.164 11.046 ( -5.771 -10.644 0.000) 12.108 11.183 ( 0.253 -9.946 0.000) 9.949 11.680 ( -7.276 10.033 0.000) 12.393 12.133 ( -5.284 19.674 0.000) 20.372 12.349 ( 7.282 3.809 0.000) 8.218 12.799 ( 9.761 -1.002 0.000) 9.812 12.942 ( -0.631 -3.239 0.000) 3.300 12.950 ( 9.539 3.483 0.000) 10.154 13.050 ( 6.306 -3.184 0.000) 7.064 13.391 ( 0.922 5.907 0.000) 5.979 13.517 ( 10.404 4.890 0.000) 11.496 13.963 ( 2.243 -12.194 0.000) 12.398 14.173 ( -3.576 -3.083 0.000) 4.721 14.297 ( 18.097 3.546 0.000) 18.441 14.440 ( -1.845 -8.920 0.000) 9.108 14.468 ( 12.945 -0.452 0.000) 12.953 14.592 ( 0.674 -4.602 0.000) 4.651 15.234 ( -2.172 13.738 0.000) 13.908 15.789 ( -5.323 2.996 0.000) 6.109 16.133 ( -15.265 3.503 0.000) 15.662 16.322 ( 3.280 -0.566 0.000) 3.329 16.354 ( 3.888 -5.284 0.000) 6.561 16.585 ( -14.549 3.754 0.000) 15.026 17.672 ( 21.822 -7.006 0.000) 22.919 17.872 ( -8.955 -0.309 0.000) 8.960 18.124 ( -4.462 6.485 0.000) 7.872 18.339 ( -1.437 -10.930 0.000) 11.024 18.718 ( -5.359 -12.493 0.000) 13.594 18.933 ( 12.207 -28.388 0.000) 30.901 19.390 ( -10.482 -5.012 0.000) 11.618 19.412 ( -0.911 -21.458 0.000) 21.477 20.537 ( 8.410 25.938 0.000) 27.267 20.883 ( 4.832 15.815 0.000) 16.537 21.587 ( 1.175 1.968 0.000) 2.292 22.252 ( -13.591 8.013 0.000) 15.777 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 27.006 14.382 0.000) 30.597 1.680 ( 32.757 -0.885 0.000) 32.769 2.696 ( 29.367 28.896 0.000) 41.199 3.045 ( 2.941 -2.221 0.000) 3.686 3.411 ( -0.212 -4.658 0.000) 4.663 3.531 ( 2.924 -3.480 0.000) 4.545 3.705 ( -0.092 -5.609 0.000) 5.610 3.922 ( -7.614 -5.801 0.000) 9.572 4.032 ( -2.740 3.830 0.000) 4.709 4.239 ( -4.153 -3.153 0.000) 5.214 4.531 ( -12.376 -1.366 0.000) 12.451 4.532 ( -15.447 0.739 0.000) 15.465 6.650 ( 3.004 25.580 0.000) 25.755 6.851 ( 18.985 2.110 0.000) 19.102 7.172 ( 7.003 0.117 0.000) 7.004 8.101 ( 9.809 -8.900 0.000) 13.245 8.315 ( 5.804 0.875 0.000) 5.869 8.480 ( 5.424 -3.669 0.000) 6.548 8.889 ( 28.083 -2.644 0.000) 28.207 9.339 ( -3.922 1.398 0.000) 4.164 9.733 ( -22.061 3.061 0.000) 22.272 10.084 ( -5.091 -9.229 0.000) 10.540 10.671 ( -7.146 -9.111 0.000) 11.579 10.771 ( -2.472 4.546 0.000) 5.175 10.811 ( -7.164 0.591 0.000) 7.188 10.984 ( 1.993 -5.321 0.000) 5.682 11.123 ( -6.914 -1.291 0.000) 7.033 11.573 ( -3.132 2.768 0.000) 4.180 11.954 ( -10.012 19.430 0.000) 21.858 12.383 ( -6.907 4.757 0.000) 8.387 12.991 ( 7.020 -4.657 0.000) 8.424 13.071 ( 14.020 -0.388 0.000) 14.025 13.186 ( 12.247 0.817 0.000) 12.274 13.220 ( 9.628 -0.650 0.000) 9.650 13.419 ( 1.932 6.840 0.000) 7.107 13.743 ( 10.709 5.105 0.000) 11.863 13.970 ( 0.604 -4.324 0.000) 4.366 13.999 ( -11.476 -2.053 0.000) 11.659 14.456 ( 2.220 -12.443 0.000) 12.640 14.637 ( 3.681 -4.835 0.000) 6.076 14.765 ( 21.516 6.101 0.000) 22.364 14.842 ( 25.738 -0.366 0.000) 25.740 15.219 ( 1.050 19.787 0.000) 19.815 15.648 ( -10.532 -3.249 0.000) 11.022 15.787 ( -17.974 0.441 0.000) 17.979 15.924 ( -21.458 0.496 0.000) 21.464 16.453 ( 6.654 -6.340 0.000) 9.190 16.843 ( 21.754 5.665 0.000) 22.480 17.489 ( -22.591 4.590 0.000) 23.052 18.045 ( 10.779 -7.356 0.000) 13.050 18.136 ( 2.856 4.361 0.000) 5.212 18.209 ( -10.364 2.202 0.000) 10.595 18.645 ( -0.001 -25.132 0.000) 25.132 19.056 ( 0.419 -29.946 0.000) 29.949 19.084 ( -18.267 -4.559 0.000) 18.827 19.287 ( -10.628 -15.017 0.000) 18.398 20.794 ( 15.093 18.559 0.000) 23.921 21.020 ( 8.021 14.519 0.000) 16.587 21.613 ( 0.939 2.549 0.000) 2.717 22.028 ( -9.025 7.985 0.000) 12.051 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 24.531 6.792 0.000) 25.454 2.307 ( 26.323 -9.011 0.000) 27.823 3.103 ( 1.995 -3.773 0.000) 4.268 3.105 ( 11.383 15.111 0.000) 18.918 3.326 ( -7.008 1.451 0.000) 7.156 3.582 ( 1.034 -4.336 0.000) 4.458 3.749 ( 0.888 -14.800 0.000) 14.826 3.759 ( -7.120 -8.107 0.000) 10.790 3.975 ( -2.559 3.825 0.000) 4.602 4.143 ( -4.453 -0.694 0.000) 4.506 4.257 ( -9.657 5.434 0.000) 11.081 4.272 ( -10.937 1.470 0.000) 11.035 6.802 ( 10.884 18.786 0.000) 21.712 7.271 ( 11.778 1.501 0.000) 11.874 7.320 ( 14.741 2.734 0.000) 14.992 8.284 ( 3.086 -1.164 0.000) 3.298 8.416 ( 6.476 -4.150 0.000) 7.692 8.649 ( 12.355 2.018 0.000) 12.518 9.149 ( -17.084 -2.581 0.000) 17.278 9.387 ( -7.198 4.991 0.000) 8.759 9.530 ( 27.521 -10.798 0.000) 29.563 10.039 ( 4.953 0.922 0.000) 5.038 10.484 ( -18.289 1.845 0.000) 18.381 10.504 ( -6.172 -4.086 0.000) 7.402 10.795 ( -4.663 -0.901 0.000) 4.749 10.993 ( -0.524 6.400 0.000) 6.421 11.077 ( 5.570 -7.536 0.000) 9.371 11.461 ( -9.882 2.123 0.000) 10.107 11.748 ( -9.241 18.253 0.000) 20.459 12.097 ( -17.683 4.176 0.000) 18.169 13.166 ( 6.775 -9.845 0.000) 11.951 13.276 ( 5.200 -6.721 0.000) 8.498 13.375 ( 6.735 7.645 0.000) 10.189 13.485 ( 3.829 6.876 0.000) 7.870 13.560 ( 20.849 -5.943 0.000) 21.679 13.786 ( -2.314 -5.966 0.000) 6.399 13.794 ( -5.278 3.228 0.000) 6.187 14.215 ( 19.288 15.709 0.000) 24.875 14.490 ( 0.724 -14.723 0.000) 14.741 14.718 ( 2.636 -6.480 0.000) 6.995 15.069 ( 6.366 5.456 0.000) 8.384 15.180 ( -12.686 7.671 0.000) 14.825 15.298 ( -12.424 9.816 0.000) 15.833 15.356 ( -11.491 -6.946 0.000) 13.427 15.550 ( 28.854 4.157 0.000) 29.152 15.756 ( 4.249 6.258 0.000) 7.564 16.669 ( 10.489 -8.407 0.000) 13.442 17.046 ( -14.347 9.242 0.000) 17.066 17.330 ( 24.134 1.093 0.000) 24.159 17.738 ( -26.420 3.023 0.000) 26.592 18.205 ( 3.253 0.721 0.000) 3.332 18.295 ( 5.584 -5.315 0.000) 7.709 18.565 ( -19.074 -10.539 0.000) 21.792 18.781 ( 0.404 -20.459 0.000) 20.463 18.898 ( -16.626 -15.942 0.000) 23.034 19.097 ( -4.977 -20.623 0.000) 21.215 21.114 ( 14.593 12.131 0.000) 18.977 21.209 ( 9.913 12.765 0.000) 16.162 21.612 ( -1.327 3.633 0.000) 3.868 21.843 ( -9.046 7.590 0.000) 11.808 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 18.511 1.169 0.000) 18.548 2.741 ( 12.781 -10.028 0.000) 16.245 3.064 ( -9.238 3.861 0.000) 10.013 3.086 ( -4.597 -3.409 0.000) 5.723 3.372 ( 8.738 6.764 0.000) 11.050 3.532 ( -5.672 -1.505 0.000) 5.868 3.656 ( -2.367 -10.485 0.000) 10.748 3.687 ( -4.465 -15.271 0.000) 15.911 3.957 ( 1.921 1.109 0.000) 2.219 4.045 ( -5.379 -0.728 0.000) 5.428 4.132 ( -2.277 3.482 0.000) 4.160 4.141 ( -2.380 5.349 0.000) 5.855 7.064 ( 12.923 14.379 0.000) 19.333 7.274 ( -5.753 8.905 0.000) 10.601 7.774 ( 21.459 -0.994 0.000) 21.482 8.152 ( -13.550 -2.210 0.000) 13.729 8.580 ( 7.984 -2.637 0.000) 8.408 8.796 ( -13.889 -1.889 0.000) 14.017 9.010 ( 19.016 5.237 0.000) 19.724 9.282 ( -6.570 2.684 0.000) 7.097 9.803 ( 6.554 -10.065 0.000) 12.011 10.072 ( -19.083 -0.482 0.000) 19.089 10.454 ( 10.237 2.608 0.000) 10.564 10.515 ( 24.712 3.079 0.000) 24.903 10.613 ( -9.561 1.427 0.000) 9.667 11.093 ( 1.233 -0.071 0.000) 1.235 11.111 ( -18.522 4.801 0.000) 19.134 11.170 ( 1.441 -8.129 0.000) 8.256 11.613 ( -1.515 16.425 0.000) 16.495 11.750 ( -13.523 7.003 0.000) 15.229 13.256 ( 3.256 -14.385 0.000) 14.749 13.316 ( -1.323 -14.794 0.000) 14.853 13.445 ( 1.414 6.884 0.000) 7.028 13.489 ( -2.485 4.177 0.000) 4.860 13.811 ( 3.840 3.572 0.000) 5.245 13.828 ( 3.685 9.665 0.000) 10.344 14.029 ( 23.521 -6.033 0.000) 24.282 14.481 ( -11.112 -10.704 0.000) 15.429 14.585 ( -4.386 -8.305 0.000) 9.392 14.596 ( 12.704 14.134 0.000) 19.004 14.940 ( -10.435 -3.523 0.000) 11.014 15.024 ( 3.082 0.922 0.000) 3.217 15.071 ( -12.347 14.068 0.000) 18.718 15.146 ( -5.423 -0.687 0.000) 5.466 16.011 ( 17.615 9.761 0.000) 20.139 16.281 ( 25.417 6.979 0.000) 26.357 16.478 ( -8.221 2.884 0.000) 8.712 17.097 ( -34.220 2.968 0.000) 34.349 17.324 ( 28.057 -1.862 0.000) 28.118 17.778 ( 8.507 -0.205 0.000) 8.509 18.047 ( -14.676 -8.801 0.000) 17.112 18.223 ( -4.768 -5.730 0.000) 7.455 18.393 ( 1.683 -4.230 0.000) 4.552 18.519 ( -15.129 -5.742 0.000) 16.182 18.883 ( 5.966 -23.632 0.000) 24.373 19.000 ( -5.045 -23.089 0.000) 23.634 21.377 ( 10.315 7.953 0.000) 13.024 21.424 ( 10.251 10.477 0.000) 14.658 21.546 ( -5.094 5.548 0.000) 7.532 21.645 ( -9.980 8.780 0.000) 13.293 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 35.409 0.000) 35.409 1.663 ( 0.000 38.364 0.000) 38.364 2.441 ( 0.000 52.453 0.000) 52.453 2.930 ( 0.000 -8.059 0.000) 8.059 3.223 ( 0.000 -13.234 0.000) 13.234 3.444 ( 0.000 3.115 0.000) 3.115 3.742 ( 0.000 -0.975 0.000) 0.975 3.993 ( 0.000 -8.726 0.000) 8.726 4.194 ( 0.000 7.556 0.000) 7.556 4.268 ( 0.000 -2.734 0.000) 2.734 4.708 ( 0.000 -7.387 0.000) 7.387 4.779 ( 0.000 -12.784 0.000) 12.784 6.514 ( 0.000 6.277 0.000) 6.277 6.918 ( 0.000 -4.889 0.000) 4.889 7.216 ( 0.000 4.196 0.000) 4.196 7.684 ( 0.000 -8.928 0.000) 8.928 8.073 ( 0.000 4.732 0.000) 4.732 8.310 ( 0.000 1.055 0.000) 1.055 8.624 ( 0.000 8.798 0.000) 8.798 9.509 ( 0.000 7.501 0.000) 7.501 9.743 ( 0.000 -26.327 0.000) 26.327 10.493 ( 0.000 -22.405 0.000) 22.405 10.615 ( 0.000 11.363 0.000) 11.363 10.717 ( 0.000 4.794 0.000) 4.794 10.950 ( 0.000 -5.266 0.000) 5.266 11.054 ( 0.000 -5.905 0.000) 5.905 11.162 ( 0.000 23.373 0.000) 23.373 11.989 ( 0.000 5.487 0.000) 5.487 12.292 ( 0.000 4.745 0.000) 4.745 12.441 ( 0.000 14.439 0.000) 14.439 12.720 ( 0.000 -0.362 0.000) 0.362 12.852 ( 0.000 -7.472 0.000) 7.472 12.903 ( 0.000 3.163 0.000) 3.163 12.962 ( 0.000 0.092 0.000) 0.092 13.320 ( 0.000 -0.086 0.000) 0.086 13.529 ( 0.000 9.026 0.000) 9.026 13.712 ( 0.000 -11.247 0.000) 11.247 14.049 ( 0.000 -9.693 0.000) 9.693 14.199 ( 0.000 5.657 0.000) 5.657 14.341 ( 0.000 -7.480 0.000) 7.480 14.364 ( 0.000 2.115 0.000) 2.115 14.445 ( 0.000 -8.470 0.000) 8.470 15.590 ( 0.000 23.152 0.000) 23.152 16.083 ( 0.000 12.633 0.000) 12.633 16.202 ( 0.000 -4.648 0.000) 4.648 16.263 ( 0.000 -5.409 0.000) 5.409 16.264 ( 0.000 5.277 0.000) 5.277 16.927 ( 0.000 -3.935 0.000) 3.935 17.074 ( 0.000 -12.485 0.000) 12.485 17.804 ( 0.000 -34.573 0.000) 34.573 18.023 ( 0.000 10.918 0.000) 10.918 18.332 ( 0.000 5.245 0.000) 5.245 18.605 ( 0.000 -5.276 0.000) 5.276 18.796 ( 0.000 6.200 0.000) 6.200 18.973 ( 0.000 -19.278 0.000) 19.278 19.356 ( 0.000 -9.098 0.000) 9.098 21.005 ( 0.000 27.629 0.000) 27.629 21.167 ( 0.000 16.322 0.000) 16.322 21.602 ( 0.000 0.531 0.000) 0.531 22.292 ( 0.000 -14.077 0.000) 14.077 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 3.499 35.214 0.000) 35.388 1.656 ( 11.573 30.556 0.000) 32.674 2.776 ( 24.803 40.062 0.000) 47.118 2.936 ( 0.609 -7.801 0.000) 7.825 3.207 ( -0.969 -13.726 0.000) 13.760 3.449 ( 0.515 1.500 0.000) 1.586 3.711 ( -3.198 -1.785 0.000) 3.662 3.931 ( -5.758 -8.798 0.000) 10.515 4.181 ( -1.331 7.312 0.000) 7.432 4.246 ( -1.827 -2.053 0.000) 2.748 4.648 ( -5.634 -6.264 0.000) 8.425 4.703 ( -6.816 -9.038 0.000) 11.320 6.621 ( 10.001 5.703 0.000) 11.513 6.985 ( 6.154 -4.170 0.000) 7.433 7.245 ( 1.609 17.140 0.000) 17.216 7.858 ( 6.002 -0.378 0.000) 6.014 7.942 ( 4.670 -5.399 0.000) 7.138 8.353 ( 1.293 -2.168 0.000) 2.524 8.633 ( 3.834 7.876 0.000) 8.759 9.487 ( -2.359 6.954 0.000) 7.343 9.755 ( 0.505 -26.402 0.000) 26.407 10.167 ( -19.724 -6.819 0.000) 20.870 10.676 ( -3.367 1.725 0.000) 3.783 10.817 ( 6.720 -0.921 0.000) 6.782 10.910 ( -3.104 -4.781 0.000) 5.700 11.032 ( -1.044 -6.025 0.000) 6.114 11.116 ( -3.730 20.269 0.000) 20.609 11.820 ( -11.099 4.042 0.000) 11.812 12.452 ( 9.598 6.133 0.000) 11.391 12.488 ( -2.280 16.046 0.000) 16.208 12.788 ( 9.783 -0.339 0.000) 9.789 12.852 ( -0.186 -5.957 0.000) 5.960 12.939 ( 3.074 -1.197 0.000) 3.299 13.094 ( 12.373 3.904 0.000) 12.974 13.541 ( 1.028 8.839 0.000) 8.899 13.557 ( 17.574 -0.289 0.000) 17.576 13.725 ( 1.680 -11.369 0.000) 11.493 14.055 ( -0.983 -8.814 0.000) 8.869 14.260 ( -5.230 -8.019 0.000) 9.573 14.380 ( 16.529 4.833 0.000) 17.221 14.459 ( 0.956 -8.511 0.000) 8.564 14.490 ( 12.412 1.626 0.000) 12.518 15.611 ( 1.873 23.574 0.000) 23.648 15.887 ( -11.425 7.832 0.000) 13.852 16.134 ( -11.699 -2.274 0.000) 11.918 16.229 ( 2.149 -6.683 0.000) 7.020 16.257 ( -13.953 -5.436 0.000) 14.975 16.739 ( 5.634 11.369 0.000) 12.688 17.469 ( 20.495 -14.446 0.000) 25.075 17.838 ( 3.184 -33.579 0.000) 33.729 17.947 ( -10.526 7.201 0.000) 12.753 18.255 ( -2.279 6.767 0.000) 7.141 18.565 ( -3.397 -12.137 0.000) 12.604 18.695 ( -9.620 6.058 0.000) 11.368 19.017 ( 1.633 -18.439 0.000) 18.512 19.250 ( -10.024 -8.898 0.000) 13.404 21.055 ( 4.925 26.330 0.000) 26.787 21.209 ( 3.887 15.833 0.000) 16.303 21.621 ( 1.654 0.843 0.000) 1.857 22.219 ( -5.886 -9.162 0.000) 10.890 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 16.406 18.906 0.000) 25.032 1.968 ( 17.267 20.759 0.000) 27.001 2.958 ( 1.472 -7.506 0.000) 7.649 3.162 ( 4.194 2.582 0.000) 4.925 3.284 ( 13.212 3.972 0.000) 13.796 3.467 ( 1.139 -1.966 0.000) 2.273 3.602 ( -7.131 -3.645 0.000) 8.009 3.772 ( -8.864 -8.767 0.000) 12.467 4.137 ( -2.838 6.485 0.000) 7.079 4.205 ( -1.812 0.974 0.000) 2.058 4.484 ( -9.614 -3.535 0.000) 10.243 4.523 ( -9.625 -1.974 0.000) 9.826 6.912 ( 17.332 4.076 0.000) 17.805 7.158 ( 9.894 -1.865 0.000) 10.068 7.231 ( -1.267 31.059 0.000) 31.084 7.982 ( 13.796 -1.709 0.000) 13.901 8.293 ( 12.191 -3.682 0.000) 12.735 8.378 ( 5.905 -6.943 0.000) 9.115 8.856 ( 18.450 0.850 0.000) 18.469 9.395 ( -7.179 4.385 0.000) 8.413 9.742 ( -19.903 -2.811 0.000) 20.101 9.774 ( 2.396 -21.748 0.000) 21.879 10.576 ( -5.907 -0.158 0.000) 5.909 10.828 ( -4.499 1.356 0.000) 4.699 10.871 ( 0.096 -6.277 0.000) 6.277 10.938 ( -7.304 9.321 0.000) 11.842 11.106 ( 0.685 2.385 0.000) 2.482 11.621 ( -7.089 1.412 0.000) 7.228 12.341 ( -9.456 19.225 0.000) 21.425 12.512 ( -6.975 7.726 0.000) 10.409 12.886 ( 4.686 -5.731 0.000) 7.403 13.033 ( 4.797 -5.637 0.000) 7.402 13.086 ( 16.889 -0.578 0.000) 16.899 13.375 ( 12.698 3.960 0.000) 13.301 13.575 ( 2.377 8.310 0.000) 8.643 13.687 ( -0.664 -2.772 0.000) 2.850 13.938 ( -8.111 -3.817 0.000) 8.965 14.006 ( 20.503 3.020 0.000) 20.724 14.221 ( 0.549 -10.490 0.000) 10.505 14.496 ( 2.626 -9.340 0.000) 9.702 14.836 ( 21.332 0.341 0.000) 21.334 14.865 ( 25.736 3.010 0.000) 25.912 15.583 ( -11.919 4.519 0.000) 12.747 15.698 ( -4.116 16.918 0.000) 17.411 15.812 ( -17.946 2.756 0.000) 18.156 15.910 ( -9.589 2.967 0.000) 10.038 16.293 ( 4.913 -9.558 0.000) 10.747 17.019 ( 16.665 11.879 0.000) 20.466 17.613 ( -18.847 7.909 0.000) 20.439 17.833 ( 13.223 -18.526 0.000) 22.761 17.933 ( 5.786 -28.375 0.000) 28.959 18.257 ( 0.163 7.831 0.000) 7.833 18.407 ( -16.976 5.018 0.000) 17.702 18.487 ( -3.498 -25.710 0.000) 25.947 18.949 ( -18.591 -8.740 0.000) 20.543 18.970 ( -6.463 -16.220 0.000) 17.460 21.205 ( 8.942 21.932 0.000) 23.685 21.320 ( 6.501 14.529 0.000) 15.917 21.662 ( 1.971 1.819 0.000) 2.682 22.085 ( -6.548 -2.834 0.000) 7.135 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 19.243 4.783 0.000) 19.829 2.337 ( 17.324 11.342 0.000) 20.706 2.996 ( 1.991 -7.253 0.000) 7.521 3.226 ( 3.479 -7.492 0.000) 8.260 3.381 ( -7.497 0.270 0.000) 7.502 3.477 ( -1.543 -5.400 0.000) 5.616 3.478 ( -1.288 -5.027 0.000) 5.190 3.593 ( -6.859 -8.101 0.000) 10.615 4.066 ( -3.712 5.230 0.000) 6.413 4.161 ( -3.301 3.255 0.000) 4.636 4.283 ( -8.442 -0.623 0.000) 8.465 4.336 ( -7.620 2.220 0.000) 7.937 7.274 ( 5.569 27.456 0.000) 28.015 7.306 ( 18.014 2.177 0.000) 18.145 7.375 ( 11.613 2.113 0.000) 11.804 8.250 ( 0.918 -2.803 0.000) 2.949 8.356 ( 8.465 -0.896 0.000) 8.512 8.691 ( 18.393 0.742 0.000) 18.408 9.137 ( -17.283 1.535 0.000) 17.351 9.314 ( 20.050 -8.432 0.000) 21.751 9.422 ( -9.907 -2.011 0.000) 10.109 9.949 ( 17.888 -11.290 0.000) 21.153 10.478 ( -2.167 2.435 0.000) 3.260 10.592 ( -16.847 8.924 0.000) 19.064 10.827 ( -5.627 3.829 0.000) 6.806 10.912 ( 3.460 -9.131 0.000) 9.765 11.082 ( -1.360 2.849 0.000) 3.157 11.485 ( -8.714 -0.561 0.000) 8.732 12.139 ( -9.372 20.534 0.000) 22.572 12.232 ( -16.357 9.472 0.000) 18.902 12.957 ( 0.540 -11.539 0.000) 11.552 13.081 ( -0.827 -11.239 0.000) 11.269 13.450 ( 16.721 -2.112 0.000) 16.854 13.618 ( 0.887 6.820 0.000) 6.878 13.624 ( 11.844 -3.376 0.000) 12.316 13.679 ( 1.346 11.744 0.000) 11.821 13.877 ( 4.155 5.413 0.000) 6.824 14.225 ( 0.083 -12.027 0.000) 12.028 14.453 ( 21.645 5.667 0.000) 22.374 14.538 ( -0.465 -11.496 0.000) 11.506 15.150 ( 6.754 0.287 0.000) 6.760 15.233 ( -15.704 3.633 0.000) 16.119 15.238 ( -10.714 -2.179 0.000) 10.933 15.534 ( -10.486 4.289 0.000) 11.330 15.687 ( 25.668 10.764 0.000) 27.834 15.993 ( 11.785 21.725 0.000) 24.715 16.497 ( 14.857 -9.593 0.000) 17.685 17.233 ( -15.504 10.122 0.000) 18.516 17.381 ( 17.711 3.921 0.000) 18.140 17.804 ( -22.388 2.707 0.000) 22.551 18.047 ( 5.190 -29.239 0.000) 29.696 18.209 ( -5.191 -4.109 0.000) 6.620 18.219 ( 4.205 -9.819 0.000) 10.682 18.434 ( -1.771 -22.726 0.000) 22.795 18.497 ( -23.270 -10.188 0.000) 25.403 18.768 ( -11.971 -13.684 0.000) 18.181 21.401 ( 9.242 15.949 0.000) 18.433 21.471 ( 7.744 12.441 0.000) 14.654 21.690 ( 0.434 3.603 0.000) 3.629 21.948 ( -6.752 1.792 0.000) 6.986 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 12.733 -2.063 0.000) 12.899 2.646 ( 10.196 2.591 0.000) 10.520 3.025 ( 0.879 -3.373 0.000) 3.486 3.138 ( -10.082 3.479 0.000) 10.665 3.336 ( 2.416 -17.553 0.000) 17.719 3.381 ( -4.363 -10.194 0.000) 11.089 3.452 ( 0.381 -0.916 0.000) 0.992 3.513 ( -3.281 -5.604 0.000) 6.494 4.012 ( -0.387 4.230 0.000) 4.248 4.065 ( -4.759 3.195 0.000) 5.732 4.178 ( -1.269 0.885 0.000) 1.548 4.214 ( -4.140 1.972 0.000) 4.586 7.418 ( 6.504 19.990 0.000) 21.021 7.476 ( 1.882 10.393 0.000) 10.562 7.752 ( 19.095 -1.251 0.000) 19.136 8.092 ( -12.752 -3.870 0.000) 13.326 8.553 ( 8.832 0.783 0.000) 8.866 8.785 ( -14.450 1.689 0.000) 14.548 9.069 ( 14.053 -2.819 0.000) 14.333 9.262 ( -6.790 -5.893 0.000) 8.991 9.678 ( 19.769 1.557 0.000) 19.830 10.162 ( -23.758 10.759 0.000) 26.080 10.467 ( 16.330 -5.096 0.000) 17.107 10.562 ( 20.885 4.150 0.000) 21.294 10.663 ( -9.163 3.217 0.000) 9.712 11.002 ( 4.837 -8.890 0.000) 10.121 11.048 ( -5.796 -4.280 0.000) 7.205 11.167 ( -19.892 -0.382 0.000) 19.896 11.969 ( -6.357 14.852 0.000) 16.156 11.975 ( -5.465 19.805 0.000) 20.546 12.957 ( 1.158 -15.919 0.000) 15.961 13.019 ( -4.042 -15.334 0.000) 15.858 13.632 ( 0.824 9.876 0.000) 9.910 13.643 ( 0.522 11.405 0.000) 11.417 13.767 ( 10.274 -4.174 0.000) 11.090 13.934 ( -3.691 1.910 0.000) 4.156 13.978 ( 19.155 -0.153 0.000) 19.156 14.330 ( 1.669 -5.777 0.000) 6.013 14.395 ( -2.033 -10.401 0.000) 10.598 14.765 ( -16.003 -12.211 0.000) 20.129 14.911 ( 11.634 15.196 0.000) 19.138 15.075 ( -0.115 4.844 0.000) 4.845 15.188 ( -2.842 3.828 0.000) 4.768 15.281 ( -13.345 6.366 0.000) 14.785 16.295 ( 16.211 19.610 0.000) 25.443 16.421 ( 37.803 7.041 0.000) 38.453 16.613 ( -10.813 10.860 0.000) 15.325 17.184 ( -34.314 5.886 0.000) 34.815 17.252 ( 22.342 -5.411 0.000) 22.988 17.740 ( 15.479 -6.394 0.000) 16.747 17.834 ( -26.913 -11.604 0.000) 29.308 18.037 ( -11.342 -15.284 0.000) 19.032 18.264 ( 6.052 -11.570 0.000) 13.058 18.366 ( 5.595 -21.663 0.000) 22.374 18.387 ( -3.686 -7.852 0.000) 8.675 18.520 ( -10.404 -19.826 0.000) 22.390 21.568 ( 6.427 10.566 0.000) 12.368 21.630 ( 6.054 9.235 0.000) 11.042 21.674 ( -0.832 6.687 0.000) 6.739 21.801 ( -7.359 5.820 0.000) 9.382 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 0.000 28.960 0.000) 28.960 2.343 ( 0.000 30.942 0.000) 30.942 2.645 ( 0.000 -20.403 0.000) 20.403 2.858 ( 0.000 -21.028 0.000) 21.028 3.308 ( 0.000 31.081 0.000) 31.081 3.584 ( 0.000 9.999 0.000) 9.999 3.675 ( 0.000 -7.961 0.000) 7.961 3.796 ( 0.000 -11.045 0.000) 11.045 4.268 ( 0.000 4.531 0.000) 4.531 4.363 ( 0.000 9.288 0.000) 9.288 4.484 ( 0.000 -15.843 0.000) 15.843 4.545 ( 0.000 -9.095 0.000) 9.095 6.652 ( 0.000 7.644 0.000) 7.644 6.799 ( 0.000 -7.079 0.000) 7.079 7.328 ( 0.000 7.300 0.000) 7.300 7.496 ( 0.000 -9.623 0.000) 9.623 8.202 ( 0.000 7.130 0.000) 7.130 8.301 ( 0.000 -2.509 0.000) 2.509 8.843 ( 0.000 14.678 0.000) 14.678 9.228 ( 0.000 -24.445 0.000) 24.445 9.726 ( 0.000 14.633 0.000) 14.633 10.070 ( 0.000 -20.210 0.000) 20.210 10.802 ( 0.000 7.927 0.000) 7.927 10.805 ( 0.000 4.051 0.000) 4.051 10.874 ( 0.000 -3.263 0.000) 3.263 10.937 ( 0.000 -6.222 0.000) 6.222 11.642 ( 0.000 23.141 0.000) 23.141 11.967 ( 0.000 -8.718 0.000) 8.718 12.431 ( 0.000 9.538 0.000) 9.538 12.645 ( 0.000 6.205 0.000) 6.205 12.654 ( 0.000 -12.173 0.000) 12.173 12.708 ( 0.000 -1.231 0.000) 1.231 12.959 ( 0.000 2.215 0.000) 2.215 12.974 ( 0.000 0.615 0.000) 0.615 13.352 ( 0.000 4.261 0.000) 4.261 13.498 ( 0.000 -10.060 0.000) 10.060 13.709 ( 0.000 8.701 0.000) 8.701 13.866 ( 0.000 -8.254 0.000) 8.254 14.236 ( 0.000 -2.046 0.000) 2.046 14.286 ( 0.000 -6.638 0.000) 6.638 14.305 ( 0.000 4.777 0.000) 4.777 14.370 ( 0.000 -1.608 0.000) 1.608 16.116 ( 0.000 26.850 0.000) 26.850 16.143 ( 0.000 -0.946 0.000) 0.946 16.170 ( 0.000 -3.531 0.000) 3.531 16.334 ( 0.000 0.428 0.000) 0.428 16.335 ( 0.000 13.750 0.000) 13.750 16.756 ( 0.000 -21.747 0.000) 21.747 16.900 ( 0.000 3.198 0.000) 3.198 17.164 ( 0.000 -26.081 0.000) 26.081 18.253 ( 0.000 12.193 0.000) 12.193 18.456 ( 0.000 7.602 0.000) 7.602 18.469 ( 0.000 -9.042 0.000) 9.042 18.651 ( 0.000 -13.242 0.000) 13.242 18.959 ( 0.000 9.838 0.000) 9.838 19.162 ( 0.000 -10.517 0.000) 10.517 21.432 ( 0.000 10.469 0.000) 10.469 21.518 ( 0.000 24.695 0.000) 24.695 21.572 ( 0.000 -4.046 0.000) 4.046 21.957 ( 0.000 -20.034 0.000) 20.034 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 5.582 26.509 0.000) 27.090 2.308 ( -1.715 31.252 0.000) 31.299 2.669 ( 2.239 -19.022 0.000) 19.153 2.841 ( -1.347 -22.955 0.000) 22.994 3.404 ( 6.861 21.770 0.000) 22.826 3.552 ( -2.753 8.289 0.000) 8.734 3.649 ( -2.611 -5.748 0.000) 6.313 3.740 ( -5.075 -10.256 0.000) 11.443 4.278 ( 1.048 6.591 0.000) 6.674 4.340 ( -2.197 8.638 0.000) 8.913 4.486 ( -0.345 -12.565 0.000) 12.570 4.506 ( -3.707 -8.102 0.000) 8.910 6.747 ( 8.828 6.960 0.000) 11.241 6.880 ( 7.520 -6.356 0.000) 9.846 7.480 ( 13.909 9.766 0.000) 16.995 7.682 ( 16.830 -11.052 0.000) 20.134 8.105 ( -7.467 12.290 0.000) 14.380 8.285 ( -1.966 -5.703 0.000) 6.032 8.841 ( 1.615 14.611 0.000) 14.700 9.233 ( 1.124 -25.033 0.000) 25.059 9.675 ( -5.097 12.105 0.000) 13.135 9.940 ( -11.513 -14.163 0.000) 18.252 10.739 ( -5.109 4.182 0.000) 6.602 10.824 ( -4.131 -4.344 0.000) 5.995 10.850 ( 3.255 3.329 0.000) 4.656 10.928 ( -0.210 -4.628 0.000) 4.633 11.540 ( -8.449 20.174 0.000) 21.872 11.809 ( -11.356 -6.438 0.000) 13.054 12.572 ( 9.314 6.320 0.000) 11.256 12.713 ( 3.995 -7.861 0.000) 8.818 12.717 ( 2.895 6.391 0.000) 7.016 12.777 ( 7.860 -1.164 0.000) 7.946 12.984 ( 1.354 6.598 0.000) 6.736 13.112 ( 9.075 -3.432 0.000) 9.702 13.532 ( 15.381 -1.324 0.000) 15.438 13.557 ( 9.638 -4.764 0.000) 10.751 13.711 ( 0.037 8.189 0.000) 8.189 13.871 ( -0.195 -8.917 0.000) 8.919 14.179 ( -3.868 0.761 0.000) 3.942 14.283 ( -0.278 -8.540 0.000) 8.544 14.467 ( 14.602 3.518 0.000) 15.020 14.506 ( 12.857 -0.435 0.000) 12.864 15.951 ( -13.909 9.323 0.000) 16.744 16.094 ( -6.924 -0.861 0.000) 6.977 16.094 ( -18.071 -3.825 0.000) 18.471 16.122 ( -1.961 -3.782 0.000) 4.260 16.307 ( 1.636 28.875 0.000) 28.921 16.971 ( 14.443 -18.257 0.000) 23.280 17.015 ( 7.314 -2.205 0.000) 7.640 17.311 ( 13.043 -18.075 0.000) 22.290 18.117 ( -12.621 9.493 0.000) 15.792 18.292 ( -9.273 -6.829 0.000) 11.516 18.484 ( -1.617 6.948 0.000) 7.134 18.701 ( 1.880 -13.878 0.000) 14.005 18.857 ( -9.693 9.802 0.000) 13.785 19.058 ( -9.809 -10.417 0.000) 14.309 21.465 ( 3.065 10.048 0.000) 10.505 21.543 ( 2.362 23.272 0.000) 23.391 21.598 ( 2.314 -3.666 0.000) 4.335 21.948 ( -0.782 -17.825 0.000) 17.842 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 4.295 26.061 0.000) 26.412 2.377 ( 9.116 20.347 0.000) 22.296 2.733 ( 3.709 -15.400 0.000) 15.840 2.826 ( 0.511 -23.572 0.000) 23.577 3.485 ( -3.321 3.887 0.000) 5.113 3.497 ( 1.014 6.330 0.000) 6.410 3.560 ( -5.932 -1.578 0.000) 6.138 3.604 ( -7.308 -7.871 0.000) 10.740 4.270 ( -4.439 6.819 0.000) 8.137 4.300 ( 0.236 7.793 0.000) 7.797 4.394 ( -6.815 -5.624 0.000) 8.836 4.446 ( -3.798 -6.040 0.000) 7.135 7.004 ( 15.212 5.036 0.000) 16.023 7.097 ( 12.756 -4.220 0.000) 13.436 7.776 ( 6.413 23.027 0.000) 23.903 8.043 ( 9.907 5.445 0.000) 11.305 8.134 ( 22.232 -10.492 0.000) 24.584 8.236 ( -1.032 -8.091 0.000) 8.157 8.969 ( 11.451 11.577 0.000) 16.283 9.316 ( 8.058 -22.776 0.000) 24.160 9.505 ( -11.294 6.636 0.000) 13.099 9.640 ( -15.957 -6.738 0.000) 17.321 10.630 ( -4.662 4.867 0.000) 6.739 10.745 ( -2.667 -6.460 0.000) 6.989 10.870 ( -1.391 3.140 0.000) 3.434 10.946 ( 0.105 -4.031 0.000) 4.032 11.349 ( -8.789 16.047 0.000) 18.296 11.583 ( -9.516 -6.677 0.000) 11.625 12.657 ( -4.179 6.713 0.000) 7.908 12.682 ( -6.004 15.001 0.000) 16.158 12.775 ( 1.505 -5.679 0.000) 5.875 12.904 ( 0.975 -8.003 0.000) 8.062 13.122 ( 12.940 4.317 0.000) 13.641 13.268 ( 8.036 -9.823 0.000) 12.691 13.715 ( 0.831 6.186 0.000) 6.242 13.807 ( 14.087 10.586 0.000) 17.621 13.844 ( -0.699 -6.567 0.000) 6.604 13.981 ( 21.664 -5.799 0.000) 22.427 14.130 ( -0.853 3.280 0.000) 3.389 14.291 ( 1.043 -10.784 0.000) 10.835 14.855 ( 20.328 1.582 0.000) 20.389 14.884 ( 21.945 -0.769 0.000) 21.959 15.637 ( -15.597 3.683 0.000) 16.026 15.728 ( -14.973 -5.101 0.000) 15.818 15.913 ( -8.373 7.643 0.000) 11.337 16.095 ( 0.917 -10.327 0.000) 10.368 16.395 ( 6.270 35.313 0.000) 35.865 17.111 ( 5.228 -31.913 0.000) 32.339 17.329 ( 16.394 7.825 0.000) 18.166 17.603 ( 13.131 -14.867 0.000) 19.836 17.799 ( -16.422 11.443 0.000) 20.015 18.073 ( -11.575 -17.073 0.000) 20.627 18.439 ( -2.592 10.734 0.000) 11.043 18.564 ( -18.024 9.584 0.000) 20.414 18.677 ( -4.272 -13.635 0.000) 14.289 18.760 ( -18.486 -10.193 0.000) 21.110 21.551 ( 4.924 8.794 0.000) 10.079 21.612 ( 3.951 19.109 0.000) 19.513 21.660 ( 3.371 -2.491 0.000) 4.192 21.928 ( -1.176 -12.723 0.000) 12.777 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 9.583 17.065 0.000) 19.572 2.577 ( 9.456 12.784 0.000) 15.901 2.816 ( 4.064 -11.109 0.000) 11.829 2.874 ( 3.900 -21.794 0.000) 22.140 3.406 ( -7.925 2.912 0.000) 8.443 3.414 ( -4.352 -0.441 0.000) 4.374 3.461 ( -3.986 -1.975 0.000) 4.448 3.461 ( -5.353 -5.001 0.000) 7.326 4.167 ( -4.893 4.812 0.000) 6.862 4.246 ( -6.443 -3.084 0.000) 7.143 4.257 ( -4.410 5.462 0.000) 7.020 4.337 ( -6.131 -2.207 0.000) 6.517 7.353 ( 17.259 2.384 0.000) 17.423 7.387 ( 14.584 -0.808 0.000) 14.607 7.790 ( -0.160 23.415 0.000) 23.416 8.127 ( -3.987 -10.878 0.000) 11.585 8.414 ( 14.029 6.750 0.000) 15.569 8.596 ( 18.386 -9.967 0.000) 20.914 9.207 ( -16.327 5.413 0.000) 17.201 9.329 ( -13.288 -6.420 0.000) 14.758 9.330 ( 22.770 10.707 0.000) 25.162 9.640 ( 24.276 -18.258 0.000) 30.376 10.578 ( 0.417 7.007 0.000) 7.020 10.734 ( 1.936 -8.784 0.000) 8.995 10.767 ( -9.790 7.734 0.000) 12.476 10.872 ( -6.855 -1.903 0.000) 7.115 11.189 ( -7.329 10.175 0.000) 12.540 11.400 ( -9.953 -8.639 0.000) 13.179 12.454 ( -11.932 12.905 0.000) 17.576 12.522 ( -8.378 18.245 0.000) 20.076 12.715 ( -6.083 -13.230 0.000) 14.562 12.839 ( -5.751 -14.089 0.000) 15.217 13.432 ( 15.257 0.767 0.000) 15.277 13.492 ( 12.695 -5.478 0.000) 13.827 13.764 ( 4.126 8.633 0.000) 9.568 13.936 ( 9.464 -5.915 0.000) 11.160 14.033 ( 6.993 19.220 0.000) 20.453 14.096 ( -3.351 5.124 0.000) 6.123 14.298 ( -1.442 -12.374 0.000) 12.457 14.368 ( 13.752 -13.159 0.000) 19.033 15.163 ( 4.840 2.925 0.000) 5.655 15.221 ( 5.561 -1.975 0.000) 5.901 15.341 ( -11.228 7.042 0.000) 13.254 15.483 ( -9.368 -6.582 0.000) 11.449 15.965 ( 19.885 16.465 0.000) 25.817 16.272 ( 18.349 -13.913 0.000) 23.027 16.559 ( 9.346 33.762 0.000) 35.032 17.231 ( 6.298 -30.638 0.000) 31.279 17.465 ( -15.146 14.467 0.000) 20.945 17.641 ( 12.303 2.238 0.000) 12.505 17.775 ( -2.062 -6.364 0.000) 6.690 17.827 ( -11.633 -22.789 0.000) 25.587 18.172 ( -13.845 3.820 0.000) 14.362 18.310 ( -23.341 -8.930 0.000) 24.991 18.374 ( -3.777 5.866 0.000) 6.977 18.534 ( -9.027 -10.238 0.000) 13.649 21.660 ( 5.280 6.613 0.000) 8.463 21.695 ( 3.683 13.342 0.000) 13.842 21.727 ( 2.760 -0.382 0.000) 2.787 21.897 ( -1.878 -6.849 0.000) 7.102 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 7.897 9.079 0.000) 12.033 2.732 ( 3.765 6.658 0.000) 7.648 2.899 ( 3.957 -9.269 0.000) 10.079 2.946 ( 1.166 -17.015 0.000) 17.055 3.267 ( -3.599 5.740 0.000) 6.775 3.296 ( -5.224 1.916 0.000) 5.565 3.384 ( -2.250 -5.506 0.000) 5.948 3.391 ( -2.324 -6.411 0.000) 6.819 4.100 ( -0.659 4.289 0.000) 4.340 4.149 ( -4.766 4.506 0.000) 6.559 4.165 ( -0.689 -2.132 0.000) 2.240 4.215 ( -4.872 -1.869 0.000) 5.218 7.641 ( 10.213 6.084 0.000) 11.887 7.719 ( 15.660 -2.407 0.000) 15.844 7.774 ( -2.684 15.094 0.000) 15.331 7.989 ( -9.704 -7.376 0.000) 12.189 8.642 ( 9.714 8.871 0.000) 13.155 8.878 ( 9.956 -13.615 0.000) 16.867 8.882 ( -13.839 8.226 0.000) 16.099 9.081 ( -10.508 -11.090 0.000) 15.277 9.893 ( 29.292 17.282 0.000) 34.011 10.243 ( 28.921 -16.430 0.000) 33.262 10.443 ( -21.491 15.616 0.000) 26.565 10.672 ( -12.864 -5.331 0.000) 13.925 10.679 ( 10.274 7.215 0.000) 12.554 10.833 ( 7.628 -8.369 0.000) 11.324 10.989 ( -13.057 0.989 0.000) 13.094 11.088 ( -18.359 -6.633 0.000) 19.520 12.294 ( -1.777 17.602 0.000) 17.692 12.359 ( -6.562 19.058 0.000) 20.156 12.635 ( 0.094 -17.076 0.000) 17.077 12.709 ( -5.861 -16.748 0.000) 17.743 13.725 ( 12.641 0.259 0.000) 12.644 13.753 ( 10.630 -0.901 0.000) 10.668 13.846 ( 1.732 10.603 0.000) 10.743 13.954 ( -8.805 -0.010 0.000) 8.805 14.119 ( 2.598 15.365 0.000) 15.583 14.210 ( 1.039 -5.724 0.000) 5.818 14.214 ( 7.204 -6.842 0.000) 9.935 14.461 ( -6.099 -17.678 0.000) 18.701 15.162 ( 1.776 8.766 0.000) 8.944 15.202 ( -2.395 7.158 0.000) 7.548 15.240 ( -1.131 0.286 0.000) 1.167 15.310 ( -7.359 -2.857 0.000) 7.894 16.596 ( 34.600 11.082 0.000) 36.331 16.767 ( 21.154 -1.275 0.000) 21.192 16.770 ( 9.969 28.311 0.000) 30.015 17.221 ( -3.187 8.718 0.000) 9.282 17.276 ( -20.161 -7.403 0.000) 21.477 17.446 ( -3.297 -12.082 0.000) 12.524 17.580 ( -23.389 -12.615 0.000) 26.574 17.599 ( -9.956 -25.357 0.000) 27.242 18.078 ( 7.491 0.425 0.000) 7.503 18.166 ( 6.020 -6.803 0.000) 9.084 18.274 ( -6.479 -1.076 0.000) 6.568 18.321 ( -10.334 -5.088 0.000) 11.519 21.754 ( 1.734 7.667 0.000) 7.860 21.758 ( 2.564 3.725 0.000) 4.522 21.771 ( 2.707 2.476 0.000) 3.669 21.845 ( -3.122 -1.371 0.000) 3.410 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 0.000 35.001) 35.001 0.805 ( 0.000 0.000 40.178) 40.178 1.298 ( 0.000 0.000 63.750) 63.750 2.990 ( 0.000 0.000 3.230) 3.230 3.398 ( 0.000 0.000 -9.533) 9.533 3.483 ( 0.000 0.000 0.723) 0.723 3.747 ( 0.000 0.000 -0.100) 0.100 4.016 ( 0.000 0.000 -1.612) 1.612 4.154 ( 0.000 0.000 -3.444) 3.444 4.308 ( 0.000 0.000 -5.195) 5.195 4.851 ( 0.000 0.000 -1.529) 1.529 4.889 ( 0.000 0.000 -13.160) 13.160 6.196 ( 0.000 0.000 3.633) 3.633 7.204 ( 0.000 0.000 19.093) 19.093 7.204 ( 0.000 0.000 5.989) 5.989 7.935 ( 0.000 0.000 7.588) 7.588 8.116 ( 0.000 0.000 -5.556) 5.556 8.276 ( 0.000 0.000 1.012) 1.012 8.370 ( 0.000 0.000 -4.547) 4.547 9.419 ( 0.000 0.000 0.811) 0.811 10.216 ( 0.000 0.000 -8.054) 8.054 10.226 ( 0.000 0.000 -8.167) 8.167 10.529 ( 0.000 0.000 -6.217) 6.217 10.655 ( 0.000 0.000 1.955) 1.955 11.119 ( 0.000 0.000 -3.632) 3.632 11.328 ( 0.000 0.000 2.616) 2.616 11.368 ( 0.000 0.000 -5.461) 5.461 11.755 ( 0.000 0.000 4.490) 4.490 12.048 ( 0.000 0.000 15.342) 15.342 12.249 ( 0.000 0.000 1.248) 1.248 12.761 ( 0.000 0.000 0.134) 0.134 12.796 ( 0.000 0.000 6.553) 6.553 12.914 ( 0.000 0.000 -5.643) 5.643 13.353 ( 0.000 0.000 -1.622) 1.622 13.374 ( 0.000 0.000 5.170) 5.170 13.416 ( 0.000 0.000 8.081) 8.081 13.722 ( 0.000 0.000 -4.246) 4.246 14.038 ( 0.000 0.000 0.128) 0.128 14.057 ( 0.000 0.000 -1.569) 1.569 14.221 ( 0.000 0.000 -4.029) 4.029 14.408 ( 0.000 0.000 -2.391) 2.391 14.617 ( 0.000 0.000 8.231) 8.231 15.224 ( 0.000 0.000 10.803) 10.803 15.761 ( 0.000 0.000 -2.609) 2.609 15.925 ( 0.000 0.000 -23.235) 23.235 16.121 ( 0.000 0.000 -16.378) 16.378 16.279 ( 0.000 0.000 -6.541) 6.541 17.094 ( 0.000 0.000 12.068) 12.068 17.636 ( 0.000 0.000 23.684) 23.684 18.087 ( 0.000 0.000 -6.205) 6.205 18.193 ( 0.000 0.000 -24.427) 24.427 18.681 ( 0.000 0.000 -3.068) 3.068 18.894 ( 0.000 0.000 -1.375) 1.375 18.902 ( 0.000 0.000 0.472) 0.472 19.474 ( 0.000 0.000 -2.011) 2.011 19.753 ( 0.000 0.000 -7.609) 7.609 20.236 ( 0.000 0.000 21.995) 21.995 20.673 ( 0.000 0.000 3.391) 3.391 21.570 ( 0.000 0.000 1.674) 1.674 22.171 ( 0.000 0.000 -3.969) 3.969 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 23.315 0.000 21.293) 31.575 1.215 ( 31.726 0.000 24.593) 40.142 1.824 ( 39.657 0.000 44.290) 59.450 3.019 ( 2.684 0.000 3.039) 4.055 3.413 ( -0.258 0.000 -7.223) 7.227 3.450 ( 0.425 0.000 -3.842) 3.865 3.744 ( -1.947 0.000 -1.030) 2.203 4.003 ( -0.276 0.000 -0.305) 0.412 4.103 ( -4.713 0.000 -3.428) 5.828 4.276 ( -2.469 0.000 -5.608) 6.127 4.756 ( -11.979 0.000 -11.312) 16.476 4.773 ( -7.384 0.000 -0.715) 7.418 6.254 ( 5.389 0.000 3.756) 6.569 6.759 ( -9.638 0.000 15.776) 18.488 7.239 ( 3.420 0.000 17.939) 18.262 8.058 ( 10.290 0.000 5.297) 11.574 8.357 ( 1.550 0.000 -6.464) 6.647 8.447 ( 16.429 0.000 2.559) 16.627 8.452 ( 8.267 0.000 6.533) 10.537 9.391 ( -2.533 0.000 0.791) 2.653 10.047 ( -14.922 0.000 -6.407) 16.240 10.145 ( -6.240 0.000 -13.348) 14.735 10.668 ( 1.383 0.000 0.782) 1.589 10.679 ( 9.174 0.000 -5.594) 10.745 10.958 ( -12.363 0.000 -4.927) 13.309 11.326 ( -4.298 0.000 4.694) 6.364 11.415 ( 3.235 0.000 -5.849) 6.684 11.578 ( -12.132 0.000 13.628) 18.246 11.992 ( -4.880 0.000 14.010) 14.836 12.278 ( 3.190 0.000 -3.453) 4.701 12.800 ( 4.029 0.000 0.456) 4.055 12.867 ( 8.809 0.000 -0.568) 8.827 12.941 ( 2.829 0.000 -5.848) 6.496 13.236 ( -0.899 0.000 10.165) 10.204 13.292 ( -1.825 0.000 -2.740) 3.292 13.516 ( 9.533 0.000 7.842) 12.344 13.964 ( -8.798 0.000 -12.661) 15.418 14.085 ( 17.251 0.000 -11.451) 20.706 14.205 ( -0.207 0.000 0.579) 0.614 14.404 ( 19.470 0.000 -11.899) 22.818 14.452 ( 2.339 0.000 -4.278) 4.876 14.731 ( 12.177 0.000 15.528) 19.733 15.150 ( -5.122 0.000 10.491) 11.675 15.749 ( -1.270 0.000 -1.518) 1.979 15.857 ( -7.796 0.000 -21.023) 22.422 16.097 ( -10.079 0.000 -18.378) 20.960 16.291 ( 8.837 0.000 -4.645) 9.983 16.873 ( -9.158 0.000 20.746) 22.677 17.738 ( -22.393 0.000 -18.013) 28.739 17.947 ( 19.471 0.000 17.932) 26.470 18.299 ( -8.670 0.000 15.518) 17.776 18.322 ( 1.794 0.000 -7.414) 7.628 18.909 ( 1.269 0.000 -0.449) 1.346 19.262 ( 3.136 0.000 -11.354) 11.779 19.462 ( -1.183 0.000 -1.592) 1.984 19.658 ( -8.096 0.000 -7.556) 11.074 20.353 ( 10.649 0.000 16.065) 19.274 20.704 ( 3.373 0.000 1.069) 3.538 21.574 ( 0.281 0.000 0.906) 0.949 22.003 ( -9.599 0.000 -1.850) 9.775 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 27.463 0.000 7.378) 28.437 1.916 ( 33.068 0.000 12.053) 35.196 2.606 ( 30.250 0.000 27.007) 40.552 3.091 ( 3.910 0.000 2.566) 4.677 3.386 ( -1.931 0.000 -6.304) 6.593 3.499 ( 1.798 0.000 -6.551) 6.794 3.724 ( 3.633 0.000 -3.300) 4.908 3.973 ( -7.245 0.000 -3.383) 7.995 3.992 ( -1.496 0.000 2.007) 2.503 4.208 ( -4.224 0.000 -6.610) 7.844 4.437 ( -17.257 0.000 -7.929) 18.991 4.568 ( -11.119 0.000 2.260) 11.347 6.412 ( 9.696 0.000 4.222) 10.575 6.851 ( 14.438 0.000 3.117) 14.771 7.334 ( 4.900 0.000 16.232) 16.956 8.291 ( 10.773 0.000 2.112) 10.979 8.383 ( 1.423 0.000 1.863) 2.344 8.561 ( 4.540 0.000 11.399) 12.270 8.944 ( 30.070 0.000 2.944) 30.213 9.338 ( -1.943 0.000 0.805) 2.103 9.657 ( -21.074 0.000 -2.839) 21.264 10.004 ( -6.944 0.000 -13.221) 14.934 10.606 ( -18.332 0.000 -11.560) 21.673 10.724 ( 4.281 0.000 -0.791) 4.354 10.838 ( 1.894 0.000 -1.367) 2.336 11.181 ( -7.129 0.000 10.534) 12.719 11.320 ( -11.476 0.000 14.300) 18.336 11.446 ( -1.110 0.000 -6.773) 6.864 11.852 ( -8.886 0.000 10.858) 14.031 12.313 ( -3.293 0.000 -3.335) 4.687 12.950 ( 9.248 0.000 -6.801) 11.480 13.052 ( 7.357 0.000 -3.741) 8.254 13.063 ( 10.376 0.000 -4.100) 11.157 13.279 ( 0.351 0.000 -6.541) 6.551 13.328 ( 9.094 0.000 -0.402) 9.102 13.720 ( -5.786 0.000 -10.774) 12.229 13.788 ( 9.717 0.000 8.620) 12.990 14.167 ( -5.592 0.000 2.966) 6.330 14.436 ( 14.901 0.000 -6.236) 16.153 14.553 ( 9.446 0.000 -8.005) 12.382 14.699 ( 9.154 0.000 -11.854) 14.977 15.098 ( 2.104 0.000 14.532) 14.683 15.114 ( 23.209 0.000 20.453) 30.935 15.634 ( -13.707 0.000 -15.254) 20.508 15.697 ( -23.750 0.000 -14.017) 27.578 15.711 ( -1.735 0.000 0.942) 1.974 16.531 ( 10.481 0.000 -3.109) 10.932 16.927 ( 14.794 0.000 14.576) 20.768 17.232 ( -25.326 0.000 -18.735) 31.503 18.215 ( -12.127 0.000 2.704) 12.425 18.223 ( 4.672 0.000 11.807) 12.698 18.343 ( 11.768 0.000 17.600) 21.171 18.952 ( 3.189 0.000 1.170) 3.397 19.072 ( -17.461 0.000 -3.656) 17.839 19.423 ( -2.554 0.000 -0.595) 2.622 19.426 ( -14.594 0.000 -3.647) 15.042 20.642 ( 15.972 0.000 5.887) 17.022 20.814 ( 7.022 0.000 -3.609) 7.895 21.575 ( -0.458 0.000 -0.944) 1.049 21.826 ( -8.008 0.000 -7.066) 10.680 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 25.459 0.000 0.271) 25.461 2.534 ( 25.304 0.000 5.618) 25.920 3.010 ( 9.617 0.000 10.962) 14.583 3.161 ( 2.158 0.000 2.040) 2.970 3.290 ( -6.522 0.000 -1.976) 6.815 3.523 ( 1.110 0.000 -9.363) 9.428 3.827 ( -6.051 0.000 -3.311) 6.898 3.855 ( -0.282 0.000 -4.249) 4.258 3.985 ( 5.390 0.000 4.635) 7.108 4.089 ( -15.114 0.000 -5.417) 16.055 4.090 ( -5.860 0.000 -6.177) 8.514 4.376 ( -6.241 0.000 8.539) 10.577 6.659 ( 13.984 0.000 5.008) 14.854 7.266 ( 23.866 0.000 -1.217) 23.897 7.397 ( -0.227 0.000 13.898) 13.900 8.391 ( -2.302 0.000 3.685) 4.345 8.486 ( 8.076 0.000 1.593) 8.231 8.712 ( 11.007 0.000 11.626) 16.010 9.214 ( -19.552 0.000 1.751) 19.630 9.316 ( -0.643 0.000 1.486) 1.619 9.648 ( 35.315 0.000 -0.234) 35.316 9.863 ( -6.279 0.000 -12.252) 13.767 10.205 ( -18.550 0.000 -17.244) 25.327 10.749 ( -8.077 0.000 8.995) 12.089 10.853 ( 8.079 0.000 -1.792) 8.275 10.984 ( -12.277 0.000 11.286) 16.676 11.262 ( 5.757 0.000 8.555) 10.312 11.348 ( -9.062 0.000 -6.432) 11.112 11.602 ( -14.916 0.000 4.094) 15.467 12.095 ( -15.765 0.000 2.660) 15.988 13.152 ( 2.644 0.000 -7.566) 8.015 13.196 ( 13.428 0.000 -11.082) 17.411 13.288 ( -0.192 0.000 -10.917) 10.919 13.323 ( 11.980 0.000 -7.637) 14.207 13.563 ( -3.753 0.000 -5.776) 6.888 13.604 ( 17.421 0.000 -7.163) 18.836 13.982 ( -10.783 0.000 4.392) 11.644 14.142 ( 19.039 0.000 13.489) 23.334 14.704 ( 10.575 0.000 -1.281) 10.652 14.764 ( -0.264 0.000 -8.342) 8.346 14.792 ( 9.949 0.000 -5.242) 11.246 15.110 ( -20.655 0.000 -6.854) 21.762 15.235 ( -3.497 0.000 -1.735) 3.904 15.366 ( -11.609 0.000 3.663) 12.173 15.529 ( 8.943 0.000 4.483) 10.003 15.845 ( 23.100 0.000 14.299) 27.168 16.706 ( -24.476 0.000 -17.017) 29.810 16.815 ( 19.275 0.000 0.160) 19.275 17.364 ( 24.051 0.000 5.064) 24.578 17.832 ( -24.000 0.000 9.522) 25.820 18.329 ( 5.662 0.000 11.709) 13.006 18.515 ( 0.244 0.000 13.844) 13.846 18.638 ( -19.539 0.000 0.379) 19.542 19.041 ( 5.050 0.000 1.658) 5.315 19.051 ( -20.755 0.000 0.301) 20.757 19.355 ( -3.901 0.000 0.373) 3.919 20.976 ( 15.273 0.000 -0.765) 15.292 20.991 ( 9.801 0.000 -7.146) 12.129 21.544 ( -2.820 0.000 -2.905) 4.048 21.649 ( -9.162 0.000 -9.303) 13.057 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 21.329 0.000 -2.514) 21.477 2.948 ( -13.916 0.000 -2.436) 14.128 2.951 ( 14.599 0.000 2.497) 14.811 3.147 ( -4.433 0.000 1.739) 4.762 3.301 ( 7.593 0.000 1.697) 7.780 3.475 ( -6.976 0.000 -5.699) 9.008 3.755 ( -0.103 0.000 -3.373) 3.374 3.817 ( 1.546 0.000 -7.235) 7.398 3.840 ( -8.263 0.000 -3.995) 9.178 3.913 ( -6.495 0.000 -6.971) 9.528 4.180 ( 6.501 0.000 9.966) 11.899 4.283 ( -3.871 0.000 11.518) 12.151 6.983 ( 16.230 0.000 6.330) 17.421 7.282 ( -10.894 0.000 9.552) 14.489 7.787 ( 24.464 0.000 0.322) 24.466 8.216 ( -15.165 0.000 3.015) 15.462 8.650 ( 8.372 0.000 3.800) 9.194 8.868 ( -13.214 0.000 5.201) 14.201 9.012 ( 15.934 0.000 6.862) 17.348 9.263 ( -6.344 0.000 2.431) 6.794 9.772 ( -1.058 0.000 -13.335) 13.377 9.879 ( -11.526 0.000 -16.767) 20.347 10.378 ( 33.492 0.000 -4.321) 33.769 10.639 ( -0.381 0.000 12.561) 12.567 10.745 ( -9.494 0.000 12.225) 15.479 10.994 ( -21.128 0.000 -5.685) 21.879 11.063 ( 7.354 0.000 -1.981) 7.616 11.301 ( -12.618 0.000 -1.260) 12.680 11.451 ( 11.733 0.000 6.262) 13.300 11.745 ( -16.217 0.000 5.226) 17.038 13.198 ( 2.389 0.000 -9.877) 10.162 13.254 ( -2.686 0.000 -11.683) 11.988 13.440 ( 8.244 0.000 -13.665) 15.959 13.493 ( 3.367 0.000 -12.542) 12.986 13.588 ( 5.397 0.000 2.392) 5.903 13.755 ( -10.072 0.000 4.261) 10.936 14.039 ( 23.423 0.000 -8.517) 24.923 14.536 ( 17.625 0.000 10.718) 20.628 14.551 ( -24.881 0.000 -9.247) 26.544 14.775 ( 2.908 0.000 -9.174) 9.624 14.822 ( -7.914 0.000 5.792) 9.808 14.876 ( -2.322 0.000 -5.911) 6.351 15.127 ( 0.691 0.000 4.841) 4.891 15.245 ( -5.707 0.000 16.681) 17.631 15.745 ( 16.069 0.000 -10.405) 19.144 16.148 ( -18.577 0.000 -12.056) 22.146 16.558 ( 30.207 0.000 14.536) 33.522 17.242 ( -31.748 0.000 13.982) 34.690 17.329 ( 28.014 0.000 -1.072) 28.035 17.775 ( 2.029 0.000 -0.072) 2.030 18.157 ( -5.429 0.000 1.970) 5.775 18.414 ( -4.602 0.000 11.925) 12.782 18.558 ( -2.823 0.000 10.007) 10.398 18.635 ( -12.568 0.000 7.040) 14.405 19.153 ( 5.456 0.000 1.537) 5.669 19.262 ( -4.943 0.000 1.086) 5.061 21.213 ( 11.125 0.000 -9.029) 14.328 21.258 ( 11.396 0.000 -3.656) 11.968 21.442 ( -10.638 0.000 -9.675) 14.380 21.446 ( -6.734 0.000 -4.063) 7.864 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.000 23.858 24.266) 34.030 1.095 ( 0.000 32.727 20.931) 38.848 1.856 ( 0.000 43.211 43.777) 61.511 3.007 ( 0.000 0.750 2.744) 2.845 3.368 ( 0.000 -2.315 -8.818) 9.117 3.421 ( 0.000 -6.229 0.796) 6.280 3.741 ( 0.000 -0.539 -0.701) 0.884 4.050 ( 0.000 3.724 -1.617) 4.060 4.116 ( 0.000 -4.079 -4.192) 5.848 4.265 ( 0.000 -3.456 -4.144) 5.396 4.807 ( 0.000 -4.369 -1.804) 4.727 4.840 ( 0.000 -5.071 -12.013) 13.040 6.422 ( 0.000 14.008 1.907) 14.137 7.165 ( 0.000 -2.751 14.254) 14.517 7.241 ( 0.000 2.366 11.150) 11.398 7.852 ( 0.000 -3.772 0.106) 3.774 7.982 ( 0.000 -8.492 1.627) 8.647 8.282 ( 0.000 0.500 -0.035) 0.501 8.410 ( 0.000 4.108 -5.691) 7.019 9.436 ( 0.000 2.189 1.226) 2.509 10.067 ( 0.000 -13.915 -9.344) 16.761 10.343 ( 0.000 9.357 -6.198) 11.224 10.550 ( 0.000 1.863 -7.350) 7.582 10.768 ( 0.000 10.928 -0.082) 10.929 10.870 ( 0.000 -18.600 -3.913) 19.008 11.191 ( 0.000 -8.844 6.678) 11.082 11.353 ( 0.000 -6.280 9.049) 11.015 11.769 ( 0.000 7.111 -2.048) 7.400 12.207 ( 0.000 7.372 4.808) 8.801 12.303 ( 0.000 10.254 9.111) 13.717 12.791 ( 0.000 -0.403 6.061) 6.074 12.843 ( 0.000 4.663 0.529) 4.693 12.909 ( 0.000 -0.369 -5.361) 5.374 13.116 ( 0.000 -9.964 8.594) 13.158 13.358 ( 0.000 -1.063 3.523) 3.680 13.476 ( 0.000 5.421 8.668) 10.224 13.825 ( 0.000 -6.256 -8.445) 10.510 14.062 ( 0.000 0.164 -4.159) 4.163 14.093 ( 0.000 3.871 -7.501) 8.441 14.368 ( 0.000 -3.534 -4.878) 6.024 14.441 ( 0.000 14.739 1.990) 14.873 14.589 ( 0.000 -2.164 11.125) 11.333 15.298 ( 0.000 8.654 6.798) 11.005 15.776 ( 0.000 1.051 -6.949) 7.028 15.906 ( 0.000 -2.431 -26.804) 26.914 16.149 ( 0.000 3.252 -12.658) 13.069 16.327 ( 0.000 3.755 -3.755) 5.310 17.033 ( 0.000 -5.280 10.857) 12.073 17.562 ( 0.000 -7.550 22.929) 24.140 18.106 ( 0.000 1.945 -2.537) 3.197 18.187 ( 0.000 -3.394 -18.992) 19.293 18.466 ( 0.000 -19.853 24.089) 31.216 18.617 ( 0.000 -13.581 -5.939) 14.823 18.687 ( 0.000 -8.321 -2.130) 8.589 19.389 ( 0.000 -6.147 -8.772) 10.711 19.470 ( 0.000 -19.459 2.271) 19.591 20.570 ( 0.000 24.620 11.700) 27.259 20.858 ( 0.000 15.989 2.800) 16.233 21.589 ( 0.000 1.662 1.484) 2.228 22.320 ( 0.000 3.197 -11.411) 11.850 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 16.866 21.775 18.776) 33.334 1.281 ( 22.488 15.989 19.975) 34.064 2.263 ( 31.635 35.007 31.328) 56.637 3.022 ( 1.442 -0.335 2.520) 2.923 3.381 ( -0.638 -3.191 -4.821) 5.816 3.401 ( 1.169 -4.699 -4.421) 6.557 3.725 ( -2.240 -1.536 -1.398) 3.055 4.032 ( -2.867 0.730 -0.962) 3.111 4.069 ( -2.840 -1.330 -3.525) 4.718 4.240 ( -2.346 -3.263 -5.025) 6.434 4.726 ( -10.211 -3.255 -10.471) 14.984 4.734 ( -6.843 -3.794 -1.067) 7.896 6.498 ( 6.869 15.718 0.365) 17.158 6.875 ( -12.713 14.034 9.472) 21.174 7.227 ( 3.688 -1.358 18.191) 18.611 7.968 ( 9.358 -7.648 4.794) 13.002 8.252 ( 16.054 -13.208 6.568) 21.802 8.344 ( 2.025 -1.132 -3.390) 4.108 8.508 ( 10.691 3.598 0.415) 11.288 9.412 ( -2.334 2.465 1.029) 3.547 10.021 ( -4.862 -9.734 -11.028) 15.492 10.125 ( -15.928 2.651 -6.076) 17.252 10.624 ( 4.287 -2.362 -5.342) 7.245 10.783 ( 0.948 9.006 -0.666) 9.080 10.909 ( -2.183 -5.034 -2.749) 6.137 11.075 ( -6.058 -11.979 1.964) 13.567 11.337 ( -2.418 -9.162 11.586) 14.968 11.692 ( -6.424 8.893 1.602) 11.087 12.215 ( -2.817 13.365 5.457) 14.709 12.322 ( 2.558 6.809 -0.222) 7.277 12.778 ( 2.620 -1.505 0.734) 3.109 12.919 ( 3.495 -1.262 -4.952) 6.191 12.956 ( 7.832 5.024 -0.443) 9.315 13.115 ( 1.656 -4.839 6.905) 8.593 13.369 ( 0.374 3.614 0.100) 3.635 13.608 ( 8.309 4.486 4.536) 10.476 13.856 ( -0.478 -7.388 -5.781) 9.393 14.105 ( 4.874 -2.543 -8.352) 9.998 14.190 ( 8.321 3.502 -5.440) 10.540 14.393 ( 1.242 -5.452 -4.133) 6.953 14.552 ( 9.325 9.308 -1.919) 13.315 14.691 ( 10.729 -3.717 17.780) 21.096 15.271 ( -1.313 12.656 6.205) 14.156 15.736 ( -2.414 -0.992 -4.267) 5.002 15.839 ( -7.850 -2.319 -24.253) 25.597 16.115 ( -10.457 1.502 -16.361) 19.475 16.320 ( 4.301 1.738 -3.851) 6.029 16.856 ( -5.023 -0.521 20.326) 20.944 17.778 ( -20.517 3.881 -15.214) 25.835 17.873 ( 19.578 -7.807 17.292) 27.263 18.275 ( -3.507 -1.258 10.713) 11.342 18.333 ( 1.504 -2.545 -0.559) 3.009 18.653 ( -0.309 -19.504 -3.231) 19.772 18.945 ( 11.912 -25.657 1.251) 28.315 19.303 ( -8.694 -8.441 -5.898) 13.476 19.436 ( -3.607 -16.028 -1.335) 16.483 20.633 ( 6.304 22.442 9.558) 25.194 20.890 ( 3.101 15.858 0.880) 16.182 21.595 ( 0.489 1.851 0.731) 2.050 22.160 ( -11.213 7.260 -7.609) 15.373 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 22.675 13.909 7.748) 27.706 1.858 ( 29.175 0.018 14.727) 32.681 2.884 ( 22.666 21.498 17.369) 35.744 3.062 ( 2.196 -2.898 1.520) 3.941 3.374 ( 0.807 -1.785 -4.111) 4.554 3.458 ( 2.080 -3.913 -5.587) 7.131 3.673 ( -0.334 -4.794 -2.739) 5.531 3.909 ( -7.008 -4.885 -2.041) 8.783 4.036 ( -1.755 3.578 0.519) 4.019 4.170 ( -4.317 -3.164 -6.245) 8.225 4.457 ( -14.301 1.222 -7.172) 16.045 4.546 ( -10.240 -2.205 1.136) 10.536 6.655 ( 7.263 22.191 1.577) 23.402 6.888 ( 12.818 4.267 4.046) 14.102 7.339 ( 6.362 0.070 16.367) 17.560 8.201 ( 11.867 -7.806 5.502) 15.233 8.374 ( 1.288 -0.988 0.111) 1.627 8.504 ( 8.789 -4.381 8.894) 13.250 8.913 ( 27.528 -2.833 2.766) 27.811 9.344 ( -4.312 1.109 0.323) 4.464 9.707 ( -19.556 3.314 -2.121) 19.948 9.952 ( -4.159 -5.875 -10.879) 13.045 10.610 ( -15.173 0.065 -6.720) 16.595 10.701 ( -0.301 -2.276 -4.559) 5.104 10.844 ( 0.075 1.485 1.920) 2.429 11.033 ( 0.190 -8.081 3.761) 8.915 11.243 ( -7.222 -5.225 10.017) 13.409 11.555 ( -5.608 5.179 -0.201) 7.636 12.051 ( -10.967 16.602 7.950) 21.427 12.358 ( -3.422 4.667 -3.225) 6.625 12.897 ( 6.883 -3.993 -6.744) 10.431 13.041 ( 8.827 -2.481 -5.697) 10.795 13.144 ( 9.669 1.441 -3.545) 10.398 13.218 ( 7.901 2.520 -0.158) 8.295 13.374 ( 0.019 4.612 -5.489) 7.169 13.656 ( -3.707 -6.182 -8.266) 10.968 13.928 ( 9.999 8.119 6.863) 14.595 14.141 ( -1.173 0.171 4.229) 4.392 14.407 ( 6.892 -4.371 -5.525) 9.856 14.479 ( 9.700 -4.200 -4.711) 11.573 14.797 ( 13.748 6.408 -4.924) 15.947 14.988 ( 14.924 -4.175 12.697) 20.034 15.331 ( 8.812 15.397 10.874) 20.808 15.578 ( -14.154 -3.422 -12.492) 19.186 15.677 ( -14.752 0.127 -3.752) 15.222 15.757 ( -8.829 1.025 -10.836) 14.015 16.465 ( 7.654 -6.816 -1.878) 10.420 16.966 ( 12.942 5.018 11.491) 18.020 17.322 ( -21.109 8.196 -14.603) 26.944 18.171 ( -0.026 -3.252 9.285) 9.838 18.289 ( 7.125 -3.180 12.171) 14.457 18.295 ( -2.027 3.205 8.793) 9.576 18.649 ( 1.382 -26.219 0.746) 26.266 19.013 ( -15.427 -7.800 -4.354) 17.827 19.081 ( -1.206 -27.924 1.260) 27.979 19.291 ( -10.373 -11.486 -0.998) 15.509 20.830 ( 11.988 16.827 3.657) 20.982 20.988 ( 6.239 14.966 -3.027) 16.495 21.602 ( -0.051 2.442 -1.090) 2.675 21.943 ( -9.547 7.770 -8.009) 14.685 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 22.678 6.885 1.016) 23.722 2.418 ( 23.358 -6.685 9.195) 25.978 3.096 ( 0.291 -4.685 -0.944) 4.788 3.152 ( 4.786 8.185 3.376) 10.065 3.344 ( -4.309 4.508 1.805) 6.492 3.470 ( 1.499 -5.429 -9.652) 11.175 3.687 ( -3.008 -12.292 -2.650) 12.929 3.801 ( -3.941 -4.595 0.576) 6.081 3.984 ( -3.590 1.473 0.327) 3.894 4.093 ( -1.337 1.071 -3.422) 3.827 4.184 ( -9.975 5.561 -4.870) 12.415 4.360 ( -6.611 -1.354 5.990) 9.024 6.849 ( 11.880 18.424 4.652) 22.410 7.282 ( 22.284 1.960 0.458) 22.375 7.449 ( 3.349 4.353 14.146) 15.175 8.369 ( -2.948 -2.166 2.866) 4.647 8.433 ( 9.694 -4.270 2.873) 10.975 8.718 ( 13.194 1.138 9.447) 16.267 9.161 ( -14.829 -2.777 1.598) 15.172 9.395 ( -5.394 3.923 0.857) 6.724 9.519 ( 21.668 -9.669 -1.188) 23.757 9.932 ( 7.089 3.701 -8.461) 11.642 10.238 ( -18.175 4.031 -15.363) 24.137 10.644 ( -5.368 -7.801 5.076) 10.744 10.875 ( 1.966 0.154 4.874) 5.258 11.013 ( -5.082 3.795 3.475) 7.233 11.137 ( 2.173 -8.239 5.339) 10.055 11.416 ( -10.061 2.553 -3.439) 10.935 11.799 ( -12.070 17.084 3.527) 21.213 12.132 ( -15.919 4.191 2.703) 16.682 13.046 ( 5.787 -7.464 -9.406) 13.330 13.188 ( 3.214 -10.367 -10.198) 14.893 13.309 ( 3.779 9.270 -8.834) 13.352 13.352 ( 4.158 4.090 -10.806) 12.279 13.521 ( 17.723 -1.654 -3.188) 18.083 13.651 ( 4.804 1.430 0.686) 5.059 13.991 ( -4.230 -0.168 5.136) 6.655 14.274 ( 13.990 11.629 4.617) 18.769 14.490 ( 1.140 -13.359 -1.913) 13.544 14.692 ( 9.008 -2.124 0.845) 9.293 15.019 ( 3.130 4.359 -6.411) 8.360 15.129 ( -20.529 2.139 -7.887) 22.095 15.247 ( 4.428 7.636 -6.463) 10.940 15.272 ( -9.978 -5.926 -1.266) 11.674 15.646 ( 4.936 7.210 9.224) 12.706 15.894 ( 24.529 5.415 14.176) 28.844 16.633 ( -0.656 -6.366 -5.580) 8.491 16.898 ( -2.573 7.424 -10.418) 13.049 17.398 ( 21.099 3.605 6.478) 22.363 17.856 ( -23.496 2.313 9.437) 25.426 18.323 ( 3.089 -0.478 10.397) 10.857 18.448 ( -0.295 -7.168 12.108) 14.073 18.562 ( -16.829 -7.803 1.405) 18.603 18.758 ( 2.240 -23.919 -0.631) 24.032 18.940 ( -14.251 -14.619 2.816) 20.609 19.109 ( -4.428 -19.266 1.307) 19.812 21.097 ( 12.710 11.438 -1.729) 17.186 21.145 ( 8.719 13.285 -6.260) 17.079 21.582 ( -2.150 3.510 -3.054) 5.126 21.750 ( -9.235 7.823 -9.156) 15.176 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 19.110 2.163 -1.544) 19.294 2.790 ( 9.341 -8.634 4.088) 13.361 3.016 ( -7.161 1.174 -3.944) 8.259 3.087 ( -6.864 -3.857 -0.058) 7.873 3.376 ( 5.738 3.901 -0.677) 6.972 3.475 ( -2.287 -1.995 -6.198) 6.901 3.630 ( -0.639 -10.513 -1.135) 10.593 3.683 ( -5.412 -6.844 -0.512) 8.741 3.911 ( -1.137 2.840 -4.334) 5.305 3.970 ( -6.222 3.450 -5.149) 8.782 4.186 ( 3.696 0.678 6.248) 7.291 4.260 ( -3.726 -1.848 8.515) 9.476 7.133 ( 14.300 14.489 6.496) 21.369 7.383 ( -7.955 9.436 10.186) 16.003 7.794 ( 22.965 0.747 1.921) 23.057 8.195 ( -14.227 -1.892 3.535) 14.782 8.618 ( 8.853 -2.702 3.875) 10.035 8.839 ( -12.625 -2.288 4.866) 13.722 9.056 ( 15.704 3.914 5.327) 17.038 9.295 ( -6.271 1.950 1.434) 6.722 9.700 ( 3.670 -6.297 -9.479) 11.957 9.886 ( -14.379 1.943 -15.389) 21.151 10.393 ( 26.237 1.411 -6.332) 27.027 10.580 ( 0.423 -4.347 7.178) 8.403 10.767 ( -5.006 2.066 11.218) 12.457 11.059 ( -17.287 1.499 -3.780) 17.759 11.088 ( 2.180 3.945 -1.555) 4.768 11.189 ( -0.723 -7.876 1.428) 8.037 11.644 ( -0.380 15.510 2.801) 15.766 11.801 ( -13.704 6.392 4.572) 15.797 13.123 ( 2.725 -9.195 -9.794) 13.707 13.179 ( -2.394 -10.077 -10.847) 14.998 13.380 ( 3.726 2.763 -7.454) 8.780 13.429 ( 0.267 1.789 -8.210) 8.407 13.770 ( 7.940 8.947 -0.079) 11.962 13.884 ( -0.463 4.544 -0.238) 4.574 14.012 ( 19.599 1.504 -2.517) 19.817 14.451 ( -12.543 -11.507 -3.988) 17.483 14.517 ( 5.357 -5.485 -0.535) 7.685 14.594 ( -6.674 0.948 -6.950) 9.682 14.891 ( -1.874 -1.553 -6.683) 7.113 14.980 ( -7.961 1.367 -0.317) 8.083 15.130 ( 7.249 3.552 9.503) 12.469 15.310 ( -5.936 8.902 12.288) 16.293 15.848 ( 16.808 9.380 -9.242) 21.352 16.250 ( -18.223 9.584 -11.507) 23.587 16.579 ( 31.138 2.367 15.494) 34.860 17.244 ( -15.108 -0.378 8.917) 17.547 17.325 ( 11.441 0.110 3.192) 11.878 17.787 ( 0.984 1.108 0.685) 1.633 18.062 ( -6.691 -9.249 1.964) 11.584 18.335 ( -9.051 -8.293 9.372) 15.444 18.511 ( -0.185 -4.911 10.097) 11.229 18.575 ( -9.306 -5.340 6.803) 12.704 18.909 ( 5.700 -22.219 2.728) 23.100 19.020 ( -4.750 -21.960 2.233) 22.579 21.333 ( 9.810 8.706 -5.840) 14.357 21.343 ( 9.599 9.870 -6.676) 15.301 21.503 ( -5.530 5.320 -4.333) 8.813 21.552 ( -9.684 9.118 -9.201) 16.173 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 31.781 7.184) 32.583 1.774 ( 0.000 34.641 10.816) 36.290 2.711 ( 0.000 40.717 23.327) 46.926 2.939 ( 0.000 -9.471 0.025) 9.471 3.237 ( 0.000 -12.679 1.408) 12.757 3.374 ( 0.000 4.202 -5.879) 7.226 3.729 ( 0.000 -0.600 -1.349) 1.476 3.996 ( 0.000 -7.803 -1.107) 7.882 4.147 ( 0.000 3.793 -4.559) 5.930 4.213 ( 0.000 1.000 -3.821) 3.950 4.685 ( 0.000 -9.295 -7.007) 11.640 4.692 ( 0.000 -8.685 -4.011) 9.567 6.627 ( 0.000 8.121 10.131) 12.985 7.085 ( 0.000 -5.596 15.099) 16.102 7.306 ( 0.000 4.513 10.384) 11.322 7.788 ( 0.000 -9.486 9.544) 13.456 7.923 ( 0.000 8.081 -12.122) 14.568 8.286 ( 0.000 -0.364 -2.550) 2.576 8.530 ( 0.000 8.425 -7.017) 10.965 9.525 ( 0.000 7.202 1.485) 7.353 9.681 ( 0.000 -24.341 -5.615) 24.980 10.458 ( 0.000 -20.115 -3.558) 20.427 10.514 ( 0.000 6.439 -9.419) 11.410 10.603 ( 0.000 0.622 -9.066) 9.087 11.037 ( 0.000 9.295 3.561) 9.954 11.144 ( 0.000 11.208 3.389) 11.709 11.235 ( 0.000 -4.944 14.586) 15.401 11.894 ( 0.000 3.210 -9.093) 9.643 12.290 ( 0.000 4.788 -0.297) 4.797 12.597 ( 0.000 15.039 13.660) 20.316 12.761 ( 0.000 -3.698 4.323) 5.689 12.907 ( 0.000 0.480 -4.590) 4.615 12.908 ( 0.000 1.620 1.557) 2.247 12.985 ( 0.000 -3.509 9.088) 9.742 13.339 ( 0.000 -0.679 1.810) 1.933 13.615 ( 0.000 8.635 7.696) 11.567 13.636 ( 0.000 -10.993 -6.983) 13.024 14.043 ( 0.000 -2.293 -9.179) 9.461 14.102 ( 0.000 -2.524 -7.354) 7.775 14.237 ( 0.000 -9.559 6.166) 11.375 14.570 ( 0.000 0.870 17.176) 17.198 14.622 ( 0.000 4.345 8.405) 9.461 15.603 ( 0.000 21.058 2.336) 21.187 15.787 ( 0.000 1.502 -14.679) 14.755 15.830 ( 0.000 -4.730 -29.300) 29.679 16.244 ( 0.000 5.936 -9.267) 11.005 16.404 ( 0.000 3.744 1.234) 3.942 16.946 ( 0.000 -1.976 9.127) 9.339 17.336 ( 0.000 -16.137 19.498) 25.310 17.832 ( 0.000 -30.041 2.206) 30.122 18.177 ( 0.000 5.801 3.761) 6.913 18.321 ( 0.000 0.808 6.384) 6.435 18.461 ( 0.000 0.576 -20.910) 20.918 18.605 ( 0.000 -3.764 -2.321) 4.422 19.126 ( 0.000 -14.541 5.624) 15.591 19.241 ( 0.000 -8.750 -10.566) 13.718 21.069 ( 0.000 25.551 6.312) 26.319 21.187 ( 0.000 16.044 2.067) 16.176 21.616 ( 0.000 0.483 1.309) 1.395 22.234 ( 0.000 -10.492 -5.321) 11.764 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 9.976 26.634 8.400) 29.656 1.827 ( 6.614 30.700 12.027) 33.629 2.925 ( 7.721 8.109 5.955) 12.682 2.974 ( 11.556 14.819 10.725) 21.637 3.222 ( -0.653 -12.646 1.443) 12.745 3.368 ( -0.475 1.837 -6.942) 7.197 3.699 ( -3.123 -0.964 -1.437) 3.570 3.934 ( -5.475 -7.202 -0.512) 9.061 4.142 ( -0.431 3.295 -4.524) 5.613 4.192 ( -1.952 1.844 -3.496) 4.409 4.624 ( -5.781 -7.300 -8.005) 12.280 4.633 ( -5.384 -6.455 -1.575) 8.552 6.701 ( 7.404 7.572 7.868) 13.193 7.125 ( 4.364 -2.002 11.526) 12.486 7.300 ( -1.071 16.650 7.253) 18.192 7.884 ( 2.620 2.017 1.648) 3.695 8.009 ( 17.200 -11.807 7.639) 22.217 8.316 ( 1.455 -2.049 -3.176) 4.050 8.605 ( 7.383 6.754 -2.313) 10.270 9.500 ( -2.638 6.650 1.204) 7.255 9.688 ( 0.673 -22.705 -5.493) 23.370 10.118 ( -18.595 -5.405 -4.803) 19.952 10.586 ( -1.389 -1.455 -7.429) 7.697 10.744 ( 7.524 -8.449 -5.497) 12.579 11.004 ( -4.820 2.513 7.139) 8.973 11.065 ( -5.239 18.744 -4.260) 19.923 11.196 ( -2.485 -5.094 13.085) 14.260 11.807 ( -8.208 2.340 -1.671) 8.697 12.358 ( 5.520 5.643 -5.837) 9.818 12.587 ( -1.550 13.855 6.473) 15.371 12.743 ( 0.059 -1.403 1.107) 1.788 12.889 ( 1.648 -0.882 -4.854) 5.201 12.965 ( 3.302 -3.023 4.572) 6.399 13.136 ( 11.349 4.241 5.238) 13.199 13.424 ( 5.087 1.613 -3.918) 6.620 13.566 ( -2.101 -7.578 -9.673) 12.467 13.802 ( 11.445 2.991 11.623) 16.584 14.052 ( 2.163 -2.961 -6.762) 7.693 14.196 ( 6.930 -5.082 -1.715) 8.763 14.286 ( 3.614 -4.990 -0.241) 6.166 14.631 ( 8.329 -0.402 17.746) 19.607 14.682 ( 5.865 3.817 7.579) 10.316 15.632 ( 2.193 18.963 2.393) 19.238 15.729 ( -3.314 3.239 -14.630) 15.347 15.777 ( -6.780 -1.597 -21.357) 22.464 16.136 ( -10.380 0.504 -10.694) 14.912 16.306 ( -8.525 -3.292 -2.423) 9.454 16.923 ( 6.095 8.249 16.815) 19.696 17.617 ( 17.290 -20.555 11.669) 29.285 17.811 ( -5.337 -10.983 -4.308) 12.949 18.017 ( -7.268 -9.684 2.855) 12.440 18.306 ( -0.269 3.515 8.357) 9.070 18.508 ( 0.106 -5.580 -9.695) 11.186 18.597 ( -1.624 -4.530 -2.242) 5.309 19.055 ( -6.981 -14.422 0.527) 16.031 19.198 ( -4.283 -9.671 -4.718) 11.582 21.101 ( 3.286 24.307 4.609) 24.957 21.214 ( 2.600 15.754 0.642) 15.980 21.627 ( 0.968 0.798 0.565) 1.375 22.158 ( -6.289 -6.907 -5.698) 10.942 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 15.603 15.430 9.328) 23.844 2.065 ( 15.392 20.035 8.601) 26.688 2.959 ( 0.999 -8.312 0.024) 8.372 3.181 ( 1.467 -2.193 1.424) 2.998 3.333 ( 6.104 2.841 -0.137) 6.734 3.374 ( 4.227 -2.567 -2.551) 5.564 3.588 ( -7.590 -2.223 -2.277) 8.230 3.809 ( -5.532 -5.105 2.977) 8.095 4.132 ( -1.822 6.033 -0.569) 6.328 4.138 ( -1.553 1.757 -5.955) 6.400 4.459 ( -9.507 -1.487 -5.134) 10.906 4.486 ( -8.081 -3.875 -1.143) 9.035 6.947 ( 16.028 6.519 4.129) 17.789 7.227 ( 2.458 25.856 1.434) 26.012 7.321 ( 7.190 0.568 14.478) 16.175 8.084 ( 14.640 -2.112 8.196) 16.911 8.331 ( 1.041 -4.367 -3.213) 5.521 8.402 ( 16.713 -6.201 9.415) 20.160 8.873 ( 19.213 0.305 1.964) 19.316 9.395 ( -8.087 4.134 -0.178) 9.084 9.700 ( -6.580 -9.804 -2.691) 12.110 9.754 ( -7.488 -9.565 -2.137) 12.334 10.535 ( -4.029 -3.986 -3.500) 6.661 10.766 ( -9.169 1.121 -6.869) 11.511 10.842 ( -2.917 1.091 -0.651) 3.181 11.003 ( -1.527 6.323 3.121) 7.215 11.168 ( -1.400 -1.604 6.319) 6.669 11.607 ( -9.303 0.195 -0.744) 9.334 12.378 ( -7.297 14.788 1.155) 16.531 12.493 ( -5.912 8.990 -0.881) 10.796 12.812 ( 4.735 -4.367 -6.038) 8.829 12.960 ( 2.999 -5.001 -7.307) 9.349 13.108 ( 12.082 -0.263 1.361) 12.161 13.343 ( 7.071 -0.150 -2.874) 7.634 13.501 ( 1.640 8.315 -12.289) 14.928 13.548 ( 3.553 -0.440 -1.570) 3.909 13.930 ( 0.279 -4.182 0.682) 4.246 14.238 ( 11.246 -1.168 9.729) 14.916 14.273 ( 4.089 -1.769 9.673) 10.650 14.420 ( 8.125 -2.819 -4.220) 9.580 14.862 ( 11.404 0.282 -1.581) 11.517 14.962 ( 20.302 1.126 9.142) 22.294 15.510 ( -14.154 0.277 -13.118) 19.300 15.674 ( -2.831 -0.867 -3.461) 4.554 15.692 ( -11.386 8.312 -5.237) 15.039 15.841 ( 0.842 18.669 -0.666) 18.700 16.279 ( 4.266 -11.518 -1.865) 12.424 17.133 ( 10.790 11.278 9.348) 18.193 17.515 ( -15.624 10.829 -8.710) 20.910 17.929 ( 9.515 -30.479 5.658) 32.427 18.058 ( 6.634 -17.490 12.721) 22.621 18.273 ( -3.337 2.056 2.861) 4.853 18.449 ( -7.538 6.469 2.083) 10.149 18.517 ( -2.614 -25.410 3.162) 25.739 18.821 ( -15.604 -11.836 -5.300) 20.289 19.060 ( -8.944 -11.453 2.331) 14.717 21.208 ( 6.804 20.370 0.484) 21.482 21.294 ( 4.963 14.774 -2.443) 15.775 21.649 ( 0.955 1.748 -1.278) 2.366 22.011 ( -7.205 -1.669 -7.098) 10.251 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 16.786 7.380 4.598) 18.905 2.410 ( 16.177 7.839 6.570) 19.139 2.980 ( 0.671 -7.239 -1.185) 7.366 3.220 ( 2.503 -4.519 -1.726) 5.447 3.311 ( -6.635 -6.156 -7.522) 11.769 3.426 ( -3.123 -11.562 -3.653) 12.521 3.447 ( -1.257 2.525 1.238) 3.081 3.701 ( -5.556 -5.463 5.890) 9.768 4.045 ( -4.652 4.810 -2.436) 7.121 4.142 ( -1.272 4.010 -1.024) 4.330 4.262 ( -7.709 1.955 -3.213) 8.577 4.328 ( -6.450 -1.856 0.702) 6.748 7.311 ( 7.049 25.362 3.718) 26.585 7.345 ( 20.627 5.635 3.923) 21.739 7.519 ( 9.516 1.916 14.293) 17.277 8.305 ( -3.147 -4.793 2.633) 6.310 8.384 ( 11.366 0.528 3.520) 11.910 8.748 ( 17.398 0.463 6.920) 18.730 9.138 ( -15.453 0.568 -0.006) 15.464 9.302 ( 15.068 -6.916 -0.607) 16.590 9.447 ( -7.071 -2.131 2.304) 7.736 9.911 ( 16.832 -7.548 -3.101) 18.706 10.379 ( -13.290 8.900 -9.589) 18.649 10.534 ( -6.521 -0.697 -4.278) 7.830 10.865 ( 2.131 -2.859 2.611) 4.419 10.985 ( -1.296 -4.380 6.134) 7.648 11.088 ( -4.689 2.589 0.973) 5.444 11.431 ( -9.330 -1.089 -5.069) 10.673 12.160 ( -11.145 18.175 1.192) 21.354 12.267 ( -14.244 9.661 2.626) 17.410 12.886 ( 0.986 -8.914 -7.104) 11.441 12.980 ( -0.508 -10.523 -9.371) 14.100 13.398 ( 10.228 0.703 -6.311) 12.039 13.464 ( 8.073 3.128 -7.241) 11.287 13.583 ( 7.410 8.551 -6.755) 13.178 13.681 ( 8.007 4.165 1.648) 9.175 13.961 ( 5.241 -2.574 4.027) 7.093 14.233 ( -2.988 -10.666 2.842) 11.435 14.467 ( 2.858 1.225 -3.005) 4.324 14.640 ( 12.154 -1.452 10.349) 16.029 15.004 ( -1.971 -0.658 -11.807) 11.988 15.167 ( -7.403 -0.376 -3.774) 8.318 15.228 ( -15.409 4.522 -4.026) 16.556 15.491 ( 9.890 10.211 -3.483) 14.636 15.735 ( 8.606 3.725 3.770) 10.107 16.119 ( 20.933 19.047 13.460) 31.340 16.471 ( 12.955 -10.116 -2.495) 16.625 17.090 ( -11.318 12.044 -10.812) 19.750 17.498 ( 12.749 5.656 8.662) 16.418 17.904 ( -20.487 1.699 8.509) 22.248 18.081 ( 4.266 -31.615 2.712) 32.017 18.288 ( -6.594 -7.893 6.123) 11.970 18.329 ( 7.344 -10.788 11.854) 17.631 18.399 ( -19.952 -14.114 -6.849) 25.381 18.514 ( -2.107 -15.570 7.399) 17.367 18.830 ( -12.682 -11.399 4.324) 17.591 21.368 ( 7.924 14.976 -3.309) 17.263 21.416 ( 6.545 12.868 -5.382) 15.408 21.657 ( -0.461 3.446 -3.341) 4.822 21.864 ( -7.011 2.530 -8.263) 11.128 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 13.195 0.795 1.859) 13.349 2.686 ( 8.739 0.238 3.410) 9.384 2.968 ( -1.305 -4.332 -3.991) 6.033 3.076 ( -11.622 -0.181 -5.871) 13.022 3.303 ( 4.133 -9.031 -4.076) 10.735 3.386 ( -3.311 -7.910 1.385) 8.686 3.458 ( 3.848 -4.292 -0.032) 5.765 3.573 ( -6.334 -5.454 4.667) 9.573 3.980 ( -0.485 4.698 -2.937) 5.562 4.039 ( -5.629 4.109 -2.531) 7.414 4.196 ( -0.271 -0.168 1.596) 1.628 4.227 ( -3.209 -1.563 2.117) 4.149 7.488 ( 8.642 19.950 6.811) 22.784 7.595 ( 0.274 10.702 11.334) 15.591 7.813 ( 19.134 1.128 5.877) 20.048 8.149 ( -11.989 -2.984 5.265) 13.430 8.583 ( 9.050 0.339 3.095) 9.571 8.812 ( -13.249 0.566 3.003) 13.597 9.093 ( 11.878 -3.527 2.773) 12.697 9.262 ( -6.343 -6.144 0.047) 8.831 9.630 ( 15.389 2.876 -4.673) 16.338 10.014 ( -19.334 11.650 -13.121) 26.109 10.396 ( 22.512 -4.235 -7.875) 24.223 10.520 ( 3.182 -0.140 0.150) 3.189 10.807 ( -3.996 1.715 9.591) 10.531 10.985 ( -6.748 -8.309 -3.228) 11.180 11.029 ( 2.123 -5.705 -0.175) 6.090 11.170 ( -12.207 0.845 0.382) 12.242 11.982 ( -4.418 17.190 1.045) 17.779 12.016 ( -7.712 15.910 3.151) 17.959 12.893 ( 1.220 -13.149 -6.278) 14.622 12.943 ( -2.862 -12.956 -6.988) 14.996 13.507 ( 3.318 7.917 -9.003) 12.440 13.549 ( -0.424 9.109 -7.721) 11.948 13.837 ( 11.209 -2.248 3.090) 11.842 13.902 ( 12.030 4.082 -2.765) 13.001 14.077 ( 0.073 -3.204 7.440) 8.100 14.248 ( 6.779 -5.256 -7.683) 11.515 14.350 ( -7.450 -9.258 -4.028) 12.548 14.674 ( -19.950 -6.820 -8.940) 22.900 14.846 ( 6.846 9.745 -4.843) 12.857 15.005 ( -7.219 4.005 -6.302) 10.386 15.251 ( 10.833 5.745 11.866) 17.063 15.475 ( -8.407 3.964 11.754) 14.985 16.100 ( 20.288 16.930 -11.188) 28.695 16.482 ( -14.233 13.339 -11.332) 22.559 16.676 ( 30.713 8.483 17.015) 36.121 17.192 ( 15.391 -5.149 -1.020) 16.261 17.363 ( -21.218 3.839 11.659) 24.513 17.793 ( -7.018 -3.166 1.807) 7.908 17.826 ( -6.678 -14.141 2.396) 15.821 18.072 ( -10.077 -18.695 2.956) 21.442 18.318 ( 7.077 -17.372 4.410) 19.270 18.446 ( 1.490 -9.944 8.930) 13.448 18.488 ( -0.994 -11.160 9.330) 14.581 18.577 ( -9.399 -18.158 5.974) 21.301 21.518 ( 6.106 10.036 -5.009) 12.771 21.558 ( 6.411 9.855 -7.320) 13.849 21.624 ( -2.344 6.216 -4.922) 8.268 21.716 ( -7.110 6.352 -8.387) 12.698 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 27.617 1.247) 27.645 2.399 ( 0.000 28.135 5.495) 28.667 2.645 ( 0.000 -19.219 -0.180) 19.219 2.896 ( 0.000 -20.648 3.727) 20.982 3.352 ( 0.000 20.452 3.350) 20.724 3.487 ( 0.000 4.205 -6.445) 7.696 3.725 ( 0.000 1.002 2.157) 2.378 3.827 ( 0.000 -8.644 2.778) 9.079 4.203 ( 0.000 6.867 -5.479) 8.785 4.345 ( 0.000 8.997 -2.224) 9.268 4.437 ( 0.000 -14.469 -4.952) 15.293 4.525 ( 0.000 -9.113 -2.130) 9.359 6.783 ( 0.000 8.315 12.627) 15.119 6.948 ( 0.000 -8.166 14.295) 16.463 7.422 ( 0.000 7.415 9.779) 12.272 7.592 ( 0.000 -9.780 9.146) 13.390 8.119 ( 0.000 9.599 -7.737) 12.329 8.251 ( 0.000 -3.834 -5.192) 6.454 8.764 ( 0.000 16.417 -5.890) 17.441 9.178 ( 0.000 -25.022 -3.898) 25.324 9.735 ( 0.000 13.953 0.889) 13.982 10.062 ( 0.000 -19.161 -0.801) 19.178 10.592 ( 0.000 2.202 -13.061) 13.245 10.615 ( 0.000 -0.209 -12.685) 12.687 11.106 ( 0.000 2.686 15.126) 15.362 11.160 ( 0.000 -3.010 15.867) 16.150 11.543 ( 0.000 21.082 -8.640) 22.783 11.847 ( 0.000 -8.875 -10.897) 14.054 12.423 ( 0.000 8.893 -0.601) 8.913 12.620 ( 0.000 -10.063 0.128) 10.064 12.815 ( 0.000 6.434 14.075) 15.476 12.888 ( 0.000 -2.419 10.417) 10.694 12.944 ( 0.000 3.301 -1.843) 3.781 12.979 ( 0.000 0.388 3.681) 3.701 13.348 ( 0.000 2.232 -0.803) 2.372 13.445 ( 0.000 -7.747 -5.077) 9.262 13.804 ( 0.000 10.477 6.847) 12.516 13.998 ( 0.000 -1.094 -9.760) 9.821 14.021 ( 0.000 -11.617 7.161) 13.646 14.028 ( 0.000 -3.824 -6.895) 7.884 14.616 ( 0.000 2.993 19.081) 19.314 14.655 ( 0.000 -0.500 15.563) 15.571 15.726 ( 0.000 -0.453 -22.301) 22.305 15.748 ( 0.000 -3.014 -27.889) 28.051 16.208 ( 0.000 33.117 3.111) 33.263 16.360 ( 0.000 5.449 -7.458) 9.236 16.434 ( 0.000 -1.394 -3.829) 4.075 16.872 ( 0.000 -31.838 8.268) 32.894 17.013 ( 0.000 9.447 14.171) 17.032 17.303 ( 0.000 -20.559 13.709) 24.711 18.320 ( 0.000 7.787 -0.734) 7.822 18.398 ( 0.000 6.188 0.341) 6.197 18.442 ( 0.000 -4.175 -11.064) 11.826 18.527 ( 0.000 -5.371 -2.825) 6.068 18.965 ( 0.000 -0.463 -0.841) 0.960 19.066 ( 0.000 -8.494 -9.054) 12.414 21.447 ( 0.000 10.342 1.553) 10.458 21.547 ( 0.000 22.893 2.674) 23.048 21.586 ( 0.000 -3.994 1.327) 4.208 21.950 ( 0.000 -18.019 -0.850) 18.039 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 4.008 25.716 1.266) 26.058 2.403 ( 1.281 26.755 7.035) 27.694 2.666 ( 1.862 -18.240 0.077) 18.335 2.892 ( -0.105 -20.901 4.337) 21.346 3.397 ( 2.425 11.371 -0.878) 11.660 3.445 ( -3.601 3.992 -7.065) 8.877 3.696 ( -2.871 1.520 1.894) 3.761 3.788 ( -3.286 -7.059 3.906) 8.711 4.220 ( 1.620 8.559 -4.948) 10.018 4.325 ( -1.983 8.412 -1.949) 8.860 4.438 ( -0.361 -11.511 -4.881) 12.508 4.489 ( -3.441 -8.108 -1.895) 9.010 6.851 ( 6.879 8.042 10.330) 14.788 7.009 ( 6.244 -7.710 12.561) 16.007 7.574 ( 12.964 10.954 8.949) 19.187 7.784 ( 16.739 -11.082 9.346) 22.144 8.058 ( -3.818 12.250 -3.787) 13.378 8.244 ( -0.720 -6.109 -3.936) 7.303 8.805 ( 4.517 14.925 -2.604) 15.810 9.201 ( 2.657 -24.475 -2.313) 24.727 9.684 ( -5.109 11.417 0.878) 12.539 9.928 ( -11.468 -12.553 -1.199) 17.045 10.579 ( -2.334 1.093 -10.884) 11.184 10.628 ( 1.686 -3.911 -10.739) 11.552 11.060 ( -4.010 2.995 11.919) 12.927 11.118 ( -3.094 -3.107 13.386) 14.086 11.476 ( -6.492 19.951 -6.246) 21.890 11.760 ( -8.374 -8.129 -5.142) 12.753 12.477 ( 5.120 6.654 -5.392) 9.978 12.612 ( 1.881 -6.310 -3.452) 7.435 12.837 ( 2.266 3.819 5.603) 7.149 12.898 ( 3.142 -3.383 4.512) 6.456 12.960 ( -0.723 10.083 -0.455) 10.119 13.140 ( 5.654 -5.582 4.120) 8.950 13.437 ( 8.039 0.575 -6.353) 10.262 13.460 ( 5.573 -2.028 -6.537) 8.826 13.908 ( 5.944 6.351 13.838) 16.345 13.994 ( 1.670 -2.653 2.364) 3.926 14.083 ( 5.251 -3.519 -4.994) 8.056 14.147 ( 10.360 -7.972 0.638) 13.088 14.677 ( 6.907 3.317 15.647) 17.422 14.715 ( 6.183 -0.229 13.203) 14.581 15.680 ( -3.696 -0.369 -19.122) 19.480 15.702 ( -4.873 -2.476 -22.761) 23.408 16.146 ( -9.902 3.200 -3.129) 10.866 16.179 ( -14.322 4.608 -1.831) 15.156 16.323 ( 0.278 24.676 -0.761) 24.689 17.009 ( 6.631 -36.618 2.190) 37.277 17.156 ( 13.082 13.991 14.701) 24.145 17.463 ( 12.987 -16.896 13.525) 25.240 18.109 ( -14.785 8.927 -4.910) 17.955 18.292 ( -8.655 -9.102 -1.785) 12.687 18.448 ( -1.069 7.212 -1.025) 7.363 18.596 ( 1.954 -4.544 -5.441) 7.353 18.886 ( -7.477 0.494 0.035) 7.493 19.011 ( -5.411 -9.234 -4.769) 11.717 21.469 ( 2.029 9.964 0.426) 10.177 21.548 ( 0.545 18.646 0.587) 18.664 21.609 ( 1.886 -0.759 1.010) 2.270 21.927 ( -1.922 -15.945 -2.077) 16.194 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 6.640 20.078 2.248) 21.267 2.482 ( 6.151 20.013 6.301) 21.864 2.718 ( 3.260 -14.803 0.960) 15.188 2.912 ( 2.222 -18.962 6.138) 20.054 3.346 ( -4.688 1.577 -9.307) 10.540 3.391 ( -3.972 -1.684 -7.161) 8.360 3.612 ( -4.799 3.881 2.557) 6.681 3.706 ( -4.634 -5.368 5.160) 8.770 4.254 ( -0.496 8.327 -4.199) 9.339 4.260 ( -2.857 6.847 -1.005) 7.487 4.383 ( -6.259 -5.653 -1.016) 8.495 4.400 ( -3.780 -5.612 -4.642) 8.205 7.077 ( 14.576 7.026 7.518) 17.842 7.211 ( 12.720 -6.283 11.220) 18.088 7.785 ( 3.151 23.986 0.452) 24.196 8.125 ( 11.056 -0.054 6.850) 13.006 8.164 ( 12.202 -7.281 0.835) 14.234 8.281 ( 12.174 -6.752 7.585) 15.854 8.980 ( 12.771 11.487 1.439) 17.237 9.314 ( 8.621 -20.682 0.303) 22.409 9.513 ( -11.048 5.918 0.691) 12.552 9.641 ( -14.838 -6.337 0.246) 16.137 10.528 ( -2.172 3.177 -7.781) 8.681 10.641 ( -0.410 -7.665 -7.358) 10.633 10.954 ( -6.300 5.704 5.070) 9.896 11.048 ( -4.287 -3.492 7.161) 9.047 11.315 ( -7.209 14.552 -3.094) 16.532 11.545 ( -10.562 -7.425 -3.417) 13.356 12.580 ( 2.279 6.811 -6.448) 9.652 12.655 ( -3.082 1.935 -3.974) 5.389 12.767 ( -4.599 3.153 -1.208) 5.705 12.869 ( -4.696 -4.658 -4.769) 8.154 13.135 ( 12.913 2.876 1.336) 13.296 13.230 ( 8.260 -6.803 -1.750) 10.843 13.584 ( 4.547 3.415 -7.216) 9.187 13.637 ( 8.059 0.120 -9.015) 12.093 13.922 ( 0.275 6.060 3.534) 7.020 14.084 ( 2.562 -8.373 2.708) 9.165 14.303 ( 14.180 0.809 14.653) 20.407 14.357 ( 7.767 -3.897 6.915) 11.106 14.892 ( 11.883 3.262 0.608) 12.337 14.956 ( 15.905 -2.315 6.184) 17.221 15.541 ( -9.573 2.808 -9.976) 14.108 15.607 ( -3.610 -3.849 -7.911) 9.510 15.830 ( -11.755 8.711 -7.037) 16.235 16.039 ( -0.086 -11.994 -4.123) 12.683 16.420 ( 7.463 34.829 3.149) 35.759 17.126 ( 5.621 -32.861 1.935) 33.395 17.459 ( 13.480 9.428 11.022) 19.801 17.730 ( 6.874 -7.957 6.641) 12.437 17.793 ( -10.462 5.400 1.557) 11.875 18.081 ( -10.323 -17.785 -0.899) 20.584 18.380 ( -6.414 6.992 -0.105) 9.489 18.536 ( -8.276 -5.449 -4.250) 10.781 18.670 ( -12.067 4.106 3.331) 13.175 18.846 ( -9.810 -10.585 3.301) 14.805 21.528 ( 3.542 8.880 -2.217) 9.814 21.578 ( 2.310 14.562 -2.870) 15.020 21.654 ( 2.267 0.477 -0.923) 2.493 21.881 ( -2.356 -11.196 -4.578) 12.323 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 9.220 12.216 1.901) 15.422 2.628 ( 7.149 9.283 2.181) 11.918 2.805 ( 4.520 -7.947 3.014) 9.626 2.970 ( 2.419 -15.186 6.179) 16.573 3.268 ( -3.495 -1.252 -8.920) 9.661 3.277 ( -3.943 -3.220 -8.716) 10.093 3.503 ( -5.599 3.560 2.683) 7.157 3.593 ( -6.118 -5.379 5.153) 9.640 4.153 ( -5.174 5.523 -1.557) 7.727 4.230 ( -3.613 4.129 -2.248) 5.929 4.244 ( -6.303 -3.125 -0.126) 7.037 4.295 ( -5.633 -1.997 -3.891) 7.131 7.430 ( 18.175 4.595 7.504) 20.193 7.506 ( 14.512 -2.686 11.596) 18.769 7.823 ( 2.335 22.829 3.169) 23.166 8.157 ( -1.984 -11.401 2.355) 11.809 8.467 ( 12.431 7.634 5.207) 15.490 8.654 ( 16.169 -9.746 6.135) 19.851 9.200 ( -15.039 5.820 -0.851) 16.149 9.296 ( 1.148 1.040 -0.477) 1.620 9.389 ( 6.209 2.571 3.424) 7.542 9.649 ( 22.045 -16.956 1.040) 27.831 10.504 ( -0.066 5.759 -5.833) 8.197 10.600 ( -5.703 -0.531 -9.721) 11.283 10.805 ( -4.636 2.737 0.743) 5.434 10.923 ( -7.711 -5.400 2.475) 9.734 11.183 ( -6.830 8.350 -0.055) 10.788 11.354 ( -8.721 -7.181 -4.099) 12.018 12.453 ( -11.013 12.553 -0.816) 16.719 12.518 ( -7.415 14.510 -1.181) 16.337 12.689 ( -5.617 -11.341 -3.427) 13.111 12.771 ( -3.573 -11.367 -6.348) 13.501 13.425 ( 13.453 2.643 -0.424) 13.716 13.477 ( 13.822 -1.416 -0.963) 13.927 13.686 ( 5.738 4.114 -7.317) 10.168 13.772 ( 7.197 -2.185 -11.612) 13.835 13.978 ( 4.398 6.911 -0.961) 8.248 14.086 ( -2.408 -4.401 0.416) 5.034 14.421 ( -1.993 -0.627 6.669) 6.989 14.529 ( 4.300 -9.434 9.093) 13.790 15.088 ( 5.862 6.902 -5.456) 10.572 15.170 ( 2.226 -0.925 -2.768) 3.671 15.340 ( -10.425 6.522 -3.157) 12.695 15.485 ( -3.220 -7.279 -0.011) 7.960 15.944 ( 21.132 15.372 -1.105) 26.155 16.239 ( 19.588 -13.799 -1.896) 24.036 16.621 ( 11.845 31.084 6.786) 33.949 17.255 ( 6.684 -25.369 2.771) 26.381 17.399 ( -15.073 9.609 -6.680) 19.083 17.727 ( -4.288 -8.663 1.518) 9.785 17.824 ( 4.435 -3.950 8.477) 10.351 17.970 ( -6.040 -9.966 12.945) 17.418 18.177 ( -5.521 -2.523 3.631) 7.074 18.233 ( -19.227 -6.337 -2.645) 20.416 18.480 ( -5.817 5.165 7.609) 10.882 18.627 ( -10.983 -9.252 6.241) 15.658 21.611 ( 4.195 6.970 -4.922) 9.508 21.637 ( 2.973 10.132 -5.388) 11.854 21.696 ( 1.571 1.424 -3.406) 4.012 21.831 ( -2.485 -5.757 -6.519) 9.046 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 8.314 5.649 0.649) 10.073 2.759 ( 3.728 4.617 0.605) 5.965 2.857 ( 1.030 -6.242 -1.498) 6.502 2.951 ( -4.959 -10.369 -1.641) 11.610 3.237 ( 3.457 2.031 -3.010) 5.013 3.298 ( 2.710 -2.115 2.701) 4.372 3.385 ( -4.389 -1.140 -0.196) 4.538 3.456 ( -6.743 -6.053 4.317) 10.037 4.080 ( -0.916 5.008 -1.883) 5.428 4.125 ( -4.672 4.192 -2.104) 6.620 4.163 ( -1.351 -3.105 -0.301) 3.399 4.192 ( -3.748 -2.399 -1.837) 4.814 7.754 ( 9.769 5.349 11.118) 15.737 7.797 ( 12.793 3.308 7.661) 15.274 7.868 ( 2.061 10.790 9.138) 14.289 8.061 ( -8.001 -6.700 7.049) 12.594 8.668 ( 8.738 8.721 2.535) 12.603 8.891 ( -11.345 6.267 0.996) 12.999 8.900 ( 6.825 -11.961 2.223) 13.949 9.085 ( -10.102 -10.859 0.326) 14.835 9.842 ( 24.361 16.396 -5.006) 29.789 10.174 ( 23.715 -14.759 -6.603) 28.702 10.305 ( -17.630 14.306 -12.254) 25.800 10.527 ( -5.500 -4.303 -9.070) 11.447 10.785 ( 0.400 -1.300 3.347) 3.613 10.860 ( 7.819 -5.893 3.629) 10.442 10.986 ( -11.853 4.391 0.593) 12.654 11.113 ( -13.969 -6.141 2.119) 15.406 12.305 ( -1.859 16.575 0.277) 16.682 12.361 ( -6.126 17.376 -0.258) 18.426 12.618 ( -0.195 -15.020 -2.458) 15.221 12.676 ( -4.764 -14.656 -3.480) 15.799 13.660 ( 8.337 7.058 -5.371) 12.173 13.704 ( 5.279 4.536 -4.646) 8.369 13.827 ( 5.707 1.163 -2.556) 6.361 13.907 ( 2.027 -7.378 -5.926) 9.677 14.027 ( 2.628 5.929 -3.043) 7.164 14.150 ( 12.739 -6.876 -3.808) 14.969 14.262 ( -12.025 2.486 -0.008) 12.279 14.437 ( -11.624 -13.079 -2.909) 17.738 15.136 ( -0.123 13.474 -3.126) 13.832 15.155 ( -2.583 11.459 -2.169) 11.945 15.283 ( 6.008 -2.913 5.905) 8.913 15.412 ( -5.088 -9.678 5.974) 12.460 16.482 ( 25.248 19.807 -8.161) 33.112 16.705 ( 15.463 3.216 -5.589) 16.753 16.917 ( 15.999 15.951 10.613) 24.961 17.104 ( -8.047 0.504 -7.005) 10.681 17.385 ( -1.142 -11.129 6.207) 12.794 17.495 ( -9.944 -21.228 -1.955) 23.523 17.570 ( -16.768 -1.621 11.124) 20.187 17.740 ( -17.755 -13.940 9.463) 24.477 18.133 ( 11.232 2.065 6.064) 12.930 18.256 ( 6.267 -8.653 8.859) 13.879 18.369 ( -6.762 -2.612 8.552) 11.211 18.390 ( -10.416 -4.070 6.225) 12.799 21.690 ( 1.958 6.374 -6.245) 9.135 21.695 ( 3.280 3.984 -6.472) 8.278 21.715 ( 0.545 2.864 -5.517) 6.240 21.773 ( -3.108 -0.670 -7.197) 7.867 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 0.000 32.868) 32.868 1.553 ( 0.000 0.000 35.838) 35.838 2.426 ( 0.000 0.000 49.154) 49.154 3.066 ( 0.000 0.000 4.169) 4.169 3.156 ( 0.000 0.000 -14.052) 14.052 3.498 ( 0.000 0.000 0.808) 0.808 3.748 ( 0.000 0.000 0.417) 0.417 3.977 ( 0.000 0.000 -2.302) 2.302 4.063 ( 0.000 0.000 -5.645) 5.645 4.164 ( 0.000 0.000 -8.796) 8.796 4.559 ( 0.000 0.000 -19.215) 19.215 4.807 ( 0.000 0.000 -2.963) 2.963 6.307 ( 0.000 0.000 7.869) 7.869 7.362 ( 0.000 0.000 9.578) 9.578 7.672 ( 0.000 0.000 24.396) 24.396 8.003 ( 0.000 0.000 -5.224) 5.224 8.146 ( 0.000 0.000 13.602) 13.602 8.264 ( 0.000 0.000 -4.726) 4.726 8.319 ( 0.000 0.000 5.619) 5.619 9.430 ( 0.000 0.000 -0.114) 0.114 9.965 ( 0.000 0.000 -15.433) 15.433 10.033 ( 0.000 0.000 -10.061) 10.061 10.377 ( 0.000 0.000 -8.773) 8.773 10.796 ( 0.000 0.000 11.086) 11.086 10.994 ( 0.000 0.000 -9.235) 9.235 11.211 ( 0.000 0.000 -10.539) 10.539 11.367 ( 0.000 0.000 -0.598) 0.598 11.862 ( 0.000 0.000 5.878) 5.878 12.236 ( 0.000 0.000 -3.399) 3.399 12.400 ( 0.000 0.000 19.078) 19.078 12.750 ( 0.000 0.000 -1.917) 1.917 12.808 ( 0.000 0.000 -3.056) 3.056 12.993 ( 0.000 0.000 13.161) 13.161 13.308 ( 0.000 0.000 -2.954) 2.954 13.522 ( 0.000 0.000 10.129) 10.129 13.609 ( 0.000 0.000 -6.461) 6.461 13.637 ( 0.000 0.000 13.829) 13.829 13.964 ( 0.000 0.000 -18.341) 18.341 13.976 ( 0.000 0.000 -6.612) 6.612 14.047 ( 0.000 0.000 0.730) 0.730 14.517 ( 0.000 0.000 10.847) 10.847 14.897 ( 0.000 0.000 20.265) 20.265 15.346 ( 0.000 0.000 -31.296) 31.296 15.527 ( 0.000 0.000 19.254) 19.254 15.668 ( 0.000 0.000 -7.237) 7.237 15.818 ( 0.000 0.000 -16.400) 16.400 16.110 ( 0.000 0.000 -9.959) 9.959 17.400 ( 0.000 0.000 18.404) 18.404 17.609 ( 0.000 0.000 -32.996) 32.996 17.902 ( 0.000 0.000 -12.841) 12.841 18.088 ( 0.000 0.000 20.613) 20.613 18.573 ( 0.000 0.000 -8.143) 8.143 18.912 ( 0.000 0.000 2.656) 2.656 18.915 ( 0.000 0.000 0.888) 0.888 19.420 ( 0.000 0.000 -3.322) 3.322 19.547 ( 0.000 0.000 -12.917) 12.917 20.691 ( 0.000 0.000 22.783) 22.783 20.771 ( 0.000 0.000 6.617) 6.617 21.611 ( 0.000 0.000 2.222) 2.222 22.057 ( 0.000 0.000 -7.609) 7.609 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 9.957 0.000 27.099) 28.870 1.762 ( 18.334 0.000 29.224) 34.499 2.717 ( 23.875 0.000 41.758) 48.102 3.092 ( 2.355 0.000 4.038) 4.675 3.187 ( 3.184 0.000 -13.296) 13.672 3.414 ( -6.059 0.000 -0.956) 6.134 3.728 ( -3.625 0.000 -0.279) 3.636 3.987 ( 1.808 0.000 -2.155) 2.813 4.012 ( -4.684 0.000 -5.635) 7.328 4.136 ( -2.446 0.000 -7.513) 7.901 4.465 ( -8.656 0.000 -17.346) 19.386 4.749 ( -5.382 0.000 -1.842) 5.688 6.368 ( 5.645 0.000 7.975) 9.771 7.041 ( -13.851 0.000 14.321) 19.924 7.689 ( 1.769 0.000 24.524) 24.588 8.169 ( 5.696 0.000 -10.597) 12.031 8.181 ( 4.975 0.000 6.673) 8.323 8.528 ( 18.844 0.000 1.267) 18.886 8.551 ( 19.193 0.000 9.753) 21.529 9.400 ( -2.729 0.000 -0.402) 2.758 9.861 ( -9.649 0.000 -11.396) 14.932 9.920 ( -7.402 0.000 -9.069) 11.706 10.544 ( 11.281 0.000 -7.924) 13.786 10.743 ( -3.048 0.000 6.282) 6.982 10.820 ( -14.631 0.000 -9.424) 17.404 11.267 ( 3.391 0.000 -9.037) 9.652 11.411 ( 2.124 0.000 2.705) 3.439 11.806 ( -5.991 0.000 9.285) 11.050 12.188 ( -3.200 0.000 -5.482) 6.347 12.294 ( -8.579 0.000 14.921) 17.212 12.794 ( 1.331 0.000 -6.882) 7.010 12.847 ( 6.605 0.000 -2.263) 6.982 12.891 ( -5.833 0.000 8.474) 10.288 13.212 ( -6.681 0.000 -5.489) 8.646 13.435 ( -5.320 0.000 7.542) 9.230 13.636 ( -0.763 0.000 -3.030) 3.125 13.773 ( 3.792 0.000 2.454) 4.516 13.989 ( 20.906 0.000 2.902) 21.106 14.164 ( 6.660 0.000 -7.755) 10.222 14.228 ( 12.155 0.000 -7.112) 14.083 14.432 ( -5.922 0.000 5.872) 8.339 15.111 ( 17.904 0.000 22.922) 29.085 15.232 ( -7.705 0.000 -20.150) 21.572 15.529 ( -2.253 0.000 2.417) 3.305 15.686 ( 1.449 0.000 -5.249) 5.445 15.811 ( -5.788 0.000 -6.507) 8.709 16.130 ( 7.227 0.000 -10.927) 13.100 17.278 ( -22.023 0.000 -27.426) 35.174 17.293 ( -5.388 0.000 21.957) 22.608 18.108 ( 9.833 0.000 -14.209) 17.280 18.306 ( 13.203 0.000 14.377) 19.520 18.486 ( 0.452 0.000 5.830) 5.848 18.933 ( 2.013 0.000 2.759) 3.415 19.094 ( 7.414 0.000 -5.850) 9.444 19.418 ( -0.269 0.000 -2.800) 2.812 19.453 ( -7.789 0.000 -12.600) 14.813 20.713 ( 2.277 0.000 19.129) 19.264 20.751 ( -1.516 0.000 3.833) 4.122 21.595 ( -1.498 0.000 1.078) 1.846 21.913 ( -11.700 0.000 -7.005) 13.636 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 16.237 0.000 14.701) 21.903 2.222 ( 23.699 0.000 18.117) 29.831 3.128 ( 9.507 0.000 11.388) 14.835 3.155 ( 3.416 0.000 3.708) 5.042 3.235 ( -4.063 0.000 -3.223) 5.186 3.392 ( 5.807 0.000 1.133) 5.917 3.680 ( 5.673 0.000 -0.132) 5.674 3.883 ( -7.156 0.000 -5.561) 9.063 4.018 ( -0.609 0.000 -5.356) 5.391 4.071 ( -2.837 0.000 -0.502) 2.881 4.224 ( -13.626 0.000 -13.307) 19.046 4.615 ( -6.079 0.000 2.171) 6.455 6.534 ( 10.168 0.000 8.184) 13.053 6.978 ( 7.178 0.000 10.075) 12.371 7.739 ( 2.143 0.000 22.041) 22.145 8.286 ( 5.732 0.000 -7.316) 9.294 8.335 ( 8.886 0.000 2.925) 9.355 8.827 ( 10.472 0.000 9.523) 14.155 9.050 ( 27.495 0.000 8.483) 28.774 9.340 ( -2.310 0.000 -1.803) 2.930 9.600 ( -14.191 0.000 -2.254) 14.369 9.779 ( -5.962 0.000 -6.802) 9.045 10.374 ( -23.484 0.000 -11.618) 26.201 10.722 ( 1.456 0.000 0.573) 1.565 10.801 ( 8.347 0.000 -2.836) 8.816 11.293 ( -1.388 0.000 -8.950) 9.057 11.391 ( -4.030 0.000 10.128) 10.900 11.606 ( -11.627 0.000 13.746) 18.003 12.039 ( -16.818 0.000 5.540) 17.707 12.174 ( 0.840 0.000 -10.825) 10.858 12.847 ( 2.140 0.000 -3.693) 4.269 12.913 ( 8.765 0.000 -8.246) 12.034 12.940 ( 1.381 0.000 -9.867) 9.963 13.108 ( -1.307 0.000 -5.573) 5.724 13.362 ( -0.818 0.000 3.338) 3.437 13.528 ( -3.180 0.000 -4.759) 5.724 14.059 ( 13.523 0.000 11.094) 17.491 14.243 ( -2.219 0.000 6.736) 7.092 14.344 ( 8.104 0.000 -10.306) 13.111 14.376 ( 7.551 0.000 -8.128) 11.094 14.523 ( 18.675 0.000 1.516) 18.736 15.080 ( -6.594 0.000 -19.248) 20.346 15.319 ( -18.514 0.000 -15.760) 24.314 15.563 ( 21.565 0.000 24.044) 32.299 15.714 ( 0.678 0.000 20.129) 20.140 15.721 ( 4.439 0.000 0.224) 4.445 16.394 ( 15.562 0.000 -9.723) 18.350 16.798 ( -23.249 0.000 -24.267) 33.606 17.288 ( 5.918 0.000 20.616) 21.449 18.190 ( -2.856 0.000 -5.949) 6.599 18.424 ( 4.485 0.000 6.105) 7.575 18.720 ( 12.639 0.000 18.480) 22.389 18.995 ( 3.853 0.000 3.141) 4.971 19.001 ( -14.641 0.000 -2.841) 14.914 19.308 ( -7.346 0.000 -7.380) 10.413 19.405 ( -1.103 0.000 -1.259) 1.674 20.734 ( 0.582 0.000 -4.001) 4.043 20.798 ( 6.103 0.000 9.561) 11.343 21.548 ( -3.099 0.000 -1.826) 3.597 21.651 ( -12.415 0.000 -10.495) 16.256 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 18.764 0.000 3.529) 19.093 2.686 ( 19.756 0.000 9.565) 21.950 3.093 ( -8.060 0.000 -3.930) 8.967 3.216 ( 1.739 0.000 3.342) 3.767 3.256 ( 3.747 0.000 -7.337) 8.239 3.358 ( -4.009 0.000 -1.322) 4.221 3.739 ( -5.993 0.000 -5.437) 8.091 3.807 ( -3.259 0.000 -0.637) 3.321 3.930 ( -6.012 0.000 -7.676) 9.750 3.939 ( -12.648 0.000 -9.567) 15.859 4.180 ( 13.585 0.000 13.677) 19.277 4.538 ( -1.495 0.000 7.692) 7.835 6.791 ( 14.449 0.000 8.104) 16.567 7.288 ( 21.282 0.000 4.028) 21.660 7.715 ( -5.841 0.000 15.209) 16.292 8.374 ( 1.257 0.000 -3.085) 3.331 8.538 ( 10.799 0.000 5.309) 12.033 9.030 ( 9.954 0.000 16.004) 18.847 9.305 ( -13.055 0.000 7.915) 15.267 9.313 ( -0.588 0.000 -5.081) 5.115 9.659 ( -6.679 0.000 -5.278) 8.513 9.660 ( 29.586 0.000 2.066) 29.658 9.869 ( -21.907 0.000 -14.076) 26.039 10.808 ( 6.682 0.000 -2.802) 7.246 10.888 ( -0.012 0.000 5.312) 5.312 11.195 ( -9.004 0.000 -9.358) 12.987 11.240 ( -10.749 0.000 13.999) 17.649 11.464 ( 0.882 0.000 10.695) 10.731 11.608 ( -22.275 0.000 -5.216) 22.878 12.102 ( -9.086 0.000 -3.740) 9.826 12.956 ( 7.873 0.000 -11.915) 14.281 12.965 ( 2.408 0.000 -9.139) 9.451 13.098 ( 6.935 0.000 -13.237) 14.944 13.120 ( 0.549 0.000 -3.402) 3.446 13.479 ( 13.092 0.000 -4.884) 13.973 13.515 ( 1.607 0.000 -1.068) 1.930 14.006 ( -10.805 0.000 -0.862) 10.839 14.415 ( 14.407 0.000 8.357) 16.655 14.422 ( 1.611 0.000 -17.308) 17.383 14.680 ( 16.702 0.000 -0.892) 16.726 14.735 ( -8.183 0.000 -12.511) 14.950 14.893 ( -17.969 0.000 -13.767) 22.637 15.076 ( 11.928 0.000 4.327) 12.689 15.638 ( -3.011 0.000 4.715) 5.595 15.750 ( -0.260 0.000 24.944) 24.945 16.178 ( 18.777 0.000 14.396) 23.661 16.360 ( -9.341 0.000 -12.063) 15.256 16.770 ( 21.544 0.000 -4.703) 22.051 17.543 ( 17.237 0.000 12.937) 21.551 17.981 ( -16.820 0.000 4.434) 17.394 18.533 ( -13.540 0.000 -3.975) 14.111 18.581 ( -0.396 0.000 9.994) 10.002 18.939 ( 2.876 0.000 22.124) 22.310 19.054 ( -16.510 0.000 0.622) 16.521 19.090 ( 5.061 0.000 3.279) 6.031 19.366 ( -2.690 0.000 0.696) 2.779 20.797 ( 5.672 0.000 -12.213) 13.466 20.962 ( 9.167 0.000 -0.474) 9.179 21.406 ( -11.150 0.000 -14.875) 18.590 21.464 ( -5.048 0.000 -5.130) 7.197 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 18.513 0.000 -3.507) 18.842 2.863 ( -14.308 0.000 -6.365) 15.660 3.022 ( 12.240 0.000 4.569) 13.065 3.196 ( -4.373 0.000 3.131) 5.378 3.294 ( 0.637 0.000 -3.270) 3.332 3.316 ( -0.911 0.000 -8.861) 8.908 3.664 ( -0.454 0.000 -5.575) 5.593 3.731 ( -6.785 0.000 -6.820) 9.621 3.732 ( -0.387 0.000 -1.835) 1.875 3.801 ( -5.749 0.000 -4.369) 7.221 4.417 ( 7.651 0.000 13.830) 15.805 4.511 ( -2.087 0.000 11.530) 11.717 7.129 ( 17.481 0.000 7.731) 19.114 7.484 ( -15.375 0.000 9.052) 17.842 7.800 ( 25.770 0.000 1.148) 25.795 8.252 ( -14.654 0.000 0.672) 14.669 8.786 ( 12.520 0.000 10.989) 16.659 9.045 ( -12.226 0.000 12.986) 17.836 9.217 ( 5.862 0.000 10.039) 11.625 9.296 ( -2.300 0.000 -1.707) 2.864 9.480 ( -2.290 0.000 -17.322) 17.472 9.596 ( -8.030 0.000 -2.783) 8.499 10.269 ( 28.494 0.000 -6.267) 29.175 10.829 ( -23.090 0.000 -11.048) 25.597 10.886 ( 2.229 0.000 12.172) 12.375 11.004 ( 9.033 0.000 -4.141) 9.937 11.015 ( -9.479 0.000 14.473) 17.301 11.236 ( -12.888 0.000 -5.654) 14.074 11.593 ( 9.931 0.000 6.955) 12.125 11.845 ( -13.538 0.000 3.455) 13.972 13.036 ( 3.821 0.000 -5.187) 6.443 13.103 ( -2.212 0.000 -3.615) 4.238 13.119 ( 6.209 0.000 -17.646) 18.707 13.178 ( 0.716 0.000 -17.734) 17.748 13.596 ( 6.269 0.000 -1.073) 6.360 13.774 ( -10.473 0.000 -1.297) 10.553 13.856 ( 21.239 0.000 -9.791) 23.387 14.317 ( -21.480 0.000 -14.123) 25.707 14.493 ( 3.262 0.000 -16.054) 16.382 14.639 ( -9.557 0.000 -15.953) 18.597 14.727 ( 14.121 0.000 3.734) 14.607 14.901 ( 0.830 0.000 2.576) 2.706 15.389 ( 14.780 0.000 18.507) 23.684 15.632 ( 5.772 0.000 -0.642) 5.808 15.648 ( -9.288 0.000 22.645) 24.475 15.895 ( -17.289 0.000 -10.091) 20.019 16.895 ( 31.620 0.000 18.186) 36.477 17.294 ( 27.322 0.000 -2.645) 27.450 17.516 ( -26.927 0.000 12.809) 29.819 17.783 ( -9.757 0.000 0.591) 9.775 18.215 ( 5.852 0.000 3.939) 7.054 18.615 ( -22.649 0.000 6.264) 23.500 18.764 ( 9.267 0.000 14.329) 17.064 18.925 ( -5.274 0.000 19.045) 19.762 19.197 ( 5.032 0.000 2.950) 5.834 19.294 ( -4.152 0.000 2.129) 4.666 20.962 ( 9.636 0.000 -16.196) 18.845 21.159 ( 9.273 0.000 -6.106) 11.103 21.178 ( -10.780 0.000 -16.742) 19.913 21.335 ( -7.364 0.000 -7.131) 10.251 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 20.335 26.825) 33.662 1.580 ( 0.000 6.112 31.541) 32.128 2.711 ( 0.000 24.117 39.319) 46.127 3.036 ( 0.000 -4.225 -3.210) 5.306 3.180 ( 0.000 3.326 -6.193) 7.030 3.441 ( 0.000 -5.835 1.250) 5.967 3.727 ( 0.000 -1.885 -0.494) 1.948 3.963 ( 0.000 -3.678 -8.977) 9.701 4.018 ( 0.000 0.762 -2.908) 3.006 4.182 ( 0.000 -0.633 -4.809) 4.851 4.529 ( 0.000 -3.095 -18.301) 18.561 4.760 ( 0.000 -4.670 -3.268) 5.700 6.501 ( 0.000 17.102 6.012) 18.128 7.363 ( 0.000 -0.020 9.592) 9.592 7.686 ( 0.000 1.152 26.078) 26.103 7.826 ( 0.000 -11.095 0.343) 11.100 8.150 ( 0.000 -3.556 12.277) 12.781 8.287 ( 0.000 3.961 -5.276) 6.598 8.290 ( 0.000 -2.877 2.938) 4.112 9.460 ( 0.000 3.175 0.643) 3.239 9.846 ( 0.000 -10.734 -12.005) 16.104 10.147 ( 0.000 9.069 -11.887) 14.952 10.382 ( 0.000 0.212 -9.259) 9.261 10.753 ( 0.000 -17.037 -7.907) 18.782 10.847 ( 0.000 4.714 7.345) 8.727 11.328 ( 0.000 -1.643 5.513) 5.752 11.375 ( 0.000 8.946 -7.645) 11.768 11.793 ( 0.000 -5.080 5.668) 7.612 12.201 ( 0.000 -1.097 -4.864) 4.986 12.579 ( 0.000 14.231 15.498) 21.041 12.824 ( 0.000 5.180 -2.264) 5.653 12.824 ( 0.000 1.940 -0.622) 2.037 12.978 ( 0.000 -2.073 10.898) 11.093 13.201 ( 0.000 -6.445 0.944) 6.514 13.464 ( 0.000 -4.304 7.280) 8.457 13.642 ( 0.000 -3.797 -9.215) 9.967 13.694 ( 0.000 3.631 12.021) 12.557 13.914 ( 0.000 -0.554 -10.923) 10.937 13.953 ( 0.000 -1.665 -5.526) 5.771 14.174 ( 0.000 10.079 -8.143) 12.957 14.658 ( 0.000 11.661 13.910) 18.152 14.914 ( 0.000 1.806 21.446) 21.522 15.310 ( 0.000 -3.308 -30.916) 31.093 15.523 ( 0.000 1.096 12.680) 12.727 15.622 ( 0.000 -3.190 -6.484) 7.226 15.868 ( 0.000 4.747 -16.240) 16.919 16.190 ( 0.000 6.287 -8.462) 10.542 17.351 ( 0.000 -4.519 19.317) 19.839 17.660 ( 0.000 4.685 -30.693) 31.049 17.937 ( 0.000 3.398 -12.835) 13.278 18.002 ( 0.000 -9.255 19.556) 21.635 18.518 ( 0.000 -8.174 -7.506) 11.098 18.684 ( 0.000 -17.111 2.716) 17.325 18.799 ( 0.000 -10.871 10.181) 14.894 19.231 ( 0.000 -13.765 -6.689) 15.305 19.408 ( 0.000 -12.167 -7.778) 14.440 20.869 ( 0.000 15.955 17.167) 23.437 20.939 ( 0.000 14.717 5.513) 15.716 21.626 ( 0.000 1.374 2.053) 2.471 22.122 ( 0.000 3.477 -9.593) 10.203 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 7.880 18.263 22.728) 30.202 1.770 ( 16.707 3.483 27.315) 32.208 2.933 ( 16.296 16.203 28.467) 36.585 3.071 ( 4.312 -0.880 3.824) 5.831 3.192 ( 1.865 0.926 -8.394) 8.649 3.387 ( -3.812 -3.195 0.020) 4.974 3.696 ( -3.553 -2.577 -1.279) 4.572 3.937 ( -3.524 -5.314 -8.468) 10.600 4.010 ( 0.497 2.252 -2.258) 3.227 4.143 ( -3.248 -0.749 -4.560) 5.649 4.454 ( -6.907 -1.380 -16.377) 17.827 4.702 ( -5.279 -4.510 -2.278) 7.307 6.564 ( 5.916 17.524 6.010) 19.448 7.084 ( -12.371 5.020 12.538) 18.315 7.687 ( 1.660 -0.895 25.762) 25.831 8.042 ( 9.859 -7.737 0.085) 12.533 8.214 ( 3.366 -0.569 -2.204) 4.064 8.428 ( 17.111 -7.618 5.495) 19.519 8.550 ( 18.059 0.121 6.888) 19.328 9.426 ( -3.175 3.025 -0.113) 4.387 9.812 ( -2.830 -7.012 -9.643) 12.254 9.966 ( -12.889 4.621 -8.750) 16.249 10.508 ( 7.801 -3.287 -6.769) 10.839 10.724 ( -3.370 -0.215 -6.076) 6.951 10.885 ( -1.150 2.601 1.711) 3.319 11.069 ( -9.268 -8.717 -4.141) 13.380 11.522 ( 1.817 1.648 6.331) 6.790 11.754 ( -3.335 -1.105 4.546) 5.745 12.174 ( -2.216 0.536 -6.104) 6.516 12.472 ( -7.185 13.325 9.910) 18.094 12.787 ( -0.088 -0.259 -6.284) 6.290 12.863 ( -7.001 -2.449 7.538) 10.575 12.957 ( 7.554 8.733 0.021) 11.547 13.154 ( -4.203 -4.010 -4.861) 7.574 13.423 ( -6.439 -2.156 3.130) 7.477 13.585 ( 2.209 -5.493 0.266) 5.927 13.844 ( 3.130 2.868 -4.451) 6.151 14.012 ( 20.613 2.273 7.036) 21.899 14.106 ( 5.600 3.103 -4.330) 7.729 14.263 ( 6.805 -0.393 -8.663) 11.023 14.600 ( -1.777 12.949 7.550) 15.094 15.100 ( 10.547 -1.968 20.297) 22.959 15.239 ( -1.449 1.095 -19.811) 19.894 15.513 ( -1.869 -0.047 0.360) 1.904 15.639 ( 0.032 -2.386 -5.706) 6.185 15.839 ( -4.586 2.221 -6.986) 8.647 16.191 ( 3.883 4.323 -7.911) 9.816 17.245 ( -9.181 -0.851 9.206) 13.029 17.386 ( -14.172 7.134 -13.128) 20.593 18.137 ( 9.450 2.566 -13.936) 17.032 18.227 ( 16.386 -9.721 15.961) 24.854 18.443 ( -2.058 -4.360 0.883) 4.901 18.678 ( 0.809 -20.813 5.038) 21.429 18.983 ( 9.932 -14.122 2.249) 17.411 19.193 ( -4.953 -14.037 -4.712) 15.613 19.332 ( -5.767 -11.210 -8.621) 15.273 20.879 ( 1.181 15.082 14.394) 20.882 20.926 ( -0.965 15.134 2.997) 15.459 21.612 ( -1.298 1.578 0.885) 2.227 21.995 ( -10.641 5.158 -9.144) 14.949 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 13.395 13.441 13.418) 23.241 2.195 ( 22.025 -1.000 18.795) 28.971 3.078 ( 1.493 -5.192 -0.716) 5.450 3.174 ( 2.567 1.216 -2.278) 3.641 3.255 ( -2.398 0.163 1.435) 2.799 3.450 ( 5.592 5.484 6.281) 10.039 3.637 ( 3.221 -5.214 0.886) 6.193 3.837 ( -3.913 -1.836 -4.693) 6.380 4.008 ( -2.685 -0.907 -7.929) 8.420 4.074 ( -1.784 0.790 1.819) 2.668 4.264 ( -10.445 2.829 -11.844) 16.043 4.571 ( -6.114 -4.172 1.141) 7.489 6.734 ( 9.944 18.917 6.454) 22.325 7.024 ( 6.735 5.068 10.322) 13.326 7.754 ( 4.062 0.519 23.465) 23.820 8.238 ( 8.683 -3.682 -2.864) 9.856 8.313 ( 6.278 -2.198 -1.360) 6.790 8.754 ( 13.140 -5.882 11.238) 18.264 9.012 ( 24.911 -3.557 7.630) 26.295 9.333 ( -5.387 0.376 -2.015) 5.764 9.674 ( -12.352 5.061 -0.892) 13.378 9.768 ( -2.543 -1.518 -5.459) 6.210 10.427 ( -22.864 6.346 -10.657) 26.012 10.639 ( 4.638 -8.198 -2.681) 9.793 10.857 ( 1.268 4.626 -0.482) 4.821 11.058 ( 3.036 -13.250 -2.698) 13.858 11.437 ( -8.391 -4.902 9.390) 13.513 11.627 ( -8.844 3.189 7.422) 11.977 12.127 ( -7.590 6.697 -5.917) 11.725 12.273 ( -8.307 10.192 -2.986) 13.484 12.802 ( 1.036 -4.161 -2.146) 4.795 12.852 ( 4.954 -3.863 -11.397) 13.013 13.061 ( -0.747 7.997 -12.467) 14.830 13.102 ( 4.717 0.959 -1.124) 4.943 13.326 ( -0.725 -1.181 3.212) 3.498 13.624 ( 1.570 4.969 1.536) 5.433 14.018 ( 7.142 -6.096 1.683) 9.540 14.157 ( 3.574 2.099 -2.460) 4.820 14.325 ( 6.170 -1.697 -6.543) 9.152 14.515 ( 15.074 6.529 10.910) 19.720 14.666 ( 10.631 11.423 -5.219) 16.454 15.055 ( -5.699 -0.733 -16.482) 17.455 15.300 ( -12.021 -3.264 -6.583) 14.089 15.462 ( -5.444 -5.620 1.753) 8.019 15.676 ( 18.375 0.606 8.553) 20.277 15.847 ( 6.047 6.493 17.663) 19.766 16.370 ( 11.477 -3.172 -6.579) 13.604 16.883 ( -19.965 8.563 -20.554) 29.906 17.346 ( 6.359 6.080 17.726) 19.789 18.209 ( -2.974 1.346 -5.839) 6.689 18.422 ( 3.928 -0.072 4.137) 5.706 18.614 ( 13.991 -14.664 13.252) 24.215 18.703 ( 0.876 -21.267 6.566) 22.275 18.941 ( -14.987 -7.158 -1.574) 16.683 19.127 ( 0.562 -24.029 3.176) 24.244 19.222 ( -5.404 -7.781 -5.472) 10.940 20.912 ( 1.081 14.922 -1.891) 15.080 20.940 ( 3.984 13.379 4.955) 14.813 21.571 ( -2.725 2.185 -2.114) 4.083 21.747 ( -12.011 7.075 -11.305) 17.948 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 16.314 8.211 3.780) 18.651 2.623 ( 17.783 -4.821 11.357) 21.643 3.049 ( -4.209 -4.299 -4.118) 7.291 3.194 ( -3.063 -1.458 -0.324) 3.408 3.252 ( 4.361 -1.670 -9.718) 10.781 3.376 ( -5.696 0.361 -0.124) 5.709 3.644 ( -3.412 -8.032 -2.307) 9.027 3.794 ( -5.431 -0.434 -1.534) 5.661 3.915 ( -5.460 1.095 -5.665) 7.944 4.030 ( -9.213 4.921 -7.368) 12.782 4.187 ( 9.658 0.783 9.500) 13.570 4.483 ( -2.347 -5.087 6.112) 8.291 6.974 ( 13.311 17.890 7.904) 23.658 7.331 ( 21.121 4.329 5.009) 22.134 7.789 ( -2.642 6.276 17.111) 18.416 8.354 ( 1.834 -1.507 -1.920) 3.053 8.494 ( 10.752 -3.890 3.950) 12.097 9.005 ( 10.842 -1.947 15.892) 19.336 9.195 ( -6.140 -5.028 -0.850) 7.981 9.410 ( -2.684 -0.049 1.550) 3.100 9.517 ( 5.589 -3.094 2.512) 6.864 9.815 ( 12.329 6.734 -1.710) 14.152 9.922 ( -22.847 6.313 -14.749) 27.918 10.703 ( 0.926 -11.672 0.893) 11.743 10.899 ( 4.044 3.238 -1.456) 5.381 11.128 ( 2.032 -5.123 1.476) 5.706 11.219 ( -11.258 -3.053 5.085) 12.725 11.408 ( -12.914 -3.532 4.340) 14.074 11.813 ( -14.195 15.768 -3.460) 21.496 12.143 ( -9.700 4.578 -3.460) 11.270 12.863 ( 4.033 -7.438 -8.157) 11.753 12.927 ( 2.378 -7.221 -13.003) 15.063 13.091 ( 3.993 6.297 -10.360) 12.764 13.224 ( 3.839 7.145 -2.597) 8.517 13.451 ( 13.841 -0.942 -3.623) 14.338 13.674 ( 3.340 9.659 0.034) 10.220 13.983 ( -5.120 -1.370 -4.651) 7.052 14.309 ( 3.981 0.470 -7.344) 8.367 14.440 ( 5.606 -11.808 1.543) 13.162 14.668 ( 0.302 6.834 -3.784) 7.817 14.823 ( -11.102 1.691 -14.152) 18.066 14.981 ( 0.322 8.524 -14.443) 16.773 15.128 ( 12.563 6.891 11.727) 18.516 15.402 ( -1.034 -13.824 8.949) 16.500 15.861 ( -0.305 2.711 10.992) 11.326 16.264 ( 26.220 7.902 21.553) 34.849 16.404 ( -13.090 2.908 -14.519) 19.764 16.770 ( 18.053 1.620 -2.945) 18.363 17.584 ( 15.374 4.233 12.253) 20.110 18.005 ( -16.297 2.074 4.040) 16.918 18.463 ( -19.737 -7.179 -4.702) 21.522 18.534 ( 3.751 -4.452 9.476) 11.122 18.759 ( -0.378 -24.597 4.355) 24.983 18.869 ( 4.680 -9.983 17.407) 20.605 18.984 ( -9.878 -10.985 2.635) 15.006 19.159 ( -1.989 -16.345 4.350) 17.031 20.968 ( 4.704 14.581 -10.775) 18.731 21.064 ( 7.403 9.715 -1.936) 12.367 21.492 ( -5.877 4.427 -8.043) 10.900 21.515 ( -9.176 7.089 -11.952) 16.652 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 16.574 3.797 -2.985) 17.264 2.844 ( -6.738 -2.809 -1.839) 7.528 2.951 ( 4.684 -4.273 0.400) 6.353 3.094 ( -6.181 -7.149 0.439) 9.460 3.318 ( 1.059 -2.374 -5.249) 5.857 3.331 ( 1.102 1.290 -6.323) 6.547 3.605 ( 0.305 -4.635 -1.992) 5.055 3.667 ( -5.224 -1.602 -1.940) 5.799 3.819 ( -1.858 4.378 -3.988) 6.207 3.866 ( -5.696 5.082 -5.212) 9.243 4.362 ( 5.857 -4.938 11.186) 13.558 4.442 ( -2.339 -6.382 9.635) 11.791 7.286 ( 16.111 15.191 8.340) 23.662 7.605 ( -12.686 11.381 10.403) 19.968 7.840 ( 24.105 3.993 2.612) 24.573 8.257 ( -12.852 0.666 2.607) 13.130 8.745 ( 12.783 -3.799 9.813) 16.557 8.993 ( -10.057 -4.543 9.925) 14.842 9.230 ( 5.300 0.762 10.762) 12.020 9.310 ( -3.786 0.276 -2.337) 4.457 9.490 ( -1.724 0.687 -13.425) 13.553 9.597 ( -8.367 1.632 -5.388) 10.085 10.269 ( 24.329 -0.030 -5.958) 25.048 10.661 ( -8.164 -9.666 -1.763) 12.775 10.957 ( -6.170 -1.149 2.607) 6.796 11.034 ( -10.876 3.626 4.921) 12.477 11.055 ( 6.245 3.332 1.863) 7.319 11.194 ( -5.292 -5.156 -1.647) 7.570 11.701 ( 3.317 11.098 2.388) 11.827 11.886 ( -12.633 5.091 2.750) 13.895 12.933 ( 2.590 -10.044 -9.806) 14.274 12.962 ( 0.264 -9.049 -11.778) 14.855 13.188 ( 4.428 5.599 -9.545) 11.919 13.250 ( -1.037 7.208 -6.813) 9.973 13.757 ( 5.246 9.742 -2.171) 11.276 13.796 ( 9.655 1.126 -7.214) 12.104 13.925 ( 6.513 8.019 -6.183) 12.040 14.288 ( -12.583 -4.945 -12.009) 18.083 14.387 ( -7.702 -0.705 -12.243) 14.481 14.436 ( -5.301 -13.548 -10.650) 18.030 14.859 ( 9.683 1.690 6.376) 11.717 15.025 ( -3.132 4.961 1.918) 6.173 15.355 ( 9.455 0.025 8.089) 12.443 15.487 ( 3.479 1.330 7.646) 8.505 15.811 ( 1.205 7.635 4.249) 8.820 16.035 ( -15.718 9.313 -4.836) 18.899 16.924 ( 31.005 3.168 18.339) 36.162 17.269 ( 25.924 -2.304 -0.671) 26.034 17.544 ( -24.784 2.691 12.451) 27.866 17.798 ( -13.713 1.350 0.397) 13.785 18.131 ( 7.308 -7.905 5.073) 11.901 18.502 ( -18.031 -12.493 6.876) 22.988 18.695 ( 5.055 -6.581 9.113) 12.325 18.799 ( -3.819 -13.417 11.066) 17.806 19.018 ( 4.517 -13.999 10.360) 17.992 19.102 ( -3.482 -16.647 6.698) 18.279 21.105 ( 8.046 12.278 -15.039) 21.016 21.223 ( 6.241 6.822 -7.911) 12.169 21.303 ( -7.930 9.936 -14.875) 19.567 21.386 ( -6.396 4.820 -7.471) 10.952 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.000 18.608 17.871) 25.800 2.058 ( 0.000 26.657 17.402) 31.834 2.891 ( 0.000 -10.545 -5.223) 11.768 3.180 ( 0.000 19.629 20.961) 28.717 3.274 ( 0.000 -10.924 2.381) 11.181 3.277 ( 0.000 5.713 -3.037) 6.471 3.697 ( 0.000 -0.386 -1.660) 1.704 3.890 ( 0.000 -1.675 -9.116) 9.269 4.074 ( 0.000 0.326 -3.178) 3.195 4.145 ( 0.000 1.182 -3.039) 3.260 4.437 ( 0.000 -6.394 -15.649) 16.905 4.635 ( 0.000 -7.856 -3.831) 8.740 6.842 ( 0.000 15.377 10.101) 18.398 7.351 ( 0.000 -1.746 10.808) 10.948 7.707 ( 0.000 1.018 28.382) 28.400 7.732 ( 0.000 2.625 -2.871) 3.891 8.039 ( 0.000 -6.356 13.646) 15.054 8.213 ( 0.000 -4.799 -3.710) 6.066 8.418 ( 0.000 9.779 -2.843) 10.184 9.536 ( 0.000 -9.602 -4.406) 10.565 9.581 ( 0.000 -1.852 -0.102) 1.855 10.296 ( 0.000 4.436 -11.622) 12.440 10.349 ( 0.000 -8.684 -7.522) 11.489 10.430 ( 0.000 -10.407 -7.764) 12.984 11.008 ( 0.000 13.214 -1.543) 13.304 11.362 ( 0.000 4.543 13.080) 13.847 11.486 ( 0.000 2.455 4.880) 5.463 11.706 ( 0.000 -4.132 -4.541) 6.140 12.220 ( 0.000 3.404 -8.550) 9.203 12.813 ( 0.000 6.437 0.836) 6.491 12.836 ( 0.000 -8.693 0.460) 8.705 12.936 ( 0.000 2.475 1.458) 2.873 12.945 ( 0.000 12.194 16.584) 20.584 13.144 ( 0.000 0.209 6.498) 6.501 13.379 ( 0.000 -4.278 2.142) 4.785 13.472 ( 0.000 -10.625 -8.774) 13.780 13.717 ( 0.000 -1.500 -3.187) 3.522 13.895 ( 0.000 -2.697 -8.826) 9.229 13.973 ( 0.000 4.938 7.669) 9.121 14.361 ( 0.000 6.387 -0.611) 6.416 14.808 ( 0.000 1.706 14.111) 14.214 14.955 ( 0.000 1.345 18.592) 18.641 15.248 ( 0.000 -1.688 -25.569) 25.624 15.525 ( 0.000 -3.885 -11.789) 12.413 15.742 ( 0.000 20.479 9.948) 22.767 15.986 ( 0.000 6.864 -15.688) 17.124 16.282 ( 0.000 1.779 -8.367) 8.554 17.274 ( 0.000 -1.380 20.177) 20.224 17.670 ( 0.000 -25.941 13.346) 29.173 17.735 ( 0.000 -0.855 -18.524) 18.543 18.021 ( 0.000 4.787 -13.596) 14.414 18.195 ( 0.000 -13.423 0.326) 13.427 18.525 ( 0.000 -3.677 -6.587) 7.544 18.601 ( 0.000 -6.888 14.847) 16.366 18.999 ( 0.000 -9.936 -13.118) 16.456 19.149 ( 0.000 -13.077 -2.354) 13.287 21.231 ( 0.000 19.329 9.150) 21.385 21.248 ( 0.000 15.629 4.471) 16.256 21.649 ( 0.000 0.433 1.921) 1.969 22.108 ( 0.000 -5.384 -7.216) 9.004 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 10.792 14.690 17.467) 25.246 2.099 ( 3.971 24.519 15.474) 29.264 2.911 ( 1.913 -9.637 -3.933) 10.583 3.207 ( -3.668 -2.730 -3.314) 5.647 3.269 ( -0.499 0.241 3.234) 3.281 3.328 ( 9.304 7.702 13.336) 17.993 3.658 ( -3.952 -0.529 -2.538) 4.726 3.873 ( -1.153 0.473 -5.840) 5.972 4.044 ( -2.595 -1.590 -4.551) 5.475 4.136 ( -0.548 3.714 -2.386) 4.448 4.402 ( -3.375 -4.194 -14.070) 15.065 4.587 ( -4.417 -6.992 -3.196) 8.866 6.899 ( 5.512 13.804 10.920) 18.444 7.266 ( -3.441 11.951 5.711) 13.685 7.641 ( -0.622 -1.660 23.062) 23.130 7.954 ( 12.394 -0.545 6.342) 13.933 8.146 ( 6.230 -5.892 1.259) 8.667 8.298 ( 11.779 -5.768 5.316) 14.152 8.591 ( 14.202 5.263 3.285) 15.498 9.515 ( -3.341 2.553 -0.974) 4.316 9.592 ( 2.025 -11.981 -2.828) 12.475 10.007 ( -14.722 -1.627 -5.528) 15.810 10.426 ( 1.259 -4.595 -8.336) 9.602 10.622 ( 11.071 -11.338 -7.135) 17.378 10.975 ( -5.104 14.233 -3.328) 15.483 11.113 ( -14.273 7.178 1.269) 16.027 11.464 ( -5.870 -4.753 13.273) 15.271 11.758 ( 0.917 -1.549 -2.610) 3.171 12.229 ( 0.881 5.253 -8.265) 9.833 12.686 ( -5.945 3.194 1.968) 7.030 12.773 ( -2.624 -0.569 -4.321) 5.087 12.853 ( -7.666 5.077 6.576) 11.304 13.020 ( -0.811 -3.718 1.001) 3.935 13.203 ( 7.595 9.226 -2.430) 12.195 13.335 ( -5.164 -6.300 -2.425) 8.499 13.464 ( 6.148 -5.124 2.933) 8.524 13.846 ( 4.445 -0.639 -7.135) 8.430 14.074 ( 18.481 2.823 8.277) 20.446 14.133 ( 10.141 -2.709 -1.406) 10.591 14.354 ( 0.779 8.639 1.301) 8.771 14.757 ( -2.650 1.313 3.047) 4.246 15.057 ( 6.832 -2.292 23.247) 24.339 15.243 ( -0.227 0.607 -22.134) 22.143 15.513 ( -0.278 -2.398 -11.514) 11.764 15.766 ( -2.439 17.623 0.160) 17.792 15.911 ( -2.894 6.693 -3.671) 8.164 16.219 ( -2.890 -2.396 -3.877) 5.397 17.278 ( 0.230 4.954 15.035) 15.831 17.548 ( -11.115 7.815 -15.497) 20.610 17.829 ( 10.615 -30.035 7.460) 32.717 18.151 ( 9.764 -8.295 2.222) 13.003 18.224 ( 0.649 -8.075 -7.323) 10.920 18.488 ( -0.732 0.172 -0.736) 1.052 18.647 ( 1.929 -13.863 10.094) 17.257 18.992 ( -3.737 -8.779 -6.583) 11.592 19.092 ( -3.185 -12.086 -5.385) 13.609 21.225 ( -0.495 18.930 7.533) 20.380 21.238 ( -0.532 15.212 1.918) 15.341 21.640 ( -0.830 0.733 0.733) 1.328 22.021 ( -7.583 -3.260 -7.906) 11.430 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 9.104 14.563 13.629) 21.925 2.258 ( 14.484 11.212 11.504) 21.630 2.955 ( 1.674 -7.964 -0.749) 8.173 3.153 ( -0.892 -2.234 -8.917) 9.236 3.210 ( -3.338 -4.921 -0.107) 5.948 3.461 ( -2.531 -11.031 0.683) 11.338 3.552 ( -3.092 4.077 1.578) 5.354 3.859 ( -1.973 -0.365 1.378) 2.434 4.004 ( 0.303 3.566 -7.178) 8.021 4.127 ( 0.066 4.679 0.482) 4.704 4.298 ( -6.372 0.258 -10.390) 12.190 4.470 ( -5.985 -5.745 -0.934) 8.348 7.089 ( 13.331 11.403 10.134) 20.259 7.276 ( 4.039 23.822 4.724) 24.619 7.709 ( 7.117 -5.347 23.184) 24.834 8.209 ( 10.413 0.741 1.149) 10.502 8.254 ( 6.404 -2.977 -1.366) 7.193 8.638 ( 17.339 -6.153 12.456) 22.218 8.952 ( 18.919 -0.831 6.520) 20.028 9.377 ( -9.220 4.068 -1.320) 10.164 9.667 ( 3.918 -8.658 -0.435) 9.514 9.734 ( -10.110 -0.883 1.179) 10.217 10.446 ( 0.522 -9.060 -5.746) 10.741 10.623 ( -21.652 9.170 -7.812) 24.778 10.796 ( 4.312 -6.083 -3.214) 8.119 11.024 ( 1.297 8.346 -1.486) 8.576 11.311 ( -7.660 -6.687 7.100) 12.401 11.626 ( -12.244 -3.698 2.999) 13.137 12.275 ( 1.558 8.087 -10.373) 13.245 12.489 ( -14.769 9.490 -4.278) 18.069 12.710 ( -0.758 -4.599 -3.755) 5.986 12.768 ( -0.199 -4.386 -11.017) 11.860 13.102 ( 7.766 2.174 -1.555) 8.213 13.226 ( 1.039 3.273 -5.202) 6.233 13.388 ( 4.422 8.809 1.793) 10.018 13.618 ( 7.179 -4.488 6.789) 10.853 13.905 ( 1.920 -3.640 -2.230) 4.681 14.283 ( 2.941 3.800 -2.959) 5.643 14.318 ( 5.187 2.322 -4.290) 7.120 14.595 ( 18.125 3.381 14.101) 23.212 14.736 ( 1.474 -3.441 -9.734) 10.429 15.178 ( 2.933 -3.033 9.588) 10.475 15.208 ( -0.677 10.172 -9.599) 14.003 15.447 ( -15.830 2.089 -13.980) 21.223 15.644 ( 7.123 -2.617 -1.356) 7.709 16.066 ( 14.261 17.202 17.568) 28.424 16.248 ( 5.767 -9.009 0.656) 10.717 17.112 ( -14.018 14.045 -14.421) 24.530 17.522 ( 6.680 11.139 12.553) 18.063 18.018 ( 7.587 -35.483 4.538) 36.567 18.176 ( -4.991 -8.928 -8.558) 13.336 18.379 ( 9.548 -9.878 8.290) 16.045 18.494 ( 0.058 -0.508 4.257) 4.287 18.645 ( -3.156 -17.892 9.410) 20.460 18.793 ( -11.505 -8.915 2.690) 14.801 19.044 ( -3.810 -9.841 -3.382) 11.082 21.221 ( 0.620 15.982 -0.599) 16.005 21.243 ( 1.207 15.419 -0.934) 15.494 21.613 ( -1.786 1.570 -2.321) 3.323 21.834 ( -9.474 0.638 -10.436) 14.109 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 10.732 11.212 4.545) 16.172 2.566 ( 12.892 0.343 9.368) 15.940 2.960 ( -1.538 -4.288 -1.408) 4.768 3.135 ( -1.298 -4.902 -6.915) 8.575 3.178 ( -2.312 -5.009 -4.446) 7.086 3.327 ( -2.920 -6.720 -4.908) 8.819 3.513 ( -2.352 -2.917 3.400) 5.060 3.757 ( -6.385 -4.186 -0.907) 7.688 3.980 ( -3.599 5.451 -3.442) 7.384 4.114 ( -6.553 3.709 -5.014) 9.046 4.207 ( 2.127 0.988 1.527) 2.798 4.365 ( -3.920 -6.424 2.522) 7.937 7.420 ( 9.756 23.043 7.622) 26.158 7.459 ( 21.305 11.188 7.574) 25.227 7.880 ( 6.745 0.992 20.469) 21.575 8.318 ( 2.778 -3.316 0.243) 4.333 8.455 ( 9.546 2.518 2.757) 10.250 8.967 ( 12.589 -2.703 13.440) 18.613 9.112 ( -6.881 -2.851 -3.416) 8.194 9.331 ( 5.590 -2.613 4.703) 7.758 9.507 ( -7.290 -2.063 3.696) 8.430 9.869 ( 13.751 -2.465 -0.451) 13.977 10.138 ( -22.397 14.039 -13.142) 29.520 10.463 ( 1.449 -10.089 -3.248) 10.698 10.900 ( 5.968 -5.161 -0.445) 7.903 11.041 ( -1.776 -3.452 0.658) 3.937 11.167 ( -5.900 -0.712 4.133) 7.239 11.334 ( -13.798 -3.522 -1.753) 14.347 12.122 ( -11.915 14.626 -6.510) 19.957 12.279 ( -8.750 8.740 -3.159) 12.764 12.706 ( 0.039 -8.005 -10.163) 12.937 12.773 ( 0.933 -7.923 -10.669) 13.322 13.256 ( 5.569 8.866 -4.792) 11.514 13.364 ( 8.734 6.124 -3.395) 11.195 13.483 ( 7.939 5.461 -3.133) 10.133 13.714 ( 3.139 -4.496 0.424) 5.499 13.990 ( 6.691 -1.945 0.949) 7.032 14.286 ( -3.844 -1.362 -5.155) 6.574 14.364 ( -1.371 1.392 -3.142) 3.700 14.697 ( -0.483 -6.036 -5.837) 8.411 14.793 ( -8.219 5.719 -8.726) 13.281 15.135 ( -9.287 -3.766 -0.805) 10.054 15.243 ( 11.192 5.462 11.198) 16.747 15.405 ( 13.620 18.466 -4.748) 23.432 15.810 ( 5.634 -7.093 2.946) 9.525 16.396 ( 3.460 -3.902 -5.859) 7.844 16.475 ( 23.828 13.945 20.548) 34.416 16.897 ( -0.400 11.322 -5.955) 12.799 17.691 ( 8.242 4.057 10.635) 14.053 18.008 ( -11.427 -5.394 -1.471) 12.722 18.146 ( 2.815 -28.783 4.211) 29.225 18.316 ( -18.461 -9.505 1.127) 20.794 18.402 ( -3.955 -9.616 4.905) 11.496 18.622 ( 3.613 -11.919 12.668) 17.765 18.714 ( 1.527 -12.615 14.069) 18.958 18.908 ( -8.458 -10.261 4.609) 14.074 21.260 ( 3.136 13.832 -8.620) 16.597 21.295 ( 3.756 12.578 -5.233) 14.131 21.564 ( -2.946 3.030 -5.920) 7.274 21.646 ( -8.298 4.254 -13.252) 16.204 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 11.385 4.973 -1.781) 12.550 2.760 ( 4.738 -3.974 3.944) 7.334 2.895 ( -3.510 -2.808 -4.413) 6.299 2.975 ( -9.712 -4.714 -2.772) 11.146 3.226 ( 5.873 -4.729 -2.676) 8.001 3.335 ( -2.368 -0.005 -5.047) 5.575 3.501 ( 3.521 -6.329 2.199) 7.569 3.621 ( -6.492 -4.131 -0.617) 7.720 3.919 ( -0.804 5.888 -2.677) 6.517 3.970 ( -5.435 5.383 -4.251) 8.752 4.257 ( 1.866 -5.250 4.847) 7.384 4.300 ( -2.508 -7.438 4.880) 9.243 7.658 ( 12.245 20.730 9.798) 25.994 7.860 ( -0.908 12.426 13.677) 18.501 7.953 ( 15.896 7.595 7.625) 19.197 8.278 ( -8.959 0.824 7.693) 11.837 8.673 ( 12.042 -1.942 6.343) 13.748 8.906 ( -9.219 -3.178 6.087) 11.495 9.190 ( 4.007 -7.253 6.549) 10.562 9.255 ( -5.440 -5.531 -1.273) 7.862 9.523 ( 5.607 4.737 -5.560) 9.208 9.727 ( -14.153 11.519 -13.044) 22.431 10.246 ( 17.832 -4.359 -6.570) 19.497 10.486 ( -2.368 -8.103 -4.935) 9.778 10.903 ( -4.297 -5.157 -2.675) 7.226 10.989 ( -10.262 -2.673 7.766) 13.144 11.068 ( 6.411 -4.365 4.288) 8.862 11.171 ( -3.466 2.544 -0.629) 4.345 11.971 ( -1.497 14.979 -2.916) 15.333 12.063 ( -9.395 12.484 0.595) 15.636 12.726 ( 1.881 -10.796 -10.575) 15.229 12.770 ( -1.615 -10.121 -10.549) 14.708 13.354 ( 3.732 10.162 -5.230) 12.022 13.411 ( -1.477 9.209 -5.106) 10.633 13.783 ( 16.257 0.700 -6.649) 17.578 13.852 ( 10.850 -2.871 -5.148) 12.347 14.078 ( -6.574 5.212 -10.394) 13.358 14.123 ( -9.207 -11.534 -5.456) 15.735 14.289 ( 1.554 -1.098 1.188) 2.243 14.489 ( -13.603 4.490 -8.148) 16.480 14.802 ( 7.166 1.507 1.985) 7.587 14.967 ( -7.836 -2.708 3.099) 8.851 15.508 ( 11.216 5.413 11.763) 17.131 15.633 ( 2.369 7.281 2.378) 8.018 15.933 ( 10.734 8.175 -3.999) 14.073 16.231 ( -14.516 13.653 -13.094) 23.844 17.020 ( 26.576 5.794 16.634) 31.883 17.198 ( 21.394 -5.804 2.895) 22.355 17.599 ( -18.348 0.927 9.646) 20.749 17.785 ( -23.418 -5.027 1.844) 24.022 17.965 ( 7.151 -7.627 8.988) 13.787 18.142 ( -7.109 -20.028 4.394) 21.701 18.424 ( 6.362 -16.511 6.016) 18.689 18.588 ( -7.298 -6.840 4.404) 10.929 18.759 ( 1.519 -12.875 17.176) 21.519 18.781 ( -1.969 -14.185 14.222) 20.183 21.349 ( 5.191 11.254 -13.008) 17.966 21.386 ( 4.327 8.760 -8.842) 13.177 21.485 ( -5.374 6.922 -11.811) 14.707 21.496 ( -5.024 6.029 -10.599) 13.188 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.000 20.868 6.203) 21.771 2.533 ( 0.000 11.499 6.455) 13.187 2.654 ( 0.000 -4.053 3.041) 5.067 2.991 ( 0.000 -17.693 5.630) 18.567 3.369 ( 0.000 3.232 -5.399) 6.293 3.391 ( 0.000 2.279 0.210) 2.288 3.744 ( 0.000 5.496 0.110) 5.497 3.872 ( 0.000 -5.043 0.648) 5.084 4.078 ( 0.000 7.624 -7.547) 10.728 4.277 ( 0.000 -9.961 -11.522) 15.231 4.279 ( 0.000 9.117 -4.110) 10.000 4.464 ( 0.000 -9.434 -4.081) 10.279 7.089 ( 0.000 10.829 16.048) 19.360 7.269 ( 0.000 -7.034 15.056) 16.618 7.740 ( 0.000 2.796 23.919) 24.081 7.800 ( 0.000 -1.053 9.034) 9.095 7.990 ( 0.000 4.127 -0.202) 4.132 8.108 ( 0.000 -5.965 -8.570) 10.442 8.696 ( 0.000 18.941 0.246) 18.942 9.125 ( 0.000 -23.420 -0.755) 23.432 9.760 ( 0.000 12.314 1.712) 12.432 10.042 ( 0.000 -16.303 -1.046) 16.337 10.338 ( 0.000 1.250 -12.021) 12.086 10.368 ( 0.000 -1.777 -11.884) 12.016 11.319 ( 0.000 15.504 -4.852) 16.246 11.460 ( 0.000 4.952 11.679) 12.685 11.486 ( 0.000 -2.328 16.347) 16.512 11.596 ( 0.000 -7.840 -13.716) 15.799 12.350 ( 0.000 10.092 -8.807) 13.395 12.596 ( 0.000 -13.957 -4.578) 14.689 12.915 ( 0.000 5.049 1.089) 5.165 12.980 ( 0.000 -0.115 2.274) 2.277 13.141 ( 0.000 4.779 15.859) 16.563 13.157 ( 0.000 0.557 9.085) 9.102 13.309 ( 0.000 -2.246 -2.973) 3.726 13.314 ( 0.000 -3.803 -7.591) 8.490 13.708 ( 0.000 2.543 -9.122) 9.470 13.807 ( 0.000 -5.863 -6.407) 8.684 14.131 ( 0.000 10.502 16.094) 19.217 14.339 ( 0.000 -8.516 15.215) 17.437 14.834 ( 0.000 3.535 0.401) 3.557 14.924 ( 0.000 -4.271 2.095) 4.757 15.291 ( 0.000 5.677 -8.484) 10.208 15.421 ( 0.000 -6.579 -6.183) 9.028 16.122 ( 0.000 6.892 -14.205) 15.788 16.240 ( 0.000 -2.779 -11.075) 11.419 16.309 ( 0.000 32.392 7.045) 33.149 17.020 ( 0.000 -37.073 7.513) 37.826 17.351 ( 0.000 9.079 17.181) 19.433 17.580 ( 0.000 -12.594 9.550) 15.806 18.105 ( 0.000 3.250 -15.188) 15.532 18.125 ( 0.000 1.025 -15.073) 15.108 18.488 ( 0.000 0.465 -5.494) 5.514 18.528 ( 0.000 -2.361 4.925) 5.462 18.863 ( 0.000 -2.480 -9.106) 9.438 18.931 ( 0.000 -8.465 -1.491) 8.595 21.491 ( 0.000 9.733 2.841) 10.139 21.610 ( 0.000 18.151 3.523) 18.490 21.621 ( 0.000 -3.728 2.170) 4.314 21.921 ( 0.000 -13.226 -2.070) 13.387 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 5.196 18.575 6.923) 20.493 2.537 ( 0.516 12.212 6.003) 13.618 2.691 ( 3.525 -5.317 3.312) 7.188 2.981 ( -0.487 -16.596 4.482) 17.197 3.310 ( -5.086 3.382 -5.572) 8.267 3.377 ( -2.449 -2.787 -1.983) 4.207 3.714 ( -2.653 5.920 0.251) 6.492 3.848 ( -2.531 -6.249 1.411) 6.888 4.099 ( 2.156 9.428 -7.848) 12.455 4.265 ( -0.925 5.158 -5.110) 7.320 4.287 ( 0.150 -4.845 -9.247) 10.440 4.436 ( -2.666 -8.319 -3.537) 9.424 7.124 ( 4.127 10.597 16.197) 19.791 7.310 ( 4.980 -7.056 15.277) 17.549 7.775 ( 1.557 12.011 9.129) 15.167 7.953 ( 11.004 -4.516 6.388) 13.502 8.064 ( 7.808 2.145 5.588) 9.838 8.178 ( 8.968 -6.689 1.773) 11.328 8.794 ( 8.975 15.955 2.819) 18.522 9.183 ( 5.549 -21.930 0.963) 22.641 9.707 ( -5.419 10.148 1.394) 11.589 9.902 ( -10.453 -8.703 -0.907) 13.632 10.368 ( 0.445 -0.234 -10.295) 10.307 10.433 ( 5.404 -6.781 -8.791) 12.348 11.245 ( -9.870 6.446 4.063) 12.469 11.309 ( -6.115 10.110 -5.460) 13.016 11.393 ( -8.098 3.463 9.482) 12.942 11.643 ( -1.464 -10.596 -4.376) 11.557 12.373 ( 1.560 9.203 -6.901) 11.609 12.570 ( -2.194 -9.987 -3.105) 10.686 12.814 ( -5.180 3.616 -3.892) 7.420 12.912 ( -6.512 -6.040 -2.666) 9.273 13.032 ( -2.666 9.785 2.997) 10.575 13.200 ( -2.927 -7.234 -1.448) 7.937 13.356 ( 10.510 4.722 3.424) 12.019 13.411 ( 6.744 -1.219 1.541) 7.024 13.872 ( 8.408 4.310 -5.235) 10.801 13.995 ( 12.346 -6.892 -3.048) 14.465 14.214 ( 9.145 8.090 14.534) 18.982 14.384 ( 5.048 -6.737 13.225) 15.677 14.797 ( -2.468 6.133 -4.988) 8.282 14.950 ( 2.616 -7.959 3.157) 8.953 15.328 ( 3.278 6.540 -4.941) 8.828 15.444 ( 1.783 -4.769 -6.049) 7.907 15.968 ( -12.906 6.121 -11.108) 18.095 16.096 ( -9.428 -6.183 -5.239) 12.432 16.377 ( 5.938 33.002 7.592) 34.381 17.085 ( 4.794 -36.809 5.769) 37.565 17.470 ( 9.836 10.771 14.586) 20.628 17.670 ( 4.309 -4.161 -1.043) 6.080 17.962 ( -5.062 -0.562 -0.739) 5.147 18.099 ( -5.518 -9.240 -14.788) 18.290 18.528 ( 2.647 2.269 -3.822) 5.174 18.540 ( -0.007 0.745 5.596) 5.646 18.850 ( -3.953 -4.076 -3.295) 6.564 18.892 ( -1.521 -7.623 -5.069) 9.279 21.484 ( -0.570 9.578 1.180) 9.667 21.568 ( -2.726 11.548 1.398) 11.948 21.631 ( -0.038 1.918 1.141) 2.232 21.872 ( -4.368 -11.519 -3.473) 12.800 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 7.006 12.232 8.142) 16.279 2.566 ( 2.530 8.726 2.945) 9.551 2.793 ( 6.079 -2.662 5.428) 8.574 3.002 ( 3.293 -13.412 1.914) 13.942 3.177 ( -7.049 2.239 -6.741) 10.007 3.269 ( -7.612 -7.365 -4.860) 11.653 3.642 ( -4.268 5.510 0.766) 7.012 3.766 ( -5.076 -6.742 0.828) 8.480 4.143 ( 0.712 7.746 -7.154) 10.568 4.233 ( -2.048 4.506 -2.940) 5.757 4.268 ( -2.141 -2.448 -7.595) 8.262 4.355 ( -4.885 -5.883 -1.928) 7.887 7.294 ( 12.462 10.802 14.286) 21.819 7.497 ( 12.760 -8.464 16.054) 22.185 7.805 ( 2.499 19.631 3.128) 20.035 8.103 ( 4.689 -10.264 -3.246) 11.742 8.330 ( 15.213 7.685 9.811) 19.666 8.495 ( 18.014 -8.479 12.078) 23.287 9.047 ( 14.408 11.368 5.805) 19.249 9.349 ( 9.026 -15.609 3.673) 18.401 9.531 ( -9.529 4.938 1.429) 10.827 9.663 ( -12.314 -6.242 2.453) 14.022 10.375 ( 0.462 2.426 -7.447) 7.846 10.509 ( 0.998 -9.983 -5.781) 11.579 10.975 ( -13.980 12.417 -3.703) 19.061 11.163 ( -11.316 -6.273 3.482) 13.399 11.247 ( -2.350 11.486 -3.654) 12.280 11.487 ( -11.503 -10.427 -1.268) 15.577 12.424 ( 2.989 6.987 -9.199) 11.932 12.543 ( -2.163 -4.384 -7.605) 9.041 12.676 ( -9.486 1.520 -8.329) 12.714 12.705 ( -6.741 -1.826 -10.858) 12.910 13.172 ( 11.199 4.585 3.282) 12.539 13.242 ( 6.966 -1.319 2.213) 7.428 13.523 ( 4.132 1.772 0.146) 4.498 13.538 ( 5.528 -1.626 -0.098) 5.763 13.941 ( 0.150 8.477 -0.013) 8.478 14.160 ( 3.013 -11.104 4.367) 12.307 14.433 ( 7.113 5.570 0.497) 9.048 14.549 ( 7.032 -6.352 3.031) 9.949 14.825 ( 8.124 11.000 -2.576) 13.916 15.035 ( 5.252 -9.279 1.107) 10.719 15.388 ( -0.510 4.362 -4.069) 5.987 15.446 ( -2.836 -2.522 -8.934) 9.706 15.739 ( -2.373 12.634 -1.046) 12.897 16.010 ( 3.489 -13.537 3.270) 14.357 16.553 ( 10.960 30.677 10.952) 34.367 17.201 ( 6.323 -29.264 5.698) 30.476 17.486 ( -10.969 10.353 -12.494) 19.586 17.786 ( 9.703 1.863 5.141) 11.137 17.873 ( -6.939 -7.974 -1.603) 10.692 18.118 ( 9.195 -15.174 10.417) 20.574 18.485 ( -5.808 0.218 8.048) 9.927 18.532 ( -4.224 -1.893 2.569) 5.294 18.705 ( -7.372 3.010 0.867) 8.009 18.852 ( -3.801 -9.560 -2.277) 10.537 21.473 ( -0.326 9.042 -3.160) 9.584 21.517 ( -1.741 10.255 -3.038) 10.836 21.620 ( -0.924 0.663 -2.464) 2.714 21.763 ( -5.470 -7.506 -7.005) 11.633 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 6.444 5.943 5.589) 10.396 2.638 ( 4.012 1.810 0.426) 4.422 2.920 ( 2.750 3.203 5.442) 6.887 3.045 ( -2.579 -3.951 -0.347) 4.731 3.091 ( -6.178 -3.164 -8.435) 10.924 3.141 ( 7.368 -9.415 -2.839) 12.287 3.538 ( -5.624 4.222 1.184) 7.131 3.647 ( -6.138 -6.306 0.265) 8.804 4.100 ( -3.788 6.261 -3.785) 8.239 4.169 ( -4.614 1.215 -5.523) 7.298 4.216 ( -2.611 -0.180 -2.105) 3.359 4.246 ( -5.012 -5.215 0.104) 7.234 7.628 ( 18.588 9.714 12.390) 24.359 7.806 ( 15.107 -7.601 17.924) 24.643 7.907 ( 7.618 20.691 5.381) 22.696 8.199 ( 4.423 -9.586 2.007) 10.747 8.596 ( 9.290 10.586 7.239) 15.835 8.823 ( 11.780 -11.290 9.887) 19.078 9.173 ( -11.420 8.707 -1.625) 14.452 9.330 ( -6.650 -2.888 4.293) 8.426 9.461 ( 5.213 2.999 3.770) 7.098 9.679 ( 16.213 -14.748 1.714) 21.985 10.370 ( -14.678 6.695 -13.369) 20.952 10.393 ( -0.253 1.759 -5.647) 5.920 10.810 ( 1.330 -0.484 0.299) 1.447 10.917 ( -10.782 -8.540 -1.833) 13.876 11.204 ( -4.275 3.677 1.607) 5.863 11.277 ( -6.646 -3.117 -2.540) 7.767 12.364 ( -8.801 10.391 -9.023) 16.336 12.454 ( -3.183 8.053 -6.459) 10.803 12.554 ( -5.820 -7.419 -9.554) 13.423 12.623 ( -0.992 -7.526 -8.661) 11.516 13.404 ( 9.269 6.047 -2.290) 11.301 13.457 ( 13.311 2.707 -0.728) 13.603 13.589 ( 2.073 0.955 -5.647) 6.091 13.621 ( 4.814 -2.218 1.749) 5.582 13.957 ( 1.975 3.905 -1.187) 4.534 14.151 ( -2.645 -12.308 4.928) 13.519 14.439 ( -6.980 6.154 -5.472) 10.795 14.569 ( -4.449 -6.801 -3.840) 8.988 15.016 ( 5.435 13.896 -2.691) 15.162 15.167 ( 1.867 4.411 -0.359) 4.803 15.255 ( 1.426 -0.492 0.365) 1.552 15.469 ( 2.525 -14.312 -1.847) 14.650 15.926 ( 16.488 19.590 -0.958) 25.624 16.247 ( 17.429 -11.925 2.696) 21.290 16.831 ( 15.112 23.072 13.768) 30.827 17.193 ( -13.198 18.070 -11.344) 25.087 17.377 ( 8.124 -29.298 7.995) 31.437 17.632 ( -11.023 -23.709 -8.391) 27.460 18.063 ( 11.856 11.244 12.930) 20.837 18.230 ( -10.677 -2.227 11.347) 15.739 18.279 ( -11.405 -2.357 8.066) 14.166 18.379 ( -0.294 -13.236 14.452) 19.600 18.613 ( -2.547 2.142 5.434) 6.372 18.726 ( -7.926 -8.265 3.893) 12.094 21.478 ( 0.964 7.752 -8.206) 11.330 21.504 ( 0.373 7.347 -7.739) 10.678 21.596 ( -1.396 0.597 -6.606) 6.779 21.658 ( -4.456 -2.903 -10.584) 11.845 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 7.056 1.424 1.261) 7.308 2.729 ( 4.637 -0.063 -1.640) 4.919 2.847 ( -5.277 -0.753 -1.520) 5.543 2.888 ( -8.418 -4.149 -3.492) 10.013 3.209 ( 9.624 3.601 0.380) 10.283 3.326 ( 8.024 -5.450 -1.553) 9.824 3.405 ( -6.530 1.811 2.564) 7.245 3.509 ( -7.274 -6.595 0.449) 9.829 4.039 ( -1.092 6.175 -1.941) 6.564 4.071 ( -3.820 4.798 -3.269) 6.949 4.161 ( -1.750 -5.247 0.109) 5.532 4.168 ( -2.303 -5.508 0.007) 5.970 7.995 ( 13.041 10.471 12.145) 20.669 8.042 ( 7.804 5.968 16.497) 19.200 8.099 ( 7.688 6.725 13.463) 16.899 8.243 ( -2.228 -5.143 11.048) 12.388 8.737 ( 6.355 8.864 4.292) 11.720 8.919 ( -10.680 5.367 1.872) 12.098 8.970 ( 3.652 -13.243 4.711) 14.523 9.093 ( -9.820 -10.368 0.532) 14.290 9.714 ( 13.104 14.147 -7.459) 20.676 9.994 ( -4.303 6.423 -13.273) 15.360 10.044 ( 3.770 -6.388 -11.001) 13.268 10.306 ( -10.147 -12.569 -13.128) 20.815 10.845 ( 5.699 2.214 4.258) 7.450 10.950 ( 9.531 -6.298 4.967) 12.457 11.042 ( -9.752 5.364 4.989) 12.197 11.153 ( -7.925 -4.308 1.786) 9.195 12.256 ( -0.659 13.934 -6.067) 15.212 12.326 ( -6.441 13.337 -3.965) 15.333 12.508 ( 0.746 -11.799 -8.950) 14.828 12.566 ( -3.876 -11.086 -8.098) 14.265 13.552 ( 4.635 9.668 -5.372) 11.992 13.602 ( 0.104 10.098 -5.250) 11.382 13.728 ( 8.607 -8.225 -8.680) 14.733 13.778 ( 8.779 -5.591 -4.417) 11.307 13.985 ( 0.625 2.601 -2.369) 3.573 14.159 ( 6.859 -10.346 4.259) 13.123 14.193 ( -14.316 6.991 -4.406) 16.530 14.383 ( -11.926 -10.687 -1.232) 16.062 15.081 ( 2.368 20.880 -2.710) 21.188 15.125 ( -1.625 16.368 -0.473) 16.455 15.419 ( 6.719 -12.417 6.629) 15.597 15.495 ( -0.752 -17.596 2.365) 17.770 16.319 ( 19.021 25.713 -8.204) 33.019 16.566 ( 3.879 13.772 -8.417) 16.600 16.951 ( -0.448 -11.027 -5.890) 12.509 17.095 ( -0.202 -8.940 1.711) 9.104 17.475 ( 5.956 -4.025 8.707) 11.291 17.618 ( 11.483 -13.697 12.333) 21.716 17.845 ( -19.642 3.785 15.570) 25.349 17.956 ( -16.725 -5.613 12.167) 21.430 18.304 ( 10.581 4.490 10.493) 15.563 18.465 ( 1.382 -7.764 9.778) 12.562 18.542 ( -5.747 -6.160 10.314) 13.317 18.569 ( -3.489 -6.924 11.098) 13.538 21.514 ( 2.283 5.237 -11.463) 12.808 21.525 ( 1.438 4.481 -10.333) 11.355 21.563 ( -1.599 1.815 -9.655) 9.953 21.578 ( -3.246 1.200 -12.269) 12.748 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.000 0.000 29.675) 29.675 2.189 ( 0.000 0.000 28.900) 28.900 2.900 ( 0.000 0.000 -10.901) 10.901 3.060 ( 0.000 0.000 11.414) 11.414 3.136 ( 0.000 0.000 2.488) 2.488 3.547 ( 0.000 0.000 3.175) 3.175 3.768 ( 0.000 0.000 1.640) 1.640 3.888 ( 0.000 0.000 -5.974) 5.974 3.945 ( 0.000 0.000 -6.048) 6.048 4.075 ( 0.000 0.000 3.345) 3.345 4.187 ( 0.000 0.000 -17.719) 17.719 4.734 ( 0.000 0.000 -4.513) 4.513 6.510 ( 0.000 0.000 13.072) 13.072 7.550 ( 0.000 0.000 8.803) 8.803 7.866 ( 0.000 0.000 -5.835) 5.835 7.902 ( 0.000 0.000 -5.776) 5.776 8.293 ( 0.000 0.000 10.432) 10.432 8.450 ( 0.000 0.000 17.000) 17.000 8.705 ( 0.000 0.000 33.406) 33.406 9.397 ( 0.000 0.000 -3.208) 3.208 9.669 ( 0.000 0.000 -14.314) 14.314 9.896 ( 0.000 0.000 -3.038) 3.038 10.198 ( 0.000 0.000 -9.369) 9.369 10.770 ( 0.000 0.000 -13.032) 13.032 10.956 ( 0.000 0.000 -15.624) 15.624 11.052 ( 0.000 0.000 14.850) 14.850 11.206 ( 0.000 0.000 -17.444) 17.444 11.970 ( 0.000 0.000 4.904) 4.904 12.154 ( 0.000 0.000 -3.100) 3.100 12.638 ( 0.000 0.000 -11.237) 11.237 12.746 ( 0.000 0.000 15.453) 15.453 12.841 ( 0.000 0.000 6.099) 6.099 13.245 ( 0.000 0.000 -2.993) 2.993 13.252 ( 0.000 0.000 9.911) 9.911 13.526 ( 0.000 0.000 0.612) 0.612 13.619 ( 0.000 0.000 -14.728) 14.728 13.750 ( 0.000 0.000 5.019) 5.019 13.847 ( 0.000 0.000 2.282) 2.282 13.911 ( 0.000 0.000 12.164) 12.164 14.072 ( 0.000 0.000 2.457) 2.457 14.777 ( 0.000 0.000 14.854) 14.854 14.793 ( 0.000 0.000 -23.081) 23.081 15.382 ( 0.000 0.000 28.373) 28.373 15.480 ( 0.000 0.000 -11.346) 11.346 15.481 ( 0.000 0.000 -17.492) 17.492 15.748 ( 0.000 0.000 -8.261) 8.261 16.102 ( 0.000 0.000 20.405) 20.405 16.954 ( 0.000 0.000 -33.158) 33.158 17.584 ( 0.000 0.000 -19.569) 19.569 17.787 ( 0.000 0.000 20.634) 20.634 18.226 ( 0.000 0.000 -13.980) 13.980 18.532 ( 0.000 0.000 10.962) 10.962 18.933 ( 0.000 0.000 0.796) 0.796 18.982 ( 0.000 0.000 4.303) 4.303 19.269 ( 0.000 0.000 -15.138) 15.138 19.348 ( 0.000 0.000 -4.048) 4.048 20.930 ( 0.000 0.000 9.667) 9.667 21.094 ( 0.000 0.000 17.961) 17.961 21.646 ( 0.000 0.000 1.074) 1.074 21.877 ( 0.000 0.000 -10.596) 10.596 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 1.656 0.000 25.399) 25.453 2.305 ( 10.500 0.000 25.507) 27.583 2.911 ( 1.107 0.000 -11.194) 11.248 3.162 ( 2.361 0.000 2.660) 3.557 3.227 ( 10.777 0.000 2.152) 10.990 3.510 ( 0.380 0.000 11.939) 11.945 3.738 ( -5.842 0.000 1.394) 6.006 3.844 ( -1.090 0.000 -10.173) 10.231 3.895 ( -4.658 0.000 -6.046) 7.632 4.114 ( 3.425 0.000 6.342) 7.208 4.122 ( -6.104 0.000 -16.734) 17.813 4.700 ( -2.971 0.000 -3.205) 4.370 6.572 ( 5.637 0.000 12.980) 14.151 7.348 ( -10.891 0.000 16.998) 20.188 7.910 ( 3.340 0.000 -5.381) 6.333 7.986 ( 6.624 0.000 -7.482) 9.993 8.448 ( 1.687 0.000 21.646) 21.712 8.555 ( 17.479 0.000 2.823) 17.705 8.892 ( 15.782 0.000 25.582) 30.058 9.357 ( -3.649 0.000 -3.727) 5.216 9.644 ( -2.308 0.000 -10.356) 10.610 9.826 ( -3.725 0.000 -0.314) 3.738 10.375 ( 12.922 0.000 -9.310) 15.926 10.589 ( -14.145 0.000 -13.307) 19.421 10.829 ( -7.227 0.000 -2.455) 7.633 11.120 ( 2.214 0.000 -1.419) 2.630 11.339 ( 9.724 0.000 -12.274) 15.659 11.949 ( -2.422 0.000 5.773) 6.260 12.095 ( -5.893 0.000 -2.730) 6.494 12.423 ( -17.478 0.000 -8.478) 19.425 12.746 ( -5.148 0.000 2.818) 5.869 12.807 ( 1.684 0.000 3.888) 4.237 13.086 ( -11.703 0.000 9.337) 14.971 13.149 ( -5.183 0.000 0.738) 5.236 13.504 ( -4.265 0.000 -6.161) 7.493 13.519 ( -1.836 0.000 3.370) 3.838 13.930 ( 7.368 0.000 -14.144) 15.948 13.998 ( 14.757 0.000 15.541) 21.431 14.059 ( 4.597 0.000 -3.791) 5.959 14.209 ( 17.287 0.000 9.432) 19.693 14.662 ( -8.278 0.000 15.637) 17.693 14.757 ( -3.049 0.000 -21.165) 21.384 15.359 ( -11.566 0.000 -14.856) 18.827 15.519 ( 7.136 0.000 -5.961) 9.298 15.629 ( 16.886 0.000 23.814) 29.193 15.861 ( 10.719 0.000 -12.760) 16.665 16.124 ( 2.834 0.000 25.156) 25.315 16.714 ( -18.015 0.000 -29.320) 34.412 17.723 ( -3.726 0.000 21.609) 21.928 17.772 ( 12.727 0.000 -20.087) 23.779 18.275 ( 3.659 0.000 -13.916) 14.389 18.705 ( 14.593 0.000 12.320) 19.098 19.005 ( 2.118 0.000 4.290) 4.784 19.024 ( 5.334 0.000 -1.852) 5.646 19.199 ( -4.809 0.000 -12.347) 13.250 19.355 ( 0.645 0.000 -3.624) 3.681 20.859 ( -6.582 0.000 7.291) 9.823 21.062 ( -2.781 0.000 16.078) 16.317 21.608 ( -3.559 0.000 0.012) 3.559 21.740 ( -12.195 0.000 -10.404) 16.030 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 4.916 0.000 15.556) 16.315 2.584 ( 15.077 0.000 18.113) 23.567 2.944 ( 1.847 0.000 -12.431) 12.567 3.220 ( -7.220 0.000 -2.844) 7.759 3.225 ( 3.432 0.000 3.116) 4.636 3.542 ( -9.428 0.000 2.205) 9.682 3.747 ( 12.176 0.000 2.089) 12.354 3.767 ( -7.020 0.000 -5.959) 9.208 3.829 ( -1.687 0.000 -7.562) 7.748 3.946 ( -10.167 0.000 -14.269) 17.521 4.224 ( 8.483 0.000 13.182) 15.676 4.645 ( -1.116 0.000 0.849) 1.402 6.733 ( 9.652 0.000 12.258) 15.602 7.250 ( 2.200 0.000 17.711) 17.847 7.951 ( -0.784 0.000 -4.362) 4.432 8.158 ( 9.248 0.000 -4.950) 10.489 8.553 ( 8.370 0.000 21.646) 23.208 8.871 ( 12.664 0.000 -4.616) 13.479 9.258 ( -5.523 0.000 -5.448) 7.758 9.298 ( 21.873 0.000 17.233) 27.846 9.582 ( -3.390 0.000 -0.065) 3.391 9.766 ( -3.328 0.000 2.757) 4.322 10.209 ( -18.657 0.000 -2.446) 18.817 10.687 ( 13.723 0.000 -9.482) 16.680 10.721 ( -2.574 0.000 -2.203) 3.388 11.112 ( -2.892 0.000 -8.288) 8.778 11.515 ( 4.980 0.000 -1.328) 5.154 11.841 ( -9.590 0.000 10.301) 14.074 11.935 ( -27.557 0.000 -16.757) 32.252 11.949 ( -3.988 0.000 -8.680) 9.552 12.725 ( 2.050 0.000 -4.834) 5.251 12.834 ( 2.233 0.000 3.352) 4.027 12.899 ( -4.292 0.000 3.391) 5.470 13.106 ( -0.000 0.000 3.153) 3.153 13.440 ( -4.676 0.000 4.744) 6.661 13.470 ( 0.345 0.000 -2.508) 2.531 14.028 ( 2.615 0.000 -14.922) 15.149 14.095 ( 0.350 0.000 -12.622) 12.626 14.271 ( 4.210 0.000 8.270) 9.280 14.539 ( 3.557 0.000 -10.177) 10.781 14.593 ( 8.132 0.000 19.078) 20.739 14.737 ( 3.409 0.000 -10.792) 11.318 15.091 ( -6.917 0.000 -1.906) 7.174 15.642 ( 3.834 0.000 -6.306) 7.380 16.091 ( 25.660 0.000 26.530) 36.910 16.152 ( 12.453 0.000 -3.732) 13.000 16.243 ( 11.608 0.000 20.407) 23.477 16.324 ( -17.834 0.000 -22.833) 28.973 17.699 ( 2.326 0.000 20.859) 20.988 17.984 ( 6.000 0.000 -14.790) 15.961 18.383 ( 6.214 0.000 -11.608) 13.167 18.835 ( -10.353 0.000 -5.485) 11.717 19.069 ( 3.946 0.000 4.231) 5.785 19.119 ( 12.545 0.000 11.999) 17.360 19.217 ( 2.735 0.000 0.095) 2.736 19.371 ( 0.792 0.000 -2.257) 2.392 20.682 ( -9.245 0.000 -0.527) 9.261 20.996 ( -2.934 0.000 10.204) 10.618 21.425 ( -16.612 0.000 -12.393) 20.725 21.503 ( -6.391 0.000 -2.827) 6.988 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 9.160 0.000 4.418) 10.170 2.889 ( 13.277 0.000 10.685) 17.043 2.926 ( -6.531 0.000 -12.325) 13.949 3.102 ( -0.917 0.000 -4.339) 4.434 3.286 ( 1.714 0.000 3.663) 4.044 3.358 ( -7.615 0.000 -1.390) 7.741 3.625 ( -6.021 0.000 -5.943) 8.460 3.732 ( -9.316 0.000 -11.034) 14.441 3.758 ( -3.850 0.000 -5.328) 6.574 3.833 ( -2.636 0.000 -1.397) 2.984 4.485 ( 13.423 0.000 15.135) 20.230 4.670 ( 2.813 0.000 5.720) 6.374 6.969 ( 12.864 0.000 10.052) 16.325 7.435 ( 15.069 0.000 11.247) 18.804 7.845 ( -9.358 0.000 -2.798) 9.767 8.327 ( 5.345 0.000 -0.938) 5.427 8.786 ( 13.556 0.000 20.001) 24.162 9.080 ( 4.387 0.000 -14.162) 14.826 9.140 ( -4.495 0.000 -12.041) 12.852 9.502 ( -4.707 0.000 11.008) 11.972 9.598 ( -10.531 0.000 6.375) 12.310 9.753 ( 20.721 0.000 7.922) 22.184 9.934 ( -6.488 0.000 16.554) 17.780 10.732 ( 3.359 0.000 -5.636) 6.561 10.924 ( 8.689 0.000 -3.043) 9.206 10.984 ( -10.894 0.000 -11.598) 15.912 11.380 ( -22.138 0.000 -16.602) 27.672 11.491 ( -7.916 0.000 9.392) 12.283 11.648 ( -4.050 0.000 8.141) 9.092 11.929 ( -1.335 0.000 -11.988) 12.062 12.756 ( 1.502 0.000 -8.341) 8.475 12.897 ( 0.611 0.000 -6.552) 6.580 12.911 ( 4.723 0.000 3.366) 5.800 13.109 ( -0.149 0.000 1.571) 1.578 13.422 ( 5.572 0.000 -0.712) 5.617 13.496 ( 2.061 0.000 -1.239) 2.405 13.969 ( -8.782 0.000 -3.673) 9.520 14.101 ( 0.516 0.000 -14.931) 14.940 14.342 ( 8.782 0.000 -6.485) 10.916 14.420 ( -11.473 0.000 -15.815) 19.538 14.547 ( -13.970 0.000 -18.310) 23.031 14.878 ( 11.661 0.000 12.274) 16.930 15.353 ( 21.206 0.000 17.919) 27.763 15.643 ( -2.859 0.000 -4.799) 5.586 16.024 ( -10.128 0.000 -9.196) 13.680 16.230 ( -1.981 0.000 20.387) 20.483 16.663 ( 28.339 0.000 23.196) 36.622 16.676 ( 25.166 0.000 -1.315) 25.200 17.838 ( 9.984 0.000 16.238) 19.062 17.982 ( -6.509 0.000 -4.352) 7.830 18.353 ( -13.654 0.000 -13.574) 19.253 18.718 ( 6.244 0.000 1.829) 6.507 19.126 ( -8.790 0.000 7.750) 11.719 19.164 ( 4.925 0.000 4.078) 6.394 19.366 ( 5.045 0.000 20.250) 20.869 19.377 ( -0.534 0.000 0.188) 0.566 20.538 ( -2.818 0.000 -13.438) 13.731 20.968 ( 0.741 0.000 1.276) 1.476 21.091 ( -14.866 0.000 -16.907) 22.513 21.350 ( -8.011 0.000 -6.286) 10.183 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 12.687 0.000 -4.569) 13.485 2.705 ( -12.823 0.000 -9.445) 15.926 3.120 ( 8.838 0.000 5.077) 10.192 3.145 ( 3.319 0.000 -6.568) 7.358 3.228 ( -4.901 0.000 -4.036) 6.349 3.262 ( -4.456 0.000 3.351) 5.575 3.549 ( -0.617 0.000 -5.960) 5.991 3.590 ( -4.242 0.000 -7.014) 8.197 3.706 ( -0.243 0.000 -1.235) 1.258 3.750 ( -3.905 0.000 -0.966) 4.023 4.685 ( 5.309 0.000 12.526) 13.605 4.722 ( 1.178 0.000 9.596) 9.668 7.265 ( 15.224 0.000 6.037) 16.378 7.584 ( -14.753 0.000 1.082) 14.793 7.843 ( 22.528 0.000 3.674) 22.825 8.265 ( -13.812 0.000 1.276) 13.870 9.007 ( -1.811 0.000 -18.519) 18.607 9.067 ( -5.479 0.000 -18.496) 19.291 9.091 ( 14.662 0.000 19.355) 24.281 9.355 ( -9.960 0.000 17.768) 20.369 9.609 ( 9.343 0.000 19.960) 22.038 9.807 ( -7.800 0.000 18.539) 20.113 10.157 ( 18.846 0.000 -4.588) 19.397 10.574 ( -20.792 0.000 -14.335) 25.255 10.899 ( 7.826 0.000 -6.451) 10.142 11.081 ( 7.676 0.000 6.033) 9.763 11.083 ( -9.451 0.000 -9.628) 13.491 11.273 ( -10.642 0.000 10.315) 14.820 11.684 ( 5.665 0.000 2.256) 6.098 11.832 ( -7.247 0.000 -4.810) 8.698 12.809 ( 3.235 0.000 -12.726) 13.131 12.871 ( -2.420 0.000 -12.256) 12.493 13.011 ( 4.506 0.000 1.799) 4.852 13.085 ( -2.371 0.000 0.974) 2.564 13.576 ( 6.145 0.000 -0.240) 6.150 13.669 ( 16.072 0.000 -8.967) 18.404 13.753 ( -10.364 0.000 0.387) 10.371 14.019 ( -14.749 0.000 -15.779) 21.598 14.213 ( 0.909 0.000 -11.687) 11.722 14.330 ( -8.087 0.000 -14.469) 16.576 14.609 ( 15.180 0.000 -11.662) 19.143 14.898 ( -9.719 0.000 -6.536) 11.712 15.672 ( 7.072 0.000 4.938) 8.626 15.773 ( 18.109 0.000 19.808) 26.839 15.849 ( -8.310 0.000 3.923) 9.189 16.086 ( -11.421 0.000 21.033) 23.934 17.231 ( 27.172 0.000 -3.233) 27.363 17.241 ( 26.156 0.000 16.703) 31.034 17.716 ( -18.534 0.000 7.247) 19.900 17.765 ( -21.683 0.000 -3.545) 21.970 18.321 ( 16.651 0.000 7.354) 18.203 18.712 ( -15.706 0.000 4.014) 16.211 19.065 ( 10.361 0.000 15.717) 18.825 19.264 ( 4.473 0.000 3.732) 5.825 19.309 ( -9.429 0.000 19.493) 21.654 19.342 ( -2.830 0.000 2.583) 3.831 20.598 ( 7.777 0.000 -20.502) 21.927 20.812 ( -11.981 0.000 -20.126) 23.422 21.035 ( 5.500 0.000 -6.116) 8.225 21.180 ( -7.973 0.000 -8.273) 11.489 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.000 12.771 26.448) 29.370 2.160 ( 0.000 -0.994 26.809) 26.828 2.864 ( 0.000 -3.365 -9.363) 9.949 3.177 ( 0.000 3.640 1.593) 3.973 3.190 ( 0.000 10.758 5.352) 12.016 3.527 ( 0.000 -3.063 7.784) 8.365 3.725 ( 0.000 -3.800 0.192) 3.805 3.756 ( 0.000 -7.160 -10.367) 12.599 3.984 ( 0.000 0.725 -1.679) 1.828 4.105 ( 0.000 1.482 -0.325) 1.518 4.172 ( 0.000 -1.610 -16.883) 16.960 4.679 ( 0.000 -5.365 -4.985) 7.323 6.660 ( 0.000 14.156 10.489) 17.619 7.538 ( 0.000 -1.086 6.966) 7.050 7.858 ( 0.000 -3.991 0.186) 3.995 7.905 ( 0.000 3.391 -4.473) 5.613 8.274 ( 0.000 0.311 9.963) 9.968 8.456 ( 0.000 0.116 16.553) 16.553 8.643 ( 0.000 -6.041 32.522) 33.078 9.441 ( 0.000 4.369 -2.265) 4.921 9.634 ( 0.000 -4.792 -9.821) 10.927 9.958 ( 0.000 6.826 -5.683) 8.882 10.200 ( 0.000 0.044 -9.164) 9.164 10.568 ( 0.000 -13.790 -10.686) 17.446 11.013 ( 0.000 -2.164 7.284) 7.598 11.129 ( 0.000 10.625 -15.972) 19.183 11.306 ( 0.000 8.710 -8.429) 12.121 11.924 ( 0.000 -4.082 6.362) 7.559 12.087 ( 0.000 -5.345 -3.684) 6.492 12.673 ( 0.000 2.128 -15.004) 15.154 12.793 ( 0.000 3.374 7.809) 8.506 12.976 ( 0.000 13.419 13.200) 18.823 13.115 ( 0.000 -8.256 1.452) 8.382 13.264 ( 0.000 -1.386 6.700) 6.842 13.501 ( 0.000 -4.303 -4.276) 6.066 13.643 ( 0.000 -9.831 10.416) 14.323 13.710 ( 0.000 -7.644 -8.629) 11.528 13.722 ( 0.000 7.929 -6.761) 10.420 14.068 ( 0.000 9.221 14.718) 17.368 14.084 ( 0.000 4.166 -0.745) 4.232 14.763 ( 0.000 -2.859 -22.227) 22.410 14.942 ( 0.000 13.807 13.494) 19.306 15.384 ( 0.000 0.561 17.836) 17.845 15.398 ( 0.000 -6.121 -9.955) 11.686 15.561 ( 0.000 7.340 -7.146) 10.244 15.766 ( 0.000 0.961 -2.032) 2.248 16.151 ( 0.000 4.698 13.131) 13.946 17.039 ( 0.000 8.257 -31.723) 32.780 17.618 ( 0.000 3.309 -18.580) 18.873 17.750 ( 0.000 -3.666 19.969) 20.303 18.200 ( 0.000 -3.096 -11.289) 11.705 18.394 ( 0.000 -14.870 6.586) 16.263 18.773 ( 0.000 -17.065 4.873) 17.747 18.896 ( 0.000 -3.570 0.044) 3.570 19.147 ( 0.000 -17.903 -1.606) 17.975 19.217 ( 0.000 -5.570 -10.353) 11.756 21.072 ( 0.000 12.586 8.103) 14.969 21.192 ( 0.000 9.402 15.083) 17.774 21.659 ( 0.000 1.251 1.019) 1.613 21.927 ( 0.000 3.518 -10.526) 11.098 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 1.037 11.214 21.925) 24.648 2.287 ( 10.697 -0.256 24.556) 26.786 2.882 ( 1.706 -2.788 -9.760) 10.293 3.152 ( -1.255 0.001 0.201) 1.271 3.325 ( 6.430 6.537 -0.366) 9.177 3.521 ( 3.176 -0.024 14.178) 14.530 3.679 ( -4.647 -3.937 -0.968) 6.167 3.742 ( -1.088 -6.203 -10.517) 12.258 3.940 ( -4.249 1.480 -5.198) 6.875 4.105 ( -1.185 -0.704 -4.328) 4.542 4.143 ( -0.953 0.952 -7.437) 7.558 4.643 ( -3.123 -5.447 -3.762) 7.319 6.727 ( 6.177 14.763 10.690) 19.245 7.373 ( -8.866 2.719 16.163) 18.635 7.934 ( 4.513 0.243 -4.308) 6.244 7.977 ( 6.903 0.979 -4.835) 8.485 8.386 ( 0.969 -4.722 19.602) 20.186 8.531 ( 15.563 -2.553 7.781) 17.586 8.858 ( 16.051 -2.992 23.121) 28.305 9.394 ( -4.263 4.091 -2.162) 6.292 9.653 ( 1.564 -1.997 -7.489) 7.907 9.851 ( -6.171 3.897 -1.458) 7.443 10.354 ( 10.638 -2.458 -8.923) 14.100 10.555 ( -4.287 -2.316 -10.122) 11.234 10.874 ( -12.430 1.463 -12.479) 17.674 10.992 ( -1.955 -4.446 5.579) 7.397 11.508 ( 10.534 11.359 -10.223) 18.561 11.859 ( -5.745 -8.095 6.293) 11.753 12.065 ( -3.908 -2.294 -3.166) 5.528 12.490 ( -15.085 4.699 -13.940) 21.070 12.718 ( -5.582 -0.290 1.509) 5.789 12.964 ( -4.229 10.267 4.355) 11.928 13.029 ( -8.639 -3.939 6.593) 11.559 13.118 ( -3.043 -0.974 4.995) 5.929 13.453 ( -2.443 -5.876 1.761) 6.602 13.620 ( 0.090 6.806 -1.894) 7.065 13.860 ( 14.976 -8.879 9.515) 19.841 13.940 ( 7.741 1.975 -10.540) 13.225 14.053 ( 0.487 0.426 -7.558) 7.586 14.309 ( 17.608 7.407 13.635) 23.470 14.693 ( -5.140 -2.656 -13.791) 14.956 14.883 ( -3.825 15.845 7.912) 18.119 15.378 ( -3.023 -4.043 -12.241) 13.241 15.413 ( -6.427 -1.138 -12.283) 13.909 15.622 ( 15.431 -2.205 24.614) 29.135 15.909 ( 11.521 3.287 -1.727) 12.105 16.179 ( 3.444 5.552 15.766) 17.066 16.811 ( -16.500 9.417 -26.969) 32.989 17.711 ( -1.780 -0.808 20.880) 20.971 17.801 ( 12.063 2.595 -19.895) 23.411 18.252 ( 3.646 -2.374 -13.974) 14.636 18.531 ( 11.598 -19.754 9.066) 24.636 18.796 ( 2.244 -14.750 4.830) 15.682 18.987 ( 6.028 -4.799 -2.537) 8.112 19.151 ( -3.661 -7.325 -4.599) 9.392 19.153 ( -0.395 -15.703 -2.414) 15.892 21.011 ( -5.583 13.400 5.841) 15.648 21.157 ( -3.109 9.059 13.338) 16.420 21.622 ( -3.492 1.421 -0.165) 3.773 21.803 ( -11.042 4.628 -10.424) 15.874 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 3.918 9.904 13.157) 16.928 2.563 ( 14.636 -1.529 18.093) 23.322 2.930 ( 2.604 -1.426 -11.043) 11.435 3.108 ( -3.405 -4.983 -0.754) 6.082 3.299 ( -4.355 -0.050 1.154) 4.506 3.517 ( -7.323 -1.531 0.179) 7.484 3.673 ( -3.476 -7.579 -3.342) 8.983 3.785 ( 9.749 3.538 -0.192) 10.373 3.825 ( -6.263 0.256 -9.061) 11.018 4.006 ( -6.537 3.637 -12.410) 14.490 4.211 ( 7.018 -1.160 10.128) 12.377 4.582 ( -1.694 -5.948 -0.087) 6.185 6.903 ( 10.424 16.334 10.797) 22.182 7.301 ( 2.736 5.353 17.818) 18.805 8.005 ( 1.301 4.268 -3.511) 5.678 8.159 ( 9.691 1.062 -3.200) 10.261 8.471 ( 7.844 -7.790 20.264) 23.083 8.864 ( 14.785 -0.882 -0.499) 14.819 9.153 ( 3.644 -5.839 1.286) 7.002 9.357 ( 8.337 2.997 11.539) 14.548 9.662 ( -1.719 5.479 -0.916) 5.815 9.779 ( -0.413 0.912 4.918) 5.019 10.247 ( -21.136 5.169 -5.609) 22.470 10.553 ( 7.124 -9.771 -7.082) 14.014 10.814 ( 2.978 5.408 -5.820) 8.485 10.956 ( -0.269 -11.304 -4.409) 12.136 11.612 ( -6.868 0.147 6.788) 9.658 11.744 ( -1.660 -2.965 -2.547) 4.247 11.896 ( -11.295 0.711 -8.448) 14.123 12.091 ( -18.102 7.937 -16.512) 25.755 12.680 ( 1.023 -4.018 -5.192) 6.644 12.809 ( -5.184 -5.885 2.070) 8.112 12.967 ( 0.865 9.690 3.931) 10.493 13.134 ( 2.688 2.921 3.997) 5.633 13.408 ( -2.085 -1.361 4.589) 5.221 13.624 ( 0.176 12.350 -1.779) 12.478 13.948 ( -3.774 -6.265 -8.647) 11.325 14.091 ( 2.918 4.149 -9.546) 10.810 14.213 ( 13.460 -9.280 0.946) 16.377 14.621 ( 4.725 5.068 -6.836) 9.733 14.637 ( 2.866 -1.058 -2.421) 3.898 14.829 ( -3.328 16.701 3.158) 17.319 15.160 ( -1.674 5.722 1.941) 6.270 15.474 ( 4.229 -13.861 -4.557) 15.191 15.961 ( 13.232 -11.498 13.399) 22.064 16.225 ( 18.948 5.042 10.376) 22.184 16.250 ( -1.727 5.502 -2.316) 6.214 16.541 ( -1.671 14.578 -2.983) 14.974 17.720 ( 3.159 2.593 19.321) 19.749 17.994 ( 5.072 0.247 -15.188) 16.014 18.357 ( 5.947 -2.318 -11.430) 13.091 18.739 ( 5.545 -27.050 3.646) 27.852 18.767 ( -7.891 -6.971 -3.098) 10.976 19.045 ( 2.019 -11.914 2.916) 12.431 19.131 ( 3.789 -8.125 5.114) 10.321 19.222 ( 4.827 -11.096 4.774) 13.008 20.864 ( -7.594 15.481 -1.059) 17.276 21.082 ( -3.523 8.226 7.796) 11.869 21.496 ( -12.056 4.920 -9.399) 16.059 21.539 ( -9.313 3.932 -5.890) 11.700 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 7.751 7.487 3.548) 11.346 2.849 ( 11.675 -3.516 10.527) 16.109 2.923 ( -6.187 -0.498 -8.926) 10.872 3.048 ( 0.543 -4.060 -5.157) 6.586 3.233 ( -1.764 -4.424 0.551) 4.794 3.368 ( -6.369 -1.442 0.065) 6.530 3.586 ( -3.634 -2.955 -3.630) 5.926 3.690 ( -6.192 -0.546 -8.174) 10.270 3.851 ( -3.637 2.755 -2.227) 5.077 3.865 ( -4.958 5.425 -7.843) 10.749 4.423 ( 10.752 -5.784 12.041) 17.147 4.588 ( 1.742 -7.644 4.456) 9.018 7.150 ( 13.000 17.656 9.957) 24.081 7.492 ( 15.248 5.779 11.745) 20.096 7.952 ( -6.799 9.745 -1.633) 11.994 8.340 ( 6.192 1.944 0.545) 6.513 8.699 ( 13.407 -8.077 17.099) 23.181 9.059 ( -1.645 -3.023 -9.502) 10.106 9.156 ( 6.155 2.732 -7.219) 9.872 9.489 ( -5.325 -4.781 4.056) 8.226 9.585 ( -7.831 1.842 8.253) 11.526 9.841 ( 6.102 8.109 9.755) 14.077 9.922 ( -1.273 -0.852 11.550) 11.651 10.650 ( 1.242 -13.323 -7.657) 15.417 10.840 ( 0.758 2.446 -4.051) 4.793 11.023 ( 4.425 -1.562 -7.983) 9.260 11.311 ( -16.767 -4.746 -2.568) 17.614 11.536 ( -15.265 -2.412 7.948) 17.379 11.708 ( -3.883 9.044 -3.457) 10.432 11.962 ( -1.460 4.343 -14.084) 14.811 12.697 ( 0.621 -6.478 -9.959) 11.897 12.745 ( -1.998 -9.889 -4.794) 11.170 13.032 ( 4.169 11.192 4.529) 12.773 13.215 ( 2.956 6.491 0.926) 7.193 13.406 ( 5.035 -0.555 -0.452) 5.085 13.641 ( 1.689 13.139 -3.242) 13.638 13.851 ( -4.648 -9.443 -8.054) 13.253 14.118 ( -0.046 7.933 -9.474) 12.357 14.315 ( -3.092 -8.485 -11.367) 14.518 14.483 ( -17.288 -0.958 -16.382) 23.836 14.737 ( 3.778 25.601 -5.809) 26.522 14.835 ( 13.726 -5.464 10.558) 18.158 15.408 ( 12.007 3.674 11.591) 17.088 15.550 ( 5.601 -10.895 6.661) 13.944 15.943 ( -11.545 0.229 -6.485) 13.244 16.209 ( 1.761 -6.397 0.074) 6.635 16.719 ( 26.141 4.499 19.728) 33.057 16.799 ( 20.312 11.171 10.357) 25.389 17.854 ( 9.025 1.862 14.471) 17.156 17.985 ( -6.102 -0.557 -5.684) 8.358 18.326 ( -13.816 -1.728 -9.696) 16.967 18.647 ( 5.446 -7.766 1.510) 9.604 18.831 ( 0.405 -25.870 3.757) 26.144 18.974 ( -6.215 -15.632 0.692) 16.836 19.278 ( 3.771 -8.101 14.585) 17.105 19.290 ( 3.287 -9.238 12.526) 15.908 20.743 ( -2.810 16.964 -11.359) 20.608 21.035 ( -0.735 6.911 -1.335) 7.077 21.204 ( -12.946 9.151 -15.363) 22.076 21.383 ( -7.541 2.913 -6.458) 10.347 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 11.092 4.394 -4.305) 12.684 2.719 ( -11.517 1.334 -8.492) 14.371 3.029 ( 5.031 -6.882 4.862) 9.814 3.072 ( 0.229 -6.342 -2.135) 6.696 3.223 ( 0.785 -0.403 -3.825) 3.925 3.266 ( -3.354 -1.276 -0.291) 3.601 3.541 ( -0.241 -0.984 -4.564) 4.675 3.582 ( -3.875 -0.633 -6.102) 7.256 3.769 ( -1.340 5.207 -2.032) 5.748 3.793 ( -2.999 4.239 -1.388) 5.375 4.584 ( 4.411 -9.421 10.484) 14.769 4.620 ( 0.516 -9.518 8.137) 12.533 7.439 ( 14.418 16.796 7.017) 23.222 7.733 ( -12.927 14.215 2.460) 19.371 7.903 ( 22.126 6.137 4.342) 23.368 8.306 ( -12.159 4.297 2.732) 13.182 8.954 ( 6.134 -4.990 -1.706) 8.089 9.072 ( -6.489 -0.020 -9.497) 11.502 9.077 ( 7.458 -0.373 -2.698) 7.940 9.345 ( -11.835 -2.281 12.178) 17.134 9.565 ( 9.830 -4.353 15.936) 19.223 9.768 ( -7.604 -2.910 16.578) 18.469 10.184 ( 15.261 1.749 -1.805) 15.467 10.501 ( -14.132 -7.024 -11.921) 19.777 10.931 ( 7.054 2.161 -4.466) 8.624 11.056 ( -3.255 1.045 -0.210) 3.425 11.124 ( 1.397 0.083 -2.530) 2.891 11.265 ( -10.517 -2.150 9.914) 14.613 11.716 ( 4.599 4.538 -0.868) 6.519 11.860 ( -7.605 4.079 -5.780) 10.386 12.712 ( 0.662 -9.331 -12.594) 15.688 12.721 ( -0.364 -10.190 -10.591) 14.701 13.119 ( 4.084 9.450 2.035) 10.494 13.197 ( -3.142 8.320 0.342) 8.900 13.644 ( 12.856 -1.257 -7.704) 15.040 13.692 ( 2.709 9.481 -4.166) 10.704 13.790 ( 0.885 -1.401 -6.631) 6.835 14.045 ( -13.521 4.253 -11.309) 18.133 14.160 ( -4.308 1.418 -10.280) 11.236 14.206 ( -5.560 -6.785 -10.608) 13.765 14.902 ( 10.094 22.424 -7.245) 25.636 15.038 ( 1.303 6.556 1.334) 6.816 15.463 ( 2.581 -9.914 4.286) 11.105 15.607 ( -7.857 -12.547 5.009) 15.629 15.929 ( 12.243 4.837 11.196) 17.281 16.154 ( -7.354 -0.701 10.331) 12.701 17.254 ( 24.036 0.626 8.509) 25.505 17.285 ( 24.456 5.688 9.063) 26.694 17.727 ( -17.049 0.296 3.931) 17.499 17.803 ( -20.218 4.451 1.601) 20.764 18.259 ( 14.829 -5.709 8.014) 17.796 18.623 ( -16.828 -11.680 5.894) 21.316 18.824 ( 8.227 -16.825 3.538) 19.060 18.928 ( -1.452 -22.690 3.697) 23.035 19.293 ( 0.584 -6.709 12.785) 14.450 19.322 ( -1.355 -6.328 17.869) 19.005 20.771 ( 5.275 14.721 -18.405) 24.151 20.934 ( -9.499 10.743 -19.039) 23.836 21.103 ( 3.844 6.245 -7.035) 10.162 21.226 ( -7.168 4.176 -8.538) 11.904 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.000 6.801 19.251) 20.417 2.423 ( 0.000 18.239 19.146) 26.443 2.779 ( 0.000 -5.111 -4.580) 6.863 3.246 ( 0.000 2.583 -0.828) 2.713 3.303 ( 0.000 -5.187 1.173) 5.318 3.463 ( 0.000 -0.216 6.467) 6.471 3.665 ( 0.000 -0.696 -1.736) 1.871 3.682 ( 0.000 0.823 -11.752) 11.780 3.999 ( 0.000 -0.128 -4.308) 4.310 4.107 ( 0.000 0.437 -0.316) 0.539 4.117 ( 0.000 -4.201 -15.742) 16.293 4.541 ( 0.000 -8.413 -5.762) 10.197 6.990 ( 0.000 17.551 5.808) 18.487 7.510 ( 0.000 -1.957 4.059) 4.506 7.806 ( 0.000 0.199 6.274) 6.278 7.969 ( 0.000 2.404 -3.683) 4.399 8.296 ( 0.000 -0.346 15.109) 15.113 8.487 ( 0.000 -9.283 32.368) 33.673 8.516 ( 0.000 8.882 13.362) 16.044 9.430 ( 0.000 -10.550 -4.346) 11.410 9.611 ( 0.000 7.631 1.506) 7.778 10.101 ( 0.000 5.515 -7.295) 9.145 10.190 ( 0.000 -1.414 -8.208) 8.329 10.295 ( 0.000 -13.610 -6.240) 14.973 11.028 ( 0.000 4.935 3.504) 6.052 11.297 ( 0.000 5.886 -15.882) 16.938 11.512 ( 0.000 11.781 -2.637) 12.073 11.834 ( 0.000 -4.618 9.171) 10.268 11.998 ( 0.000 -2.609 -8.764) 9.144 12.639 ( 0.000 -7.866 -20.365) 21.831 12.871 ( 0.000 4.676 5.645) 7.330 12.988 ( 0.000 -2.923 3.134) 4.285 13.232 ( 0.000 -1.870 1.322) 2.290 13.284 ( 0.000 14.467 14.887) 20.759 13.353 ( 0.000 -8.446 -1.397) 8.561 13.437 ( 0.000 -10.003 4.663) 11.037 13.559 ( 0.000 -5.798 -9.483) 11.115 13.846 ( 0.000 3.741 3.738) 5.289 14.248 ( 0.000 10.189 -7.603) 12.713 14.251 ( 0.000 9.764 15.975) 18.723 14.698 ( 0.000 -3.281 -19.320) 19.597 15.149 ( 0.000 1.467 16.027) 16.094 15.280 ( 0.000 -3.943 -11.214) 11.887 15.400 ( 0.000 0.643 8.464) 8.488 15.741 ( 0.000 10.624 0.436) 10.632 15.888 ( 0.000 14.855 -0.046) 14.855 16.247 ( 0.000 4.571 9.681) 10.706 17.245 ( 0.000 11.694 -27.529) 29.910 17.655 ( 0.000 -5.209 11.334) 12.473 17.708 ( 0.000 5.622 -10.984) 12.339 17.880 ( 0.000 -31.735 9.065) 33.004 18.159 ( 0.000 -5.416 -13.394) 14.448 18.468 ( 0.000 -12.764 4.859) 13.658 18.743 ( 0.000 -16.880 -11.072) 20.187 18.848 ( 0.000 -4.644 8.510) 9.694 19.074 ( 0.000 -8.227 -4.394) 9.327 21.339 ( 0.000 13.269 5.634) 14.416 21.422 ( 0.000 13.177 9.150) 16.042 21.683 ( 0.000 0.712 1.337) 1.515 21.957 ( 0.000 -1.237 -8.130) 8.224 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 7.262 6.554 16.130) 18.864 2.427 ( 1.016 15.574 17.851) 23.711 2.810 ( 2.881 -4.354 -4.821) 7.106 3.157 ( -5.616 -0.005 -1.328) 5.771 3.311 ( -2.520 -7.597 2.220) 8.306 3.515 ( 1.883 -6.208 2.519) 6.959 3.605 ( -2.291 2.346 -2.669) 4.228 3.735 ( 4.278 5.016 -7.571) 10.039 3.946 ( -5.000 -1.445 -5.774) 7.773 4.088 ( -0.774 -0.775 -9.656) 9.717 4.141 ( 1.444 -0.371 -3.866) 4.144 4.508 ( -2.869 -7.858 -4.823) 9.656 7.070 ( 7.423 18.098 6.796) 20.708 7.454 ( -2.636 4.988 11.642) 12.937 7.894 ( 6.790 -1.950 2.341) 7.443 8.046 ( 7.405 3.422 -3.478) 8.868 8.301 ( -5.614 -3.388 22.787) 23.711 8.474 ( 14.804 -2.929 11.453) 18.945 8.817 ( 16.068 0.459 17.996) 24.130 9.469 ( 1.879 -3.609 -1.052) 4.203 9.582 ( -0.991 2.101 0.199) 2.331 9.936 ( -7.940 2.900 -1.109) 8.526 10.267 ( 2.779 -6.026 -7.859) 10.286 10.467 ( 12.454 -8.113 -8.428) 17.087 10.922 ( -15.905 9.503 -5.887) 19.440 11.054 ( -8.312 6.322 -2.349) 10.704 11.665 ( -1.864 -4.615 -7.915) 9.350 11.700 ( -1.731 0.036 7.678) 7.870 12.043 ( 0.356 1.563 -7.741) 7.905 12.521 ( -10.439 -3.222 -20.871) 23.558 12.729 ( -9.678 1.236 1.250) 9.836 12.937 ( -15.192 -3.227 3.176) 15.852 13.032 ( -0.827 -1.005 3.140) 3.399 13.243 ( -1.093 1.759 4.658) 5.097 13.372 ( 5.340 5.797 4.715) 9.184 13.578 ( 9.488 -8.509 6.827) 14.458 13.782 ( 9.381 -0.614 -0.107) 9.401 13.992 ( 11.390 2.278 -4.200) 12.352 14.160 ( -2.832 9.632 -7.433) 12.492 14.466 ( 14.017 8.416 11.788) 20.156 14.612 ( -6.236 -4.516 -14.393) 16.323 15.163 ( 1.069 5.680 9.384) 11.022 15.248 ( -1.922 -3.118 -13.272) 13.768 15.494 ( 7.662 -8.828 10.388) 15.638 15.563 ( -13.048 13.806 -3.267) 19.275 16.039 ( 10.827 9.512 6.271) 15.717 16.292 ( 4.918 6.285 13.840) 15.975 17.050 ( -13.495 14.275 -22.835) 30.122 17.698 ( 4.002 -1.263 14.895) 15.475 17.849 ( 7.542 1.353 -17.229) 18.856 17.968 ( 7.011 -33.463 7.178) 34.934 18.192 ( 4.203 -4.290 -12.213) 13.610 18.524 ( 4.975 -12.688 6.056) 14.913 18.767 ( 1.330 -16.127 -6.533) 17.451 18.901 ( 4.692 -6.011 5.268) 9.268 19.015 ( -4.913 -7.737 -2.186) 9.422 21.292 ( -4.315 13.844 3.692) 14.963 21.378 ( -3.932 12.523 7.670) 15.203 21.650 ( -3.070 0.948 0.130) 3.216 21.858 ( -8.905 0.120 -8.567) 12.358 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 2.152 13.504 7.223) 15.465 2.559 ( 11.062 1.849 16.610) 20.042 2.892 ( 4.630 -2.311 -5.722) 7.715 3.039 ( -5.432 -2.025 -1.611) 6.017 3.214 ( -5.636 -6.947 0.537) 8.962 3.417 ( -7.613 -9.817 -2.209) 12.618 3.599 ( -1.404 0.714 0.828) 1.780 3.813 ( -6.905 -2.033 -6.610) 9.772 3.874 ( 6.233 5.202 -5.784) 9.968 4.054 ( -3.010 1.229 -11.671) 12.116 4.190 ( 3.808 -0.479 3.327) 5.079 4.443 ( -2.658 -7.538 -1.914) 8.219 7.285 ( 12.940 19.402 8.654) 24.875 7.469 ( 4.564 12.293 15.285) 20.139 8.044 ( 6.901 -0.721 1.551) 7.110 8.257 ( 11.119 8.394 -0.824) 13.956 8.283 ( 4.736 -9.888 18.592) 21.584 8.822 ( 16.854 -3.999 5.071) 18.049 9.079 ( 5.388 -0.740 3.444) 6.437 9.444 ( -0.171 6.339 11.483) 13.118 9.674 ( 7.336 -5.399 0.111) 9.109 9.802 ( -5.109 0.641 5.551) 7.571 10.295 ( -2.556 -7.656 -9.531) 12.490 10.480 ( -19.970 8.695 -6.088) 22.616 10.711 ( 9.622 -8.289 -6.238) 14.150 10.981 ( -0.548 9.120 -1.078) 9.200 11.423 ( -12.884 -13.302 3.607) 18.867 11.695 ( -8.419 -6.873 2.650) 11.187 12.020 ( 0.173 10.106 -14.301) 17.512 12.226 ( -15.262 5.428 -19.435) 25.301 12.586 ( -4.202 -4.935 -6.512) 9.188 12.676 ( -7.023 -7.195 -0.892) 10.094 13.131 ( 7.772 6.222 3.820) 10.664 13.238 ( 0.490 5.337 5.452) 7.645 13.447 ( 1.586 6.934 2.983) 7.713 13.737 ( 2.080 -3.445 3.195) 5.138 13.907 ( 4.372 -4.931 3.705) 7.560 14.087 ( 0.109 9.929 -12.614) 16.053 14.249 ( 7.898 6.654 -5.127) 11.530 14.528 ( -0.085 -7.467 -9.176) 11.831 14.708 ( 4.109 4.957 -3.304) 7.237 15.220 ( 0.845 -9.277 -2.441) 9.630 15.240 ( 6.530 3.927 5.613) 9.464 15.311 ( -7.031 24.955 2.610) 26.058 15.675 ( 8.977 -17.190 5.176) 20.072 16.263 ( 6.587 -1.177 3.172) 7.405 16.464 ( 12.141 14.734 15.243) 24.430 16.830 ( -3.640 15.314 -7.320) 17.360 17.804 ( 5.443 3.463 14.355) 15.738 17.916 ( -0.059 -10.711 -15.757) 19.053 18.124 ( 7.259 -29.961 5.988) 31.404 18.333 ( 7.443 -0.404 -8.868) 11.585 18.593 ( -2.386 -9.754 -0.251) 10.045 18.759 ( -2.808 -12.374 -0.570) 12.701 18.936 ( 2.556 -10.903 10.609) 15.425 19.020 ( 3.918 -10.227 4.183) 11.724 21.178 ( -6.000 15.020 -1.768) 16.271 21.281 ( -4.750 11.066 2.985) 12.406 21.559 ( -5.654 1.777 -3.441) 6.854 21.625 ( -12.262 2.904 -10.280) 16.263 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 4.384 10.512 1.506) 11.488 2.775 ( 8.330 -3.520 10.717) 14.022 2.905 ( -5.930 -1.030 -3.305) 6.866 2.986 ( 0.496 -2.166 -6.506) 6.875 3.137 ( 0.332 -4.791 -1.451) 5.017 3.276 ( -4.645 -6.836 0.500) 8.280 3.547 ( -2.989 -1.245 -0.204) 3.245 3.670 ( -6.474 -2.191 -7.085) 9.844 3.922 ( -1.125 4.677 -2.750) 5.541 3.966 ( -4.576 4.372 -8.390) 10.510 4.293 ( 4.945 -6.518 5.232) 9.711 4.411 ( -0.618 -9.448 1.918) 9.661 7.590 ( 13.914 24.893 8.854) 29.861 7.656 ( 15.268 10.882 13.248) 22.957 8.147 ( 1.790 7.797 2.730) 8.453 8.417 ( 7.271 1.861 8.884) 11.630 8.526 ( 13.381 -4.079 8.441) 16.339 9.008 ( -3.125 -0.739 -5.586) 6.443 9.177 ( 12.112 -3.219 5.093) 13.528 9.429 ( -6.225 1.240 -0.012) 6.348 9.585 ( -13.033 -2.470 5.908) 14.521 9.893 ( 2.365 -3.229 3.431) 5.272 10.008 ( -6.887 5.449 3.199) 9.346 10.374 ( 0.226 -10.698 -6.730) 12.640 10.830 ( 2.687 -4.535 -4.706) 7.066 11.036 ( 4.615 3.755 -2.605) 6.495 11.195 ( -7.154 -6.277 2.816) 9.925 11.430 ( -13.550 -6.820 8.032) 17.165 11.920 ( -7.637 11.179 -12.229) 18.243 12.097 ( -0.680 8.268 -15.132) 17.257 12.510 ( -3.118 -9.928 -10.024) 14.449 12.589 ( -2.549 -7.716 -7.826) 11.282 13.261 ( 2.286 8.345 3.761) 9.434 13.331 ( 9.145 7.277 0.734) 11.710 13.458 ( 1.412 6.185 0.019) 6.345 13.679 ( -3.632 -4.089 -3.419) 6.450 13.980 ( -1.326 16.549 -7.496) 18.215 14.071 ( 0.103 -11.964 -5.173) 13.035 14.345 ( 0.508 8.901 -2.673) 9.308 14.500 ( -8.984 0.702 -13.134) 15.928 14.722 ( 7.360 -0.637 2.738) 7.879 15.186 ( -2.215 -7.785 4.579) 9.300 15.325 ( 6.291 23.697 -2.819) 24.679 15.516 ( 14.597 -0.151 13.664) 19.995 15.842 ( 6.259 -16.448 1.053) 17.630 16.194 ( -9.376 9.380 -14.114) 19.368 16.806 ( 19.041 4.169 10.849) 22.308 17.002 ( 17.139 8.093 17.235) 25.618 17.831 ( -4.581 -11.258 -3.760) 12.723 17.953 ( 5.025 -2.150 5.844) 8.002 18.246 ( 3.300 -18.372 5.440) 19.442 18.367 ( -13.410 0.218 1.179) 13.464 18.460 ( 2.336 -9.615 0.822) 9.928 18.711 ( -2.388 -9.788 -1.100) 10.135 19.043 ( 4.129 -15.278 15.710) 22.299 19.070 ( 1.787 -12.580 12.052) 17.513 21.075 ( -3.142 15.375 -9.356) 18.270 21.204 ( -2.177 9.285 -4.157) 10.403 21.369 ( -10.521 6.628 -13.748) 18.537 21.440 ( -6.438 2.266 -6.932) 9.727 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 7.156 6.015 -3.390) 9.944 2.749 ( -8.252 1.608 -5.436) 10.012 2.891 ( 3.363 -6.739 5.091) 9.091 2.949 ( -2.631 -5.818 -0.436) 6.400 3.205 ( 3.532 -0.943 -1.359) 3.900 3.241 ( 0.029 0.018 -2.755) 2.755 3.499 ( -0.640 -3.552 -2.666) 4.487 3.549 ( -4.843 -3.130 -6.095) 8.390 3.883 ( -0.997 6.271 -1.649) 6.560 3.898 ( -2.092 6.024 -2.018) 6.688 4.368 ( 2.295 -11.435 5.811) 13.030 4.399 ( -0.861 -11.844 4.872) 12.836 7.851 ( 12.286 23.045 9.705) 27.861 8.067 ( 9.111 15.103 7.509) 19.170 8.087 ( 4.359 15.351 5.621) 16.919 8.431 ( -8.800 8.066 7.013) 13.845 8.836 ( 15.005 -6.790 7.792) 18.220 8.989 ( 2.616 -4.102 2.081) 5.292 9.157 ( -12.781 2.567 -13.146) 18.514 9.254 ( -12.458 -5.702 1.831) 13.822 9.466 ( 9.850 -3.546 5.969) 12.051 9.701 ( -11.247 -3.353 8.042) 14.227 10.163 ( 9.036 -6.873 -1.500) 11.451 10.320 ( -5.648 -11.566 -10.491) 16.605 10.922 ( 7.245 -0.895 4.016) 8.332 11.075 ( -4.245 -1.209 2.384) 5.017 11.144 ( 1.789 3.309 -1.141) 3.931 11.211 ( -6.060 -2.045 7.986) 10.231 11.867 ( 2.989 10.093 -6.972) 12.626 12.001 ( -7.730 9.342 -7.506) 14.261 12.490 ( 1.366 -11.245 -12.814) 17.103 12.539 ( -2.621 -9.479 -12.366) 15.800 13.319 ( 2.755 9.325 0.623) 9.743 13.367 ( -1.972 8.484 0.115) 8.711 13.635 ( 8.931 -1.262 -7.873) 11.972 13.701 ( 7.605 -2.922 -9.583) 12.578 13.845 ( -6.832 4.718 -8.785) 12.087 14.011 ( -11.212 -2.039 -5.477) 12.644 14.295 ( 1.455 11.358 -1.822) 11.595 14.374 ( -3.929 14.204 -4.016) 15.275 14.928 ( 9.985 -9.069 9.737) 16.637 15.101 ( -6.278 -10.813 9.156) 15.498 15.516 ( 10.847 24.695 -7.224) 27.923 15.692 ( -1.896 7.984 0.400) 8.216 15.929 ( 4.240 -5.102 1.393) 6.778 16.029 ( -5.027 -2.946 -5.585) 8.071 17.205 ( 17.882 -8.261 4.456) 20.196 17.370 ( 11.106 -3.287 9.466) 14.959 17.702 ( -2.575 -1.145 5.938) 6.573 17.940 ( -14.528 8.258 11.133) 20.080 18.140 ( 2.772 -6.830 8.039) 10.906 18.250 ( -4.429 -16.094 6.653) 17.969 18.531 ( 4.594 -12.692 4.343) 14.180 18.637 ( -4.799 -6.288 0.680) 7.939 19.079 ( 1.652 -14.235 15.639) 21.211 19.107 ( -0.066 -14.517 17.230) 22.530 21.064 ( 2.183 13.611 -15.315) 20.606 21.153 ( -5.225 10.269 -15.800) 19.555 21.238 ( 0.607 6.505 -9.549) 11.570 21.314 ( -5.370 4.014 -9.416) 11.559 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.000 11.340 10.002) 15.121 2.602 ( 0.000 -7.233 2.652) 7.704 2.822 ( 0.000 15.511 11.924) 19.565 3.107 ( 0.000 -12.560 6.104) 13.965 3.281 ( 0.000 2.448 -3.528) 4.294 3.380 ( 0.000 -6.959 -0.696) 6.994 3.726 ( 0.000 6.020 -2.286) 6.439 3.787 ( 0.000 4.828 -10.739) 11.774 3.933 ( 0.000 -3.204 -5.681) 6.522 4.009 ( 0.000 -6.630 -14.606) 16.040 4.198 ( 0.000 7.657 -3.984) 8.632 4.366 ( 0.000 -9.126 -5.787) 10.806 7.285 ( 0.000 11.843 2.934) 12.201 7.446 ( 0.000 -5.151 2.232) 5.614 7.874 ( 0.000 5.803 3.212) 6.632 7.972 ( 0.000 -2.723 -3.335) 4.305 8.272 ( 0.000 -0.571 23.711) 23.717 8.321 ( 0.000 -6.284 32.043) 32.654 8.798 ( 0.000 18.080 10.103) 20.711 9.153 ( 0.000 -16.954 3.427) 17.297 9.803 ( 0.000 10.948 2.719) 11.281 10.030 ( 0.000 -12.354 0.084) 12.354 10.149 ( 0.000 0.565 -6.706) 6.730 10.167 ( 0.000 -1.587 -8.325) 8.475 11.190 ( 0.000 9.643 -4.890) 10.812 11.328 ( 0.000 -3.189 -13.308) 13.685 11.710 ( 0.000 6.039 9.052) 10.882 11.766 ( 0.000 -2.108 11.579) 11.769 12.053 ( 0.000 10.575 -19.925) 22.558 12.366 ( 0.000 -17.901 -19.889) 26.759 12.968 ( 0.000 4.775 3.593) 5.975 13.003 ( 0.000 2.245 0.306) 2.265 13.160 ( 0.000 -3.448 -6.629) 7.472 13.225 ( 0.000 -8.508 -4.405) 9.580 13.283 ( 0.000 1.254 4.249) 4.430 13.352 ( 0.000 -5.003 2.060) 5.410 13.682 ( 0.000 12.439 9.248) 15.500 13.848 ( 0.000 -3.993 9.336) 10.155 14.409 ( 0.000 5.708 -8.259) 10.039 14.429 ( 0.000 5.780 7.007) 9.083 14.683 ( 0.000 4.898 -6.089) 7.815 14.930 ( 0.000 -16.423 13.980) 21.568 15.330 ( 0.000 4.340 -8.618) 9.650 15.393 ( 0.000 -1.705 -0.204) 1.717 15.954 ( 0.000 10.500 3.201) 10.977 16.102 ( 0.000 -1.886 -1.232) 2.253 16.516 ( 0.000 28.923 13.752) 32.026 17.183 ( 0.000 -35.991 9.294) 37.171 17.460 ( 0.000 7.688 -18.685) 20.205 17.567 ( 0.000 -3.940 -1.834) 4.346 17.841 ( 0.000 8.059 -5.347) 9.671 18.018 ( 0.000 -9.299 -2.511) 9.632 18.327 ( 0.000 -0.328 -6.513) 6.521 18.447 ( 0.000 -11.659 -10.493) 15.685 18.832 ( 0.000 2.188 3.896) 4.468 18.923 ( 0.000 -6.699 0.221) 6.702 21.555 ( 0.000 8.455 3.650) 9.209 21.665 ( 0.000 -2.955 2.218) 3.695 21.674 ( 0.000 12.001 2.830) 12.331 21.870 ( 0.000 -7.559 -3.176) 8.199 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 5.337 9.642 9.260) 14.395 2.623 ( 1.514 -3.884 3.355) 5.351 2.820 ( 0.480 12.005 9.367) 15.235 3.071 ( -3.081 -10.748 5.068) 12.276 3.224 ( -4.889 1.975 -3.378) 6.262 3.339 ( -4.265 -8.883 -1.670) 9.995 3.704 ( -1.764 6.253 -1.589) 6.689 3.822 ( 0.152 -2.732 -4.826) 5.548 3.909 ( 0.208 3.773 -10.299) 10.970 4.027 ( 1.381 -5.493 -13.863) 14.976 4.206 ( 0.594 6.417 -3.310) 7.245 4.351 ( -1.462 -8.004 -5.062) 9.583 7.369 ( 7.706 11.693 5.447) 15.026 7.505 ( 5.821 -1.709 4.699) 7.673 7.909 ( 3.244 4.022 6.151) 8.033 8.021 ( 3.429 -5.677 2.629) 7.135 8.312 ( 2.842 4.171 21.334) 21.923 8.403 ( 11.220 -4.482 16.190) 20.201 8.940 ( 11.246 12.392 11.095) 20.079 9.237 ( 7.723 -15.706 4.173) 17.993 9.745 ( -5.353 10.176 3.325) 11.969 9.918 ( -6.869 -5.861 3.080) 9.540 10.189 ( 2.773 0.618 -7.689) 8.197 10.291 ( 7.874 -8.328 -5.856) 12.871 11.167 ( -7.445 9.900 -7.489) 14.474 11.178 ( -7.969 5.496 -7.453) 12.217 11.541 ( -14.770 -1.522 1.635) 14.938 11.651 ( -5.970 -7.638 3.185) 10.204 12.160 ( 4.783 9.457 -13.737) 17.350 12.368 ( -1.285 -10.771 -18.175) 21.166 12.771 ( -14.438 3.388 -0.355) 14.835 12.860 ( -18.894 -5.080 -0.949) 19.588 13.066 ( 6.115 4.895 2.109) 8.112 13.177 ( 4.677 -5.073 -0.077) 6.900 13.452 ( 7.161 -1.147 1.780) 7.467 13.481 ( 5.742 -1.577 4.614) 7.533 13.864 ( 10.884 9.047 5.162) 15.065 13.996 ( 11.631 -2.903 4.091) 12.667 14.333 ( -2.216 7.586 -5.621) 9.698 14.469 ( -2.431 -6.328 -8.608) 10.957 14.709 ( 5.978 13.156 7.436) 16.251 15.002 ( 5.361 -15.101 10.276) 19.036 15.294 ( -3.315 3.808 -11.612) 12.662 15.372 ( -1.884 -3.938 -3.591) 5.652 15.878 ( -5.727 14.970 5.927) 17.089 16.092 ( 0.311 -5.953 5.365) 8.020 16.603 ( 8.079 27.201 14.884) 32.042 17.227 ( 3.365 -28.720 7.466) 29.864 17.370 ( -6.608 7.898 -17.512) 20.315 17.615 ( 2.187 -10.319 -9.853) 14.435 17.908 ( 4.583 5.991 2.255) 7.873 18.071 ( 7.545 -8.907 1.272) 11.742 18.396 ( 5.686 1.380 -6.070) 8.431 18.518 ( 5.230 -9.631 -8.154) 13.660 18.831 ( -0.150 -0.697 3.693) 3.761 18.880 ( -3.921 -5.360 1.419) 6.791 21.516 ( -3.625 8.639 2.066) 9.594 21.600 ( -5.311 5.890 1.703) 8.112 21.651 ( -2.842 2.261 0.780) 3.714 21.796 ( -6.609 -6.291 -4.113) 10.009 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 6.124 5.820 5.396) 10.024 2.643 ( 0.948 3.361 6.885) 7.720 2.877 ( 5.078 3.359 3.020) 6.796 3.001 ( -3.323 -4.759 1.000) 5.890 3.106 ( -5.426 -0.561 -1.713) 5.718 3.214 ( -6.788 -9.525 -0.959) 11.736 3.644 ( -4.010 3.791 -0.743) 5.568 3.738 ( -6.040 -5.155 -3.675) 8.750 3.976 ( 3.470 4.832 -9.575) 11.272 4.047 ( 0.155 -2.180 -11.559) 11.764 4.214 ( 0.071 3.228 -1.554) 3.583 4.308 ( -2.522 -6.058 -2.845) 7.152 7.585 ( 12.707 12.174 12.155) 21.387 7.700 ( 12.804 4.956 5.210) 14.685 8.006 ( 6.054 -0.658 12.301) 13.726 8.095 ( 4.982 -7.707 8.524) 12.525 8.483 ( 11.973 12.687 6.514) 18.622 8.698 ( 15.320 -8.719 8.079) 19.390 9.165 ( 7.957 10.318 4.039) 13.641 9.448 ( 11.421 -15.431 3.786) 19.567 9.600 ( -7.500 7.879 7.930) 13.462 9.748 ( -10.226 -6.175 6.111) 13.418 10.242 ( 1.258 4.278 -6.222) 7.655 10.406 ( 0.364 -10.527 -5.387) 11.831 10.855 ( -12.206 15.076 -6.493) 20.456 11.126 ( -5.525 -9.028 -3.951) 11.298 11.231 ( -10.258 8.547 0.389) 13.358 11.492 ( -9.377 -13.250 0.738) 16.249 12.205 ( 0.547 7.818 -13.611) 15.706 12.286 ( -6.445 0.068 -17.788) 18.920 12.515 ( -9.395 -1.714 -7.420) 12.094 12.548 ( -9.509 -5.102 -4.250) 11.598 13.250 ( 10.202 5.676 3.437) 12.170 13.299 ( 5.151 1.328 3.753) 6.510 13.544 ( 1.227 0.574 1.558) 2.064 13.600 ( 5.935 -7.196 4.155) 10.211 13.962 ( -0.615 11.928 2.340) 12.171 14.212 ( 6.070 -9.524 0.500) 11.305 14.331 ( -1.290 8.066 -8.637) 11.888 14.431 ( 3.697 -2.197 -7.222) 8.405 14.872 ( 5.911 12.522 1.242) 13.902 15.122 ( 5.873 -6.317 7.589) 11.489 15.213 ( -2.558 -0.970 -9.093) 9.496 15.350 ( 1.434 -12.951 -3.755) 13.561 15.813 ( 0.916 22.714 7.933) 24.077 16.147 ( 5.157 -11.291 8.615) 15.109 16.828 ( 12.442 23.387 15.158) 30.521 17.166 ( -7.986 19.393 -13.676) 25.038 17.384 ( 7.558 -32.303 9.491) 34.506 17.576 ( -4.814 -21.242 -14.065) 25.927 18.076 ( 10.832 11.129 10.869) 18.956 18.275 ( 9.398 -7.624 1.334) 12.175 18.516 ( 4.922 2.431 -3.223) 6.366 18.595 ( 0.421 -5.476 0.370) 5.504 18.770 ( -5.006 -3.694 5.943) 8.604 18.831 ( -0.340 -8.186 2.929) 8.701 21.416 ( -5.509 8.916 -2.383) 10.748 21.469 ( -6.524 6.310 -1.786) 9.250 21.564 ( -5.094 -0.410 -3.044) 5.949 21.622 ( -9.264 -3.086 -7.060) 12.049 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 1.265 6.645 1.457) 6.919 2.720 ( 3.462 -2.522 7.017) 8.221 2.908 ( -5.631 1.602 -2.547) 6.384 2.949 ( -2.740 -2.019 -4.703) 5.805 3.076 ( 4.948 -0.346 1.447) 5.167 3.142 ( 2.525 -6.148 1.650) 6.848 3.544 ( -5.416 1.485 -1.073) 5.717 3.604 ( -6.589 -4.009 -4.525) 8.942 4.014 ( 0.334 3.770 -4.763) 6.083 4.030 ( -1.309 1.891 -7.566) 7.908 4.203 ( -1.284 -1.905 0.206) 2.306 4.251 ( -2.913 -6.332 0.161) 6.972 7.896 ( 16.873 13.181 14.107) 25.641 8.008 ( 15.469 13.491 5.537) 21.259 8.177 ( 10.735 -5.244 16.304) 20.213 8.260 ( 10.562 -7.898 7.029) 14.945 8.721 ( 8.960 14.491 5.057) 17.772 8.971 ( 8.999 -9.364 3.546) 13.463 9.164 ( -8.021 10.874 1.714) 13.620 9.455 ( -14.863 -11.450 7.065) 20.048 9.516 ( -0.385 5.122 0.981) 5.229 9.691 ( 9.237 -13.858 -1.184) 16.697 10.102 ( -16.772 8.068 -12.081) 22.189 10.267 ( -9.414 -6.054 -8.219) 13.887 10.816 ( 5.471 5.102 2.854) 8.006 10.975 ( -0.769 -8.871 7.974) 11.952 11.196 ( 1.004 4.882 -0.940) 5.072 11.301 ( -7.940 -5.998 3.749) 10.634 12.124 ( -6.061 9.362 -14.606) 18.377 12.229 ( 0.353 2.603 -15.526) 15.746 12.358 ( -6.394 -3.495 -10.674) 12.924 12.437 ( -3.174 -7.446 -10.060) 12.912 13.362 ( 2.613 4.703 -1.516) 5.590 13.447 ( 6.126 -1.711 -1.227) 6.478 13.536 ( 0.229 6.715 0.530) 6.740 13.688 ( 1.400 -3.748 1.413) 4.244 13.956 ( 0.831 7.429 1.356) 7.597 14.199 ( -1.962 -6.835 -0.064) 7.111 14.315 ( -3.469 5.456 -4.296) 7.763 14.496 ( -0.267 -6.338 -1.775) 6.587 14.937 ( 3.199 19.785 -4.525) 20.546 15.142 ( -0.054 9.675 -0.750) 9.704 15.349 ( 9.595 -16.551 4.178) 19.582 15.435 ( 5.471 -19.154 -0.134) 19.920 15.922 ( 9.296 27.470 1.092) 29.021 16.297 ( 8.296 -6.443 0.946) 10.546 16.933 ( -6.272 12.099 -8.101) 15.854 17.121 ( 3.848 2.169 5.104) 6.750 17.495 ( 3.354 -14.626 2.318) 15.184 17.608 ( 11.726 -20.559 12.294) 26.670 18.282 ( 5.979 11.429 8.324) 15.351 18.391 ( 2.149 0.880 4.751) 5.288 18.462 ( -11.678 4.262 9.002) 15.349 18.587 ( 1.492 -2.642 1.633) 3.445 18.742 ( 1.647 -11.960 11.079) 16.386 18.818 ( -0.876 -12.125 6.586) 13.826 21.311 ( -3.969 8.323 -8.333) 12.428 21.354 ( -4.051 4.716 -7.039) 9.391 21.440 ( -7.629 0.607 -11.033) 13.428 21.452 ( -5.347 -0.852 -7.672) 9.390 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 3.491 4.595 -0.650) 5.807 2.774 ( 1.209 -3.268 3.996) 5.302 2.789 ( -4.066 0.747 -2.866) 5.030 2.850 ( -4.501 -4.269 -0.431) 6.219 3.223 ( 7.331 2.951 -0.068) 7.903 3.264 ( 6.095 0.756 -3.979) 7.318 3.423 ( -5.308 -2.362 -1.567) 6.018 3.464 ( -6.666 -4.867 -4.833) 9.564 4.008 ( 0.203 6.386 -1.629) 6.593 4.019 ( -0.335 6.189 -1.153) 6.304 4.173 ( -0.826 -8.015 1.362) 8.172 4.192 ( -2.402 -8.888 1.808) 9.382 8.238 ( 13.423 15.655 12.067) 23.893 8.327 ( 15.248 11.412 11.803) 22.407 8.365 ( 3.357 7.439 12.329) 14.785 8.490 ( 6.102 -7.081 13.886) 16.739 8.824 ( 3.650 9.813 4.296) 11.318 8.959 ( -5.378 2.692 1.768) 6.269 9.041 ( -4.582 -10.450 1.212) 11.474 9.123 ( -14.090 -10.285 2.853) 17.676 9.560 ( 4.812 11.825 -8.725) 15.463 9.740 ( -12.261 9.791 -9.001) 18.089 9.878 ( 6.376 -18.363 -7.164) 20.717 10.045 ( -9.827 -16.760 -12.350) 23.022 10.977 ( 8.608 5.707 9.338) 13.924 11.067 ( 5.131 -1.376 7.231) 8.973 11.159 ( -5.221 -0.008 6.090) 8.022 11.191 ( -2.656 -1.323 3.102) 4.293 12.077 ( 2.222 10.860 -11.462) 15.946 12.185 ( -6.121 8.981 -10.673) 15.232 12.283 ( 1.487 -10.100 -13.328) 16.789 12.359 ( -4.432 -8.896 -12.528) 15.991 13.446 ( 4.915 4.308 -5.318) 8.426 13.494 ( 1.282 2.353 -6.032) 6.600 13.572 ( 1.007 -0.312 -6.186) 6.275 13.658 ( -4.512 -5.211 -8.473) 10.923 13.986 ( 4.392 13.511 3.494) 14.630 14.144 ( -8.472 12.779 0.731) 15.350 14.281 ( 5.880 -12.886 6.344) 15.519 14.420 ( -6.058 -11.738 4.431) 13.932 15.038 ( 5.485 20.592 -1.295) 21.350 15.126 ( -2.393 16.568 0.271) 16.743 15.497 ( 4.334 -21.840 0.305) 22.268 15.524 ( 1.889 -20.380 1.687) 20.536 16.173 ( 13.420 30.984 -6.317) 34.351 16.386 ( -3.584 24.375 -9.546) 26.422 16.858 ( 3.270 -23.640 -3.430) 24.110 17.030 ( -9.626 -26.439 -5.853) 28.739 17.760 ( 18.208 5.505 17.525) 25.864 17.892 ( 14.518 -8.073 14.733) 22.203 18.148 ( -17.105 5.829 14.824) 23.373 18.185 ( -11.914 1.009 10.344) 15.810 18.501 ( 5.813 8.679 8.582) 13.520 18.585 ( -1.992 2.489 3.513) 4.744 18.780 ( 1.437 -15.068 11.684) 19.121 18.801 ( -0.726 -15.171 12.736) 19.822 21.268 ( 0.003 6.823 -12.918) 14.609 21.304 ( -2.030 4.572 -12.378) 13.351 21.323 ( -2.012 1.888 -12.264) 12.571 21.356 ( -3.560 -0.050 -10.928) 11.493 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 0.000 0.000 25.878) 25.878 2.674 ( 0.000 0.000 20.607) 20.607 2.773 ( 0.000 0.000 -1.331) 1.331 3.023 ( 0.000 0.000 -8.900) 8.900 3.139 ( 0.000 0.000 -2.984) 2.984 3.385 ( 0.000 0.000 -17.184) 17.184 3.811 ( 0.000 0.000 2.642) 2.642 3.840 ( 0.000 0.000 -4.297) 4.297 3.873 ( 0.000 0.000 0.824) 0.824 3.905 ( 0.000 0.000 -10.278) 10.278 4.265 ( 0.000 0.000 12.588) 12.588 4.628 ( 0.000 0.000 -6.384) 6.384 6.819 ( 0.000 0.000 18.278) 18.278 7.605 ( 0.000 0.000 -18.353) 18.353 7.681 ( 0.000 0.000 4.306) 4.306 7.795 ( 0.000 0.000 -4.419) 4.419 8.674 ( 0.000 0.000 26.226) 26.226 8.792 ( 0.000 0.000 17.448) 17.448 9.333 ( 0.000 0.000 -3.377) 3.377 9.396 ( 0.000 0.000 -5.458) 5.458 9.427 ( 0.000 0.000 28.692) 28.692 9.895 ( 0.000 0.000 1.575) 1.575 10.021 ( 0.000 0.000 -8.220) 8.220 10.520 ( 0.000 0.000 -11.178) 11.178 10.592 ( 0.000 0.000 -21.914) 21.914 10.742 ( 0.000 0.000 -25.883) 25.883 11.381 ( 0.000 0.000 19.071) 19.071 12.050 ( 0.000 0.000 3.344) 3.344 12.124 ( 0.000 0.000 -0.791) 0.791 12.286 ( 0.000 0.000 -23.385) 23.385 12.991 ( 0.000 0.000 9.812) 9.812 13.011 ( 0.000 0.000 10.212) 10.212 13.207 ( 0.000 0.000 -1.491) 1.491 13.296 ( 0.000 0.000 -2.589) 2.589 13.434 ( 0.000 0.000 -4.106) 4.106 13.606 ( 0.000 0.000 -9.229) 9.229 13.650 ( 0.000 0.000 7.569) 7.569 13.977 ( 0.000 0.000 -7.074) 7.074 14.190 ( 0.000 0.000 22.100) 22.100 14.193 ( 0.000 0.000 10.994) 10.994 14.556 ( 0.000 0.000 -1.550) 1.550 14.951 ( 0.000 0.000 -5.761) 5.761 15.178 ( 0.000 0.000 -11.108) 11.108 15.368 ( 0.000 0.000 8.709) 8.709 15.468 ( 0.000 0.000 -16.401) 16.401 15.957 ( 0.000 0.000 27.314) 27.314 16.344 ( 0.000 0.000 -26.584) 26.584 16.638 ( 0.000 0.000 30.364) 30.364 17.141 ( 0.000 0.000 -25.514) 25.514 17.805 ( 0.000 0.000 -26.323) 26.323 18.191 ( 0.000 0.000 20.317) 20.317 18.730 ( 0.000 0.000 5.692) 5.692 18.939 ( 0.000 0.000 -0.461) 0.461 18.973 ( 0.000 0.000 -13.700) 13.700 19.074 ( 0.000 0.000 4.909) 4.909 19.263 ( 0.000 0.000 -4.557) 4.557 21.145 ( 0.000 0.000 12.096) 12.096 21.386 ( 0.000 0.000 11.960) 11.960 21.642 ( 0.000 0.000 -1.841) 1.841 21.649 ( 0.000 0.000 -12.576) 12.576 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -5.736 0.000 19.437) 20.265 2.742 ( 6.191 0.000 18.908) 19.896 2.753 ( -1.203 0.000 -4.471) 4.630 3.160 ( 7.974 0.000 -4.393) 9.104 3.172 ( 3.047 0.000 -2.442) 3.904 3.442 ( 4.348 0.000 -14.275) 14.922 3.773 ( -3.054 0.000 1.357) 3.342 3.789 ( -4.671 0.000 -4.338) 6.375 3.792 ( -5.381 0.000 1.834) 5.685 3.850 ( -5.127 0.000 -10.086) 11.315 4.320 ( 4.911 0.000 11.583) 12.581 4.622 ( -0.310 0.000 -4.843) 4.853 6.875 ( 5.113 0.000 17.940) 18.655 7.650 ( 3.613 0.000 -18.295) 18.648 7.654 ( -1.774 0.000 12.188) 12.316 7.881 ( 7.859 0.000 -3.634) 8.658 8.696 ( 1.818 0.000 13.061) 13.187 8.857 ( 5.861 0.000 19.125) 20.003 9.269 ( -6.010 0.000 -6.261) 8.679 9.441 ( 4.076 0.000 -9.943) 10.746 9.495 ( 6.882 0.000 32.102) 32.832 9.870 ( -0.714 0.000 3.439) 3.512 10.166 ( 10.381 0.000 -12.178) 16.002 10.399 ( -4.750 0.000 -2.416) 5.329 10.580 ( -0.975 0.000 -19.692) 19.717 10.961 ( 14.405 0.000 -23.303) 27.396 11.274 ( -9.327 0.000 13.739) 16.606 12.039 ( -2.005 0.000 3.343) 3.898 12.052 ( -20.618 0.000 -23.511) 31.271 12.080 ( -3.641 0.000 0.222) 3.647 12.882 ( -9.408 0.000 9.785) 13.574 12.988 ( 0.313 0.000 11.268) 11.272 13.174 ( -10.625 0.000 -0.892) 10.663 13.215 ( 0.227 0.000 4.555) 4.560 13.395 ( -1.738 0.000 -5.084) 5.372 13.634 ( -1.280 0.000 7.665) 7.771 13.640 ( 2.148 0.000 -14.470) 14.628 13.948 ( -2.993 0.000 -7.234) 7.829 14.297 ( 4.898 0.000 -0.186) 4.901 14.357 ( 12.950 0.000 20.325) 24.100 14.560 ( 1.117 0.000 -1.963) 2.259 14.943 ( -2.892 0.000 6.634) 7.237 15.139 ( -2.270 0.000 -3.561) 4.223 15.352 ( 2.930 0.000 -1.852) 3.466 15.573 ( 11.131 0.000 -15.616) 19.177 16.083 ( -2.209 0.000 -9.428) 9.683 16.260 ( 6.615 0.000 11.703) 13.443 16.690 ( 4.888 0.000 30.864) 31.249 17.327 ( 14.295 0.000 -25.260) 29.025 17.856 ( 4.762 0.000 -24.693) 25.148 18.151 ( -2.881 0.000 19.128) 19.344 18.795 ( -0.696 0.000 -7.933) 7.963 18.990 ( 9.257 0.000 1.354) 9.355 19.059 ( 8.349 0.000 -1.386) 8.463 19.095 ( 1.996 0.000 4.798) 5.196 19.277 ( 1.309 0.000 -4.277) 4.473 21.036 ( -10.187 0.000 10.733) 14.798 21.330 ( -5.230 0.000 11.219) 12.378 21.515 ( -12.290 0.000 -12.364) 17.434 21.586 ( -5.178 0.000 -2.506) 5.752 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -3.696 0.000 12.556) 13.089 2.730 ( -1.321 0.000 -9.581) 9.671 2.910 ( 9.174 0.000 14.827) 17.436 3.194 ( -4.243 0.000 0.922) 4.342 3.256 ( 4.680 0.000 -0.901) 4.766 3.454 ( -5.911 0.000 -9.792) 11.438 3.662 ( -7.017 0.000 -4.488) 8.330 3.695 ( -0.222 0.000 0.437) 0.490 3.702 ( -8.543 0.000 -9.523) 12.793 3.796 ( 2.207 0.000 -1.887) 2.904 4.473 ( 10.011 0.000 10.009) 14.156 4.646 ( 3.354 0.000 -0.899) 3.473 7.013 ( 7.651 0.000 16.210) 17.925 7.643 ( 1.382 0.000 20.782) 20.828 7.712 ( 1.340 0.000 -16.827) 16.880 8.095 ( 11.835 0.000 -2.479) 12.092 8.741 ( 2.330 0.000 -4.966) 5.486 9.012 ( 8.638 0.000 22.235) 23.854 9.086 ( -11.499 0.000 -13.439) 17.687 9.552 ( 6.059 0.000 -4.393) 7.484 9.713 ( 13.135 0.000 24.134) 27.477 9.853 ( -0.818 0.000 8.014) 8.056 10.302 ( 1.534 0.000 3.358) 3.692 10.482 ( 12.448 0.000 -3.354) 12.892 10.562 ( -0.491 0.000 -14.543) 14.551 11.045 ( -11.427 0.000 2.257) 11.648 11.246 ( 11.658 0.000 -22.294) 25.158 11.526 ( -27.345 0.000 -21.284) 34.652 11.930 ( -7.244 0.000 3.857) 8.207 11.993 ( -5.664 0.000 4.345) 7.139 12.723 ( -4.862 0.000 4.503) 6.627 12.943 ( -9.724 0.000 -0.636) 9.745 13.013 ( 1.722 0.000 12.886) 13.001 13.193 ( -1.783 0.000 5.240) 5.536 13.407 ( 2.198 0.000 -3.982) 4.548 13.563 ( -5.578 0.000 7.989) 9.743 13.690 ( 3.508 0.000 -18.207) 18.542 13.881 ( -2.510 0.000 -9.035) 9.377 14.290 ( -3.821 0.000 -9.322) 10.075 14.484 ( -10.659 0.000 -14.542) 18.030 14.519 ( -2.341 0.000 16.101) 16.270 14.923 ( 4.719 0.000 11.000) 11.969 15.279 ( 16.857 0.000 15.760) 23.077 15.480 ( 5.732 0.000 -7.101) 9.126 15.896 ( -6.082 0.000 -19.181) 20.122 15.905 ( 19.124 0.000 -14.471) 23.982 16.639 ( 22.228 0.000 27.638) 35.468 16.823 ( 7.123 0.000 31.360) 32.159 17.627 ( 12.898 0.000 -21.315) 24.914 17.985 ( 6.594 0.000 -21.516) 22.504 18.105 ( -1.066 0.000 14.831) 14.869 18.680 ( -6.532 0.000 -10.223) 12.132 19.155 ( 3.700 0.000 4.488) 5.816 19.239 ( 8.356 0.000 4.411) 9.449 19.316 ( 2.310 0.000 -3.391) 4.103 19.318 ( 17.622 0.000 4.138) 18.102 20.738 ( -17.784 0.000 6.459) 18.921 21.173 ( -19.388 0.000 -13.192) 23.450 21.183 ( -8.310 0.000 8.684) 12.019 21.434 ( -9.098 0.000 -4.296) 10.061 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 0.499 0.000 5.821) 5.842 2.671 ( -5.166 0.000 -12.815) 13.817 3.086 ( -3.881 0.000 2.187) 4.455 3.091 ( 7.493 0.000 9.843) 12.371 3.289 ( -7.914 0.000 -5.506) 9.641 3.348 ( 3.366 0.000 1.933) 3.882 3.501 ( -8.021 0.000 -7.203) 10.781 3.545 ( -5.178 0.000 -6.489) 8.302 3.696 ( -0.356 0.000 -0.161) 0.390 3.798 ( -2.238 0.000 -2.684) 3.495 4.711 ( 11.144 0.000 7.468) 13.415 4.758 ( 6.505 0.000 3.171) 7.236 7.184 ( 8.648 0.000 11.947) 14.748 7.683 ( -4.161 0.000 -11.765) 12.479 7.731 ( 7.465 0.000 18.715) 20.149 8.339 ( 10.346 0.000 0.509) 10.358 8.738 ( -8.440 0.000 -19.249) 21.018 8.832 ( -6.930 0.000 -13.799) 15.442 9.219 ( 11.382 0.000 21.858) 24.644 9.668 ( 4.354 0.000 3.655) 5.685 9.879 ( 4.277 0.000 18.538) 19.025 9.971 ( 9.577 0.000 14.015) 16.975 10.304 ( -1.782 0.000 16.996) 17.089 10.551 ( -2.502 0.000 -12.923) 13.163 10.769 ( 14.008 0.000 -9.148) 16.731 10.803 ( -11.970 0.000 -5.251) 13.071 11.043 ( -14.661 0.000 -16.042) 21.733 11.391 ( 0.944 0.000 -19.732) 19.755 11.788 ( -5.270 0.000 6.524) 8.387 11.859 ( -5.931 0.000 4.608) 7.511 12.660 ( -1.824 0.000 -1.189) 2.178 12.797 ( -4.919 0.000 -4.780) 6.859 13.040 ( 0.709 0.000 8.111) 8.142 13.159 ( -1.785 0.000 2.838) 3.352 13.463 ( -1.796 0.000 5.176) 5.479 13.470 ( 4.609 0.000 -0.411) 4.627 13.799 ( 5.540 0.000 -12.890) 14.030 13.843 ( -2.116 0.000 -11.890) 12.076 14.171 ( -8.365 0.000 -8.919) 12.228 14.235 ( -9.231 0.000 -12.338) 15.409 14.374 ( -6.812 0.000 9.845) 11.972 14.933 ( -7.965 0.000 -8.760) 11.839 15.602 ( 9.088 0.000 4.722) 10.242 15.710 ( 22.004 0.000 17.960) 28.403 15.903 ( 3.430 0.000 -5.616) 6.580 16.293 ( 15.335 0.000 -9.570) 18.076 16.964 ( 7.008 0.000 26.018) 26.945 17.113 ( 22.273 0.000 22.181) 31.434 17.817 ( 4.438 0.000 -12.332) 13.106 17.967 ( -11.099 0.000 -19.053) 22.050 18.192 ( 10.934 0.000 13.096) 17.060 18.661 ( 5.903 0.000 -6.872) 9.059 19.244 ( 4.629 0.000 4.037) 6.142 19.339 ( 1.140 0.000 13.001) 13.051 19.365 ( 2.051 0.000 -1.552) 2.572 19.663 ( 13.322 0.000 7.197) 15.142 20.338 ( -18.631 0.000 -3.870) 19.028 20.759 ( -19.026 0.000 -16.722) 25.330 21.016 ( -6.742 0.000 3.672) 7.677 21.225 ( -10.419 0.000 -6.370) 12.212 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 5.702 0.000 -1.867) 6.000 2.517 ( -8.550 0.000 -9.019) 12.428 3.069 ( 1.944 0.000 -1.278) 2.327 3.149 ( -5.408 0.000 -3.951) 6.698 3.210 ( 4.339 0.000 3.975) 5.885 3.309 ( -5.626 0.000 0.773) 5.679 3.446 ( 1.791 0.000 -3.683) 4.096 3.481 ( -1.651 0.000 -3.914) 4.248 3.696 ( 0.818 0.000 0.341) 0.886 3.736 ( -2.879 0.000 -0.861) 3.005 4.873 ( 3.703 0.000 5.925) 6.987 4.876 ( 3.789 0.000 6.219) 7.282 7.370 ( 9.046 0.000 4.965) 10.319 7.551 ( -7.968 0.000 -3.654) 8.766 7.963 ( 14.641 0.000 8.922) 17.146 8.308 ( -16.168 0.000 2.070) 16.300 8.632 ( 6.254 0.000 -16.712) 17.844 8.761 ( -4.521 0.000 -13.378) 14.122 9.482 ( 13.044 0.000 19.002) 23.049 9.686 ( -4.318 0.000 14.057) 14.705 10.029 ( 9.146 0.000 22.074) 23.894 10.099 ( 5.228 0.000 -1.489) 5.436 10.210 ( -7.179 0.000 20.382) 21.609 10.302 ( -14.935 0.000 -12.382) 19.400 10.768 ( 5.486 0.000 -5.947) 8.091 10.881 ( -4.906 0.000 -10.204) 11.322 11.050 ( 12.757 0.000 -8.615) 15.394 11.287 ( -9.381 0.000 -11.346) 14.722 11.734 ( -0.108 0.000 3.980) 3.981 11.768 ( -2.996 0.000 1.301) 3.266 12.650 ( 1.066 0.000 -3.808) 3.955 12.704 ( -3.919 0.000 -5.576) 6.816 13.059 ( 1.555 0.000 2.282) 2.762 13.108 ( -2.855 0.000 0.524) 2.903 13.531 ( 7.652 0.000 -4.246) 8.751 13.618 ( 9.090 0.000 5.265) 10.504 13.727 ( -9.354 0.000 -13.257) 16.225 13.801 ( -6.429 0.000 2.894) 7.050 14.050 ( -0.546 0.000 -4.962) 4.992 14.106 ( -4.682 0.000 -8.050) 9.312 14.389 ( 9.254 0.000 -8.142) 12.326 14.666 ( -15.009 0.000 -14.805) 21.082 15.812 ( 8.902 0.000 7.669) 11.750 15.929 ( -1.970 0.000 2.569) 3.238 16.137 ( 17.867 0.000 16.723) 24.472 16.403 ( -5.704 0.000 9.039) 10.689 17.213 ( 17.656 0.000 3.169) 17.938 17.532 ( 17.056 0.000 12.737) 21.287 17.623 ( -19.755 0.000 -10.656) 22.446 17.790 ( -7.081 0.000 0.249) 7.085 18.498 ( 16.580 0.000 10.022) 19.374 18.753 ( -3.575 0.000 -0.571) 3.620 19.335 ( 3.730 0.000 3.323) 4.996 19.383 ( -0.645 0.000 1.318) 1.468 19.385 ( 8.214 0.000 17.483) 19.317 19.678 ( -14.043 0.000 18.282) 23.053 20.179 ( 6.714 0.000 -21.867) 22.875 20.414 ( -13.954 0.000 -20.087) 24.458 20.941 ( 0.247 0.000 -2.897) 2.907 21.029 ( -7.582 0.000 -6.727) 10.136 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 0.000 -5.446 17.019) 17.869 2.598 ( 0.000 7.593 23.615) 24.806 2.750 ( 0.000 -1.509 -1.661) 2.244 3.122 ( 0.000 8.307 -6.695) 10.669 3.177 ( 0.000 3.370 -2.245) 4.049 3.402 ( 0.000 1.701 -16.113) 16.202 3.719 ( 0.000 -9.490 1.223) 9.569 3.728 ( 0.000 -6.589 -0.146) 6.590 3.915 ( 0.000 1.212 -4.045) 4.223 3.917 ( 0.000 -0.270 -8.111) 8.116 4.228 ( 0.000 -3.496 9.887) 10.487 4.564 ( 0.000 -6.149 -6.793) 9.163 6.913 ( 0.000 8.794 15.155) 17.522 7.531 ( 0.000 -4.100 -10.369) 11.150 7.793 ( 0.000 7.410 -2.068) 7.693 7.817 ( 0.000 2.135 -2.563) 3.336 8.671 ( 0.000 0.777 26.805) 26.816 8.794 ( 0.000 0.297 17.529) 17.531 9.191 ( 0.000 -9.267 10.257) 13.823 9.424 ( 0.000 0.264 -10.837) 10.840 9.524 ( 0.000 6.911 19.206) 20.412 9.938 ( 0.000 4.541 2.694) 5.280 10.031 ( 0.000 0.791 -7.783) 7.823 10.352 ( 0.000 -9.031 -10.931) 14.179 10.779 ( 0.000 10.717 -19.062) 21.869 10.809 ( 0.000 6.992 -23.258) 24.287 11.372 ( 0.000 -1.065 15.286) 15.323 12.020 ( 0.000 -2.744 3.083) 4.128 12.073 ( 0.000 -4.528 0.673) 4.578 12.258 ( 0.000 -3.142 -24.887) 25.085 12.969 ( 0.000 1.235 9.991) 10.067 13.155 ( 0.000 -5.552 3.449) 6.537 13.202 ( 0.000 14.652 8.720) 17.051 13.291 ( 0.000 1.134 -3.852) 4.015 13.491 ( 0.000 -3.618 2.080) 4.173 13.530 ( 0.000 -7.134 -7.939) 10.673 13.644 ( 0.000 7.040 -2.960) 7.637 13.777 ( 0.000 -14.554 -0.761) 14.573 14.190 ( 0.000 0.781 11.880) 11.906 14.311 ( 0.000 6.885 10.838) 12.840 14.560 ( 0.000 0.964 1.029) 1.410 14.950 ( 0.000 -1.022 -13.862) 13.900 15.211 ( 0.000 2.798 -10.099) 10.479 15.447 ( 0.000 7.011 13.952) 15.614 15.552 ( 0.000 8.658 -12.056) 14.843 16.008 ( 0.000 4.750 28.683) 29.074 16.445 ( 0.000 10.069 -28.015) 29.770 16.594 ( 0.000 -3.334 25.291) 25.510 17.203 ( 0.000 5.516 -21.692) 22.383 17.791 ( 0.000 -1.325 -25.805) 25.839 18.145 ( 0.000 -4.663 19.652) 20.198 18.575 ( 0.000 -18.384 8.538) 20.270 18.769 ( 0.000 -12.901 -8.095) 15.230 18.836 ( 0.000 -11.059 -4.992) 12.133 19.088 ( 0.000 -1.869 -0.680) 1.989 19.142 ( 0.000 -9.854 -0.029) 9.855 21.254 ( 0.000 9.804 10.353) 14.259 21.443 ( 0.000 5.435 10.390) 11.726 21.649 ( 0.000 1.777 -3.090) 3.565 21.716 ( 0.000 4.757 -10.062) 11.129 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -5.728 3.955 15.451) 16.946 2.710 ( 6.700 -1.392 18.431) 19.661 2.744 ( -0.386 -0.456 -3.863) 3.909 3.130 ( -0.138 -0.172 -2.417) 2.427 3.276 ( 6.826 6.777 -3.397) 10.201 3.471 ( 4.824 2.692 -12.607) 13.765 3.672 ( -4.344 -7.990 0.693) 9.121 3.684 ( -1.978 -7.062 -0.030) 7.333 3.841 ( -6.221 1.230 -4.094) 7.548 3.879 ( -3.483 0.838 -8.398) 9.130 4.274 ( 4.154 -4.254 9.116) 10.883 4.554 ( -0.656 -6.419 -5.351) 8.383 6.982 ( 6.250 9.947 15.128) 19.154 7.569 ( 3.214 -2.608 -4.272) 5.948 7.806 ( 1.278 9.134 -0.576) 9.241 7.903 ( 7.833 2.296 -2.066) 8.420 8.693 ( 2.147 0.359 15.178) 15.333 8.833 ( 3.892 -2.378 19.271) 19.803 9.174 ( -2.626 -6.717 0.128) 7.213 9.481 ( 4.476 1.875 -10.792) 11.832 9.566 ( 5.417 5.784 25.236) 26.451 9.896 ( -1.033 2.783 4.506) 5.396 10.161 ( 8.142 -0.485 -10.232) 13.085 10.392 ( 3.139 -2.064 -5.561) 6.711 10.566 ( -8.674 1.433 -15.810) 18.090 10.999 ( 5.729 3.339 -15.556) 16.910 11.321 ( -2.215 3.912 4.523) 6.377 11.955 ( -8.855 -6.111 -1.669) 10.887 12.035 ( -5.444 -2.825 -3.497) 7.060 12.095 ( -10.277 0.276 -14.738) 17.970 12.834 ( -9.929 -2.437 8.296) 13.166 13.062 ( -11.045 -1.784 0.896) 11.224 13.128 ( -1.884 0.198 7.182) 7.428 13.267 ( -0.916 8.224 8.260) 11.692 13.479 ( -0.105 -9.647 -1.798) 9.814 13.557 ( 0.384 12.943 -4.039) 13.564 13.725 ( 7.081 3.665 -7.806) 11.158 13.881 ( 1.746 -6.531 -7.676) 10.228 14.146 ( 2.576 -6.627 13.543) 15.296 14.442 ( 5.578 1.417 3.117) 6.545 14.569 ( 1.012 2.126 0.828) 2.496 14.988 ( 3.414 -0.387 -9.776) 10.363 15.191 ( 0.534 4.302 -0.850) 4.417 15.353 ( -6.612 7.915 13.006) 16.599 15.648 ( 10.738 3.087 -13.159) 17.263 16.196 ( 3.378 10.594 0.584) 11.135 16.269 ( -0.820 1.285 3.620) 3.928 16.692 ( 7.344 1.082 24.192) 25.306 17.373 ( 13.107 4.128 -22.817) 26.635 17.843 ( 4.968 -1.131 -23.903) 24.440 18.123 ( -1.569 -2.842 18.404) 18.688 18.679 ( 7.727 -23.414 6.311) 25.451 18.742 ( -2.797 -7.595 -10.069) 12.919 18.906 ( 5.084 -14.288 -5.263) 16.052 19.118 ( 4.369 -2.670 3.367) 6.128 19.182 ( 4.117 -7.896 1.139) 8.978 21.156 ( -9.127 10.714 8.918) 16.661 21.383 ( -5.565 5.171 9.511) 12.172 21.568 ( -9.473 4.158 -8.790) 13.575 21.621 ( -6.836 3.404 -4.732) 8.984 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -3.484 5.048 9.992) 11.724 2.732 ( -0.787 0.309 -8.966) 9.006 2.881 ( 8.920 -1.999 13.698) 16.468 3.114 ( -1.994 -4.403 1.325) 5.012 3.311 ( -2.912 0.856 0.067) 3.036 3.479 ( -4.801 2.660 -5.553) 7.808 3.587 ( -3.464 -6.665 -2.206) 7.829 3.673 ( -6.139 0.463 -5.523) 8.271 3.743 ( 1.907 0.323 -4.410) 4.816 3.810 ( -1.483 1.716 -6.269) 6.666 4.403 ( 8.419 -6.442 7.877) 13.207 4.565 ( 2.418 -7.511 -1.690) 8.070 7.151 ( 9.474 13.097 14.358) 21.620 7.650 ( 4.522 2.163 9.428) 10.678 7.838 ( 1.318 10.441 -3.929) 11.234 8.116 ( 11.822 2.574 -1.578) 12.201 8.748 ( 2.557 0.044 -0.933) 2.723 8.960 ( 7.943 -4.520 19.499) 21.535 9.063 ( -7.784 -1.380 -9.503) 12.361 9.566 ( 3.024 0.586 -6.197) 6.920 9.742 ( 8.046 2.766 19.153) 20.957 9.911 ( 3.923 4.298 9.884) 11.470 10.260 ( -0.228 -3.882 0.548) 3.927 10.398 ( 0.945 -4.693 -2.512) 5.406 10.599 ( 9.927 0.538 -12.980) 16.350 10.942 ( -8.581 -3.976 -0.443) 9.468 11.384 ( 3.936 7.771 -19.453) 21.315 11.581 ( -19.479 4.525 -15.399) 25.239 11.884 ( -7.517 -3.754 1.853) 8.604 11.947 ( -7.953 -4.279 2.956) 9.502 12.656 ( -6.230 -6.137 2.653) 9.138 12.829 ( -9.946 -8.860 -1.238) 13.377 13.123 ( 1.704 7.263 10.172) 12.614 13.253 ( -0.510 6.628 7.712) 10.182 13.472 ( -0.372 -4.308 -0.487) 4.352 13.565 ( -1.377 12.975 -3.754) 13.577 13.786 ( -3.325 1.396 -5.768) 6.803 13.858 ( 2.572 5.731 -10.678) 12.389 14.192 ( -1.480 -7.820 -3.403) 8.656 14.463 ( -10.812 -0.965 -13.302) 17.169 14.625 ( 11.034 1.005 9.996) 14.922 14.979 ( -3.786 11.088 7.307) 13.809 15.305 ( 8.766 -4.778 -0.077) 9.984 15.431 ( 14.270 1.909 11.208) 18.246 15.873 ( 0.434 3.875 -18.001) 18.418 15.986 ( 1.248 0.374 -11.387) 11.461 16.628 ( 19.932 0.776 25.285) 32.205 16.898 ( 12.395 6.028 25.594) 29.069 17.640 ( 10.886 0.759 -19.933) 22.725 17.987 ( 8.072 0.599 -18.494) 20.188 18.103 ( 0.010 0.004 13.044) 13.044 18.632 ( -6.167 -5.252 -9.216) 12.269 18.826 ( 5.398 -25.595 4.257) 26.502 18.986 ( 1.921 -18.764 -3.922) 19.265 19.309 ( 11.909 -5.185 6.321) 14.445 19.316 ( 8.908 -4.942 4.657) 11.201 20.894 ( -15.203 13.604 4.459) 20.883 21.211 ( -12.332 5.020 0.700) 13.333 21.284 ( -13.946 7.600 -5.624) 16.849 21.460 ( -8.986 2.327 -4.128) 10.159 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.533 5.434 4.593) 7.135 2.687 ( -4.336 1.662 -11.963) 12.833 3.025 ( 0.636 -3.959 3.195) 5.127 3.081 ( 3.932 -2.216 9.099) 10.157 3.218 ( -5.491 -4.997 -1.728) 7.623 3.386 ( -3.719 0.151 1.251) 3.927 3.487 ( -4.784 -0.639 -6.953) 8.464 3.538 ( -5.404 -0.337 -6.174) 8.212 3.745 ( -0.521 4.147 -2.638) 4.943 3.811 ( -0.677 1.587 -2.792) 3.282 4.604 ( 9.402 -10.003 6.066) 15.009 4.654 ( 5.315 -9.688 2.163) 11.260 7.359 ( 10.098 16.814 11.293) 22.632 7.768 ( 6.100 6.838 7.060) 11.568 7.842 ( -0.070 12.100 1.491) 12.191 8.362 ( 10.600 2.756 0.504) 10.964 8.783 ( 0.117 0.766 -11.219) 11.246 8.830 ( -13.450 3.755 -17.101) 22.078 9.161 ( 10.553 -5.479 19.277) 22.650 9.608 ( 1.688 -6.658 2.915) 7.461 9.800 ( 0.308 -3.939 13.428) 13.998 10.096 ( 9.426 6.199 14.321) 18.231 10.238 ( -1.425 -4.390 16.473) 17.107 10.407 ( -3.986 -13.524 -15.021) 20.602 10.775 ( -1.926 4.975 -1.971) 5.688 10.846 ( 10.806 0.535 -9.227) 14.219 11.137 ( -13.946 7.714 -10.221) 18.933 11.496 ( -2.936 8.948 -17.754) 20.097 11.739 ( -4.750 -4.309 4.647) 7.920 11.799 ( -4.717 -5.229 2.603) 7.508 12.563 ( -3.132 -9.373 -3.146) 10.371 12.662 ( -6.365 -10.477 -4.357) 13.010 13.180 ( 2.044 12.264 8.051) 14.812 13.243 ( -0.219 5.486 1.913) 5.814 13.434 ( -1.874 -1.362 3.039) 3.821 13.554 ( 2.229 6.469 -4.911) 8.422 13.725 ( -2.045 -4.753 -3.579) 6.292 13.937 ( 3.823 12.777 -9.753) 16.523 14.123 ( -4.256 -3.824 -7.133) 9.144 14.188 ( -14.087 -0.812 -12.385) 18.774 14.711 ( -0.960 24.840 4.647) 25.289 15.022 ( 3.327 3.833 2.502) 5.659 15.436 ( 4.372 -7.022 -0.562) 8.291 15.704 ( 4.525 -10.451 -1.635) 11.505 15.860 ( 12.409 3.214 7.316) 14.759 16.203 ( 9.849 -10.668 -3.591) 14.957 17.015 ( 16.325 2.937 17.778) 24.314 17.206 ( 16.769 8.624 21.712) 28.757 17.783 ( 2.029 -2.469 -12.910) 13.300 18.048 ( -6.390 7.433 -12.605) 15.968 18.176 ( 9.360 -1.233 10.925) 14.439 18.598 ( 5.230 -6.878 -6.114) 10.585 18.905 ( 1.066 -26.291 3.671) 26.567 18.985 ( -1.295 -21.581 0.055) 21.620 19.462 ( 5.769 -3.275 9.304) 11.427 19.575 ( 10.241 -9.404 9.380) 16.772 20.572 ( -13.812 18.724 -4.397) 23.679 20.865 ( -17.220 9.755 -14.508) 24.539 21.079 ( -7.166 5.655 1.728) 9.291 21.257 ( -10.002 2.835 -6.227) 12.118 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 5.173 4.965 -1.667) 7.361 2.551 ( -7.646 3.455 -7.990) 11.586 3.032 ( 2.018 -3.402 -0.280) 3.966 3.103 ( -4.472 -4.242 -0.825) 6.218 3.192 ( 4.395 -1.704 3.008) 5.592 3.289 ( -5.094 -1.953 1.696) 5.713 3.438 ( -0.240 -0.855 -5.506) 5.577 3.460 ( -2.231 -1.799 -5.743) 6.418 3.750 ( 1.041 4.814 0.262) 4.932 3.781 ( -1.698 4.206 -0.514) 4.565 4.743 ( 3.432 -12.180 5.351) 13.739 4.749 ( 2.845 -11.843 4.803) 13.093 7.561 ( 9.012 18.505 5.539) 21.315 7.726 ( -6.456 16.852 -2.431) 18.209 8.030 ( 14.715 6.799 9.043) 18.562 8.370 ( -14.699 6.150 3.092) 16.231 8.666 ( 4.187 3.800 -17.261) 18.164 8.763 ( -3.084 0.679 -12.034) 12.441 9.398 ( 11.717 -8.337 16.955) 22.232 9.595 ( -5.308 -9.177 10.246) 14.744 9.849 ( 6.459 -11.245 11.283) 17.189 10.071 ( -13.358 -10.508 6.421) 18.168 10.236 ( 5.010 4.766 7.506) 10.205 10.319 ( -2.717 -1.725 -0.043) 3.218 10.837 ( 5.248 7.167 -4.069) 9.770 10.939 ( -5.005 6.076 -7.760) 11.054 11.100 ( 11.219 3.230 -3.410) 12.163 11.331 ( -10.477 3.069 -6.334) 12.622 11.703 ( 0.506 -1.675 0.516) 1.824 11.738 ( -2.254 -1.480 -2.766) 3.863 12.525 ( -0.271 -11.314 -5.850) 12.740 12.558 ( -3.413 -11.492 -6.094) 13.448 13.187 ( 0.153 9.318 3.028) 9.799 13.213 ( -2.269 9.275 0.653) 9.570 13.510 ( 7.196 -1.272 -4.894) 8.795 13.604 ( -0.121 -4.272 -5.762) 7.174 13.719 ( 3.482 1.724 0.893) 3.987 13.900 ( -12.314 2.311 -2.485) 12.773 13.996 ( 1.731 7.997 -7.096) 10.831 14.043 ( -3.208 0.478 -6.176) 6.976 14.753 ( 5.996 28.050 -5.121) 29.137 14.930 ( -9.264 21.929 -10.106) 25.862 15.591 ( 8.752 -17.331 8.388) 21.150 15.718 ( -2.675 -18.067 3.999) 18.696 16.157 ( 12.048 -2.655 10.251) 16.040 16.303 ( -1.175 -10.931 3.943) 11.680 17.329 ( 14.649 7.221 5.272) 17.162 17.521 ( 7.476 0.435 5.981) 9.584 17.709 ( -4.450 6.448 0.021) 7.834 17.857 ( -9.689 8.321 0.787) 12.796 18.438 ( 14.877 -6.079 9.828) 18.838 18.704 ( -5.395 -5.084 0.472) 7.428 18.867 ( 3.525 -28.676 2.670) 29.015 18.969 ( -2.223 -25.376 0.413) 25.477 19.565 ( 4.845 -2.427 14.413) 15.398 19.661 ( -2.367 -7.867 15.535) 17.573 20.417 ( 0.518 19.644 -16.483) 25.648 20.558 ( -11.531 13.600 -18.563) 25.739 20.996 ( -0.242 4.871 -3.457) 5.978 21.071 ( -6.979 3.811 -6.742) 10.425 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 0.000 -0.261 12.483) 12.486 2.685 ( 0.000 -0.196 2.139) 2.148 2.840 ( 0.000 11.667 15.742) 19.594 3.226 ( 0.000 0.262 -1.313) 1.339 3.294 ( 0.000 7.571 -3.242) 8.236 3.438 ( 0.000 0.673 -11.765) 11.784 3.498 ( 0.000 -10.794 -0.461) 10.804 3.623 ( 0.000 -2.106 -2.689) 3.416 3.873 ( 0.000 -4.327 -8.156) 9.233 3.904 ( 0.000 -2.371 -5.268) 5.777 4.151 ( 0.000 -3.539 4.652) 5.845 4.413 ( 0.000 -8.721 -7.151) 11.278 7.112 ( 0.000 10.320 7.221) 12.595 7.460 ( 0.000 -3.348 -8.078) 8.745 7.872 ( 0.000 3.406 1.555) 3.744 7.920 ( 0.000 4.988 -0.618) 5.026 8.703 ( 0.000 1.273 22.330) 22.366 8.853 ( 0.000 7.602 20.044) 21.438 9.009 ( 0.000 -9.115 14.339) 16.991 9.369 ( 0.000 -5.439 -4.063) 6.790 9.693 ( 0.000 9.963 10.758) 14.662 10.042 ( 0.000 0.246 -6.598) 6.602 10.048 ( 0.000 5.446 2.598) 6.034 10.199 ( 0.000 -6.658 -2.841) 7.239 10.964 ( 0.000 7.930 -17.429) 19.148 11.017 ( 0.000 13.699 -14.608) 20.026 11.337 ( 0.000 -1.958 1.632) 2.549 11.962 ( 0.000 -2.893 2.557) 3.861 11.982 ( 0.000 -3.945 2.928) 4.913 12.144 ( 0.000 -9.175 -26.417) 27.965 13.008 ( 0.000 1.849 7.340) 7.570 13.044 ( 0.000 -4.713 2.824) 5.494 13.237 ( 0.000 -9.498 0.951) 9.546 13.346 ( 0.000 -10.440 -7.294) 12.735 13.371 ( 0.000 -1.720 1.125) 2.055 13.463 ( 0.000 -4.056 0.631) 4.105 13.593 ( 0.000 11.372 7.759) 13.767 13.882 ( 0.000 12.015 -4.843) 12.954 14.236 ( 0.000 3.507 9.992) 10.589 14.388 ( 0.000 0.811 1.808) 1.982 14.636 ( 0.000 7.599 7.570) 10.726 14.950 ( 0.000 2.646 -16.829) 17.036 15.254 ( 0.000 0.752 -8.682) 8.715 15.443 ( 0.000 -7.357 2.849) 7.890 15.876 ( 0.000 20.577 7.531) 21.912 16.118 ( 0.000 5.873 25.757) 26.418 16.571 ( 0.000 2.949 17.727) 17.970 16.713 ( 0.000 16.529 -26.267) 31.035 17.317 ( 0.000 5.000 -17.417) 18.120 17.765 ( 0.000 -0.950 -23.760) 23.779 18.008 ( 0.000 -9.228 14.846) 17.480 18.050 ( 0.000 -32.270 8.027) 33.254 18.535 ( 0.000 -16.801 -9.007) 19.063 18.537 ( 0.000 -11.724 -0.791) 11.751 18.976 ( 0.000 -6.305 4.084) 7.512 19.013 ( 0.000 -4.900 -1.114) 5.025 21.464 ( 0.000 10.476 7.088) 12.649 21.577 ( 0.000 7.645 6.487) 10.026 21.691 ( 0.000 1.901 -0.861) 2.087 21.795 ( 0.000 2.595 -8.130) 8.534 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -0.266 2.389 8.584) 8.914 2.699 ( 1.802 -0.336 2.693) 3.258 2.823 ( -0.188 9.121 11.971) 15.051 3.136 ( -4.690 0.247 -1.264) 4.864 3.371 ( -1.190 -2.468 4.032) 4.875 3.466 ( -0.417 -5.598 -4.809) 7.392 3.521 ( 6.369 -2.353 -6.257) 9.233 3.609 ( 0.238 2.472 -5.068) 5.644 3.829 ( -5.120 -2.684 -5.727) 8.137 3.865 ( -1.972 -2.051 -8.469) 8.934 4.183 ( 2.853 -4.168 4.142) 6.532 4.401 ( -0.885 -8.472 -5.979) 10.407 7.207 ( 8.735 11.574 7.703) 16.420 7.533 ( 6.690 -1.517 -4.940) 8.453 7.950 ( 5.479 4.676 4.425) 8.454 8.000 ( 8.165 7.486 -0.455) 11.086 8.724 ( 1.129 2.132 16.375) 16.551 8.779 ( -2.062 -2.429 21.903) 22.133 9.071 ( 2.315 -2.625 3.642) 5.051 9.446 ( 6.352 -5.655 -6.297) 10.582 9.717 ( 2.875 9.565 17.684) 20.309 9.969 ( -2.316 4.164 4.049) 6.253 10.136 ( 2.674 -2.630 -4.572) 5.914 10.302 ( 9.325 -5.629 -8.368) 13.735 10.711 ( -14.977 12.327 -10.476) 22.046 11.084 ( -1.665 5.560 -3.754) 6.912 11.365 ( 2.961 -1.037 -10.451) 10.912 11.823 ( -10.163 -6.747 -0.021) 12.199 11.978 ( -3.025 -2.703 -1.314) 4.264 12.062 ( -6.833 -3.251 -19.700) 21.103 12.794 ( -14.614 -1.875 4.577) 15.428 12.960 ( -16.022 -6.153 -1.492) 17.227 13.120 ( 1.576 -0.988 5.591) 5.892 13.286 ( 4.094 -7.384 -0.018) 8.443 13.496 ( 1.345 5.989 6.541) 8.970 13.641 ( 9.707 -7.100 -0.971) 12.065 13.763 ( 12.701 6.184 -1.550) 14.211 13.948 ( 4.676 14.502 -8.600) 17.497 14.117 ( -6.337 2.648 12.127) 13.936 14.411 ( -0.255 -3.469 -1.232) 3.690 14.660 ( -0.315 7.122 1.021) 7.201 14.939 ( 0.533 -0.773 -16.494) 16.521 15.253 ( 3.453 0.808 2.552) 4.369 15.548 ( 6.651 -6.287 3.756) 9.893 15.719 ( -8.732 17.610 8.878) 21.568 16.282 ( 6.260 1.084 14.542) 15.869 16.493 ( -3.089 17.605 -5.386) 18.667 16.772 ( 7.664 7.875 7.320) 13.204 17.442 ( 8.977 1.148 -18.199) 20.326 17.830 ( 6.529 0.389 -21.175) 22.162 18.026 ( 1.719 -11.911 12.306) 17.212 18.123 ( 6.318 -25.968 8.148) 27.940 18.530 ( 0.514 -15.378 -5.868) 16.467 18.620 ( 4.825 -10.789 -5.880) 13.201 19.013 ( 2.545 -6.908 3.362) 8.094 19.024 ( 3.113 -7.405 3.160) 8.632 21.385 ( -7.425 11.325 5.743) 14.710 21.511 ( -6.068 7.223 5.690) 11.017 21.636 ( -5.464 2.428 -2.286) 6.402 21.695 ( -8.892 3.140 -7.327) 11.942 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -1.978 7.189 4.606) 8.764 2.739 ( 1.071 0.209 -4.950) 5.069 2.882 ( 5.638 3.055 10.619) 12.405 3.050 ( -3.602 -1.968 1.675) 4.434 3.253 ( -7.566 -6.292 4.242) 10.716 3.414 ( -4.201 -8.629 2.012) 9.806 3.560 ( -2.057 2.250 -5.363) 6.169 3.663 ( -5.696 -1.448 -7.789) 9.758 3.756 ( 5.526 1.690 -5.186) 7.765 3.843 ( -0.205 1.378 -8.564) 8.677 4.264 ( 4.964 -6.497 3.618) 8.941 4.395 ( 0.758 -8.854 -2.960) 9.366 7.452 ( 14.051 15.490 8.858) 22.712 7.717 ( 10.230 3.869 3.527) 11.491 8.051 ( 4.411 9.595 6.195) 12.243 8.232 ( 12.505 10.237 -0.868) 16.184 8.699 ( -0.188 -5.258 16.490) 17.309 8.888 ( 8.503 -2.230 7.773) 11.734 9.067 ( -1.980 2.230 -4.707) 5.572 9.555 ( 1.298 -3.065 -10.382) 10.902 9.782 ( 1.100 1.498 14.213) 14.334 9.942 ( -0.120 -1.859 7.988) 8.202 10.153 ( -1.403 -5.380 -2.717) 6.188 10.389 ( -5.723 -0.036 -4.321) 7.171 10.586 ( 9.164 3.310 -2.328) 10.018 10.991 ( -4.974 8.167 -0.688) 9.587 11.380 ( -4.029 -9.217 -7.469) 12.529 11.662 ( -1.809 -0.234 -7.542) 7.760 11.837 ( -9.975 0.038 -4.588) 10.980 11.887 ( -9.352 1.324 -9.335) 13.279 12.517 ( -10.843 -7.226 -0.485) 13.039 12.641 ( -12.567 -9.834 -3.291) 16.293 13.214 ( 5.925 3.917 4.859) 8.606 13.367 ( 2.870 -1.014 3.970) 5.003 13.488 ( -1.402 9.029 2.618) 9.505 13.736 ( -4.986 -3.072 -4.008) 7.096 13.896 ( 1.876 18.035 -2.181) 18.263 14.006 ( 2.302 -4.373 2.313) 5.457 14.138 ( 6.334 13.123 -3.932) 15.093 14.412 ( -2.964 -5.855 -6.192) 9.023 14.611 ( 2.774 3.428 -0.267) 4.418 15.024 ( 7.591 -8.122 -12.773) 16.933 15.401 ( 3.618 9.339 10.719) 14.670 15.544 ( 2.265 13.249 14.875) 20.048 15.744 ( 6.898 -15.998 -0.274) 17.424 16.135 ( -12.559 12.923 -15.220) 23.587 16.692 ( 15.161 5.450 14.741) 21.837 17.013 ( 14.289 5.191 15.239) 21.526 17.611 ( 6.975 -5.275 -12.582) 15.323 18.019 ( 9.311 0.953 -8.147) 12.409 18.080 ( 4.497 -7.640 2.450) 9.198 18.284 ( 8.532 -18.391 5.858) 21.103 18.505 ( -3.777 -9.986 -5.649) 12.079 18.675 ( 0.284 -8.925 -6.143) 10.838 19.126 ( 8.766 -12.465 7.297) 16.895 19.142 ( 6.799 -11.486 5.691) 14.510 21.175 ( -11.938 13.571 1.760) 18.160 21.337 ( -10.432 7.001 1.420) 12.643 21.428 ( -13.188 6.104 -6.816) 16.051 21.505 ( -8.864 1.663 -3.561) 9.697 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 0.638 8.426 2.217) 8.736 2.732 ( -2.239 2.584 -8.915) 9.548 2.957 ( -1.091 -2.763 2.647) 3.979 3.038 ( 4.366 -1.105 9.583) 10.588 3.106 ( -5.426 -6.303 0.575) 8.337 3.324 ( -4.102 -5.450 3.344) 7.597 3.485 ( -4.476 -0.505 -7.421) 8.681 3.520 ( -6.366 -1.694 -6.655) 9.364 3.832 ( 1.077 4.433 -4.169) 6.180 3.864 ( 1.999 3.705 -3.084) 5.219 4.379 ( 5.352 -11.400 3.308) 13.021 4.434 ( 2.531 -11.457 0.322) 11.738 7.762 ( 14.938 21.720 8.759) 27.778 7.938 ( 10.963 10.254 11.418) 18.860 8.138 ( 3.477 15.722 1.828) 16.206 8.475 ( 9.991 10.132 -0.229) 14.231 8.734 ( 2.746 -4.755 3.166) 6.338 8.963 ( -5.200 3.424 -4.552) 7.713 9.081 ( 4.917 2.641 -0.697) 5.625 9.454 ( -6.690 -7.282 2.017) 10.093 9.709 ( -7.485 -5.337 5.518) 10.722 9.969 ( 0.542 -16.961 -1.081) 17.004 10.125 ( 0.697 -9.493 3.953) 10.307 10.277 ( -7.374 -2.804 1.518) 8.034 10.799 ( 11.233 3.432 3.158) 12.163 10.991 ( 5.154 10.842 -1.023) 12.048 11.249 ( -6.774 1.932 1.581) 7.220 11.572 ( -11.178 -6.893 5.267) 14.150 11.731 ( -1.893 5.507 -8.464) 10.274 11.738 ( 1.115 3.994 -16.596) 17.106 12.342 ( -6.128 -11.854 -5.863) 14.575 12.445 ( -7.007 -11.360 -7.326) 15.225 13.308 ( 1.433 1.926 2.305) 3.328 13.421 ( 4.283 7.041 5.220) 9.756 13.462 ( -1.867 4.700 0.099) 5.058 13.563 ( -7.256 1.116 -7.922) 10.801 13.870 ( -4.621 11.230 0.928) 12.179 14.047 ( 1.019 1.287 -0.390) 1.687 14.247 ( -5.565 5.827 -8.699) 11.857 14.267 ( 2.732 18.176 -7.796) 19.965 14.850 ( 14.947 -8.377 9.159) 19.429 15.204 ( 7.973 -12.213 -5.448) 15.569 15.351 ( -2.521 26.936 7.713) 28.131 15.717 ( 3.739 1.257 4.120) 5.704 15.874 ( 4.079 -17.382 1.859) 17.950 15.914 ( -3.122 6.035 -11.206) 13.105 17.014 ( 14.921 -4.511 11.215) 19.203 17.307 ( 11.925 -2.817 7.249) 14.236 17.744 ( 6.403 -1.621 2.477) 7.054 18.132 ( 4.806 -5.598 9.335) 11.899 18.236 ( 4.589 8.172 -9.096) 13.061 18.389 ( -4.667 -8.392 0.247) 9.606 18.459 ( 7.652 -12.160 2.286) 14.548 18.658 ( -1.799 -10.353 -3.679) 11.133 19.273 ( 5.312 -14.522 9.414) 18.103 19.313 ( 7.547 -16.640 9.194) 20.454 20.929 ( -10.416 16.251 -4.640) 19.853 21.076 ( -13.294 10.407 -10.090) 19.669 21.197 ( -8.200 5.415 -1.811) 9.992 21.311 ( -9.246 2.076 -5.956) 11.193 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 3.947 7.822 -0.697) 8.789 2.643 ( -5.452 5.639 -4.973) 9.288 2.953 ( 1.201 -4.441 1.747) 4.921 3.000 ( -3.255 -6.003 3.316) 7.591 3.160 ( 4.979 -0.935 0.233) 5.071 3.246 ( -3.469 -1.973 1.417) 4.234 3.404 ( -2.511 -2.986 -7.017) 8.028 3.412 ( -3.447 -3.049 -6.760) 8.178 3.861 ( 1.638 6.252 -0.054) 6.463 3.883 ( -0.204 6.005 -0.429) 6.024 4.462 ( 2.356 -14.965 3.481) 15.544 4.476 ( 0.965 -14.575 2.700) 14.854 8.025 ( 9.278 26.635 7.515) 29.189 8.146 ( -1.108 23.997 1.172) 24.051 8.222 ( 14.555 12.794 8.992) 21.364 8.540 ( -9.687 11.078 4.540) 15.401 8.775 ( 1.789 4.989 -11.308) 12.488 8.818 ( -2.640 7.105 -14.486) 16.349 9.191 ( 7.026 -11.285 13.296) 18.802 9.365 ( -6.889 -13.175 5.843) 15.975 9.613 ( 3.569 -12.548 6.681) 14.657 9.817 ( -12.649 -14.110 -0.812) 18.967 10.175 ( 2.449 -14.407 0.588) 14.625 10.196 ( -0.347 -10.592 2.138) 10.811 11.009 ( 6.362 9.632 3.268) 11.997 11.089 ( -1.171 8.361 -0.910) 8.491 11.172 ( 5.384 4.744 5.745) 9.192 11.355 ( -9.478 -0.332 6.494) 11.494 11.728 ( 2.402 4.007 -7.037) 8.447 11.774 ( -0.601 5.469 -14.330) 15.350 12.270 ( -0.359 -13.562 -8.318) 15.913 12.323 ( -4.732 -12.003 -9.032) 15.749 13.325 ( 1.458 3.929 -0.043) 4.191 13.378 ( -3.793 4.797 -0.205) 6.119 13.502 ( 0.089 -3.863 -6.842) 7.858 13.509 ( 1.309 0.468 -6.169) 6.323 13.811 ( 1.580 9.507 3.432) 10.230 13.939 ( -8.548 6.764 -1.681) 11.029 14.243 ( 3.630 15.908 -2.480) 16.504 14.300 ( -0.921 18.548 -3.938) 18.984 15.130 ( 10.680 -12.448 9.767) 19.090 15.269 ( -2.686 -11.676 7.018) 13.885 15.389 ( 6.742 27.191 -4.893) 28.439 15.574 ( -10.221 21.565 -8.815) 25.441 15.972 ( 4.126 -16.143 1.794) 16.758 15.986 ( 2.762 -19.194 -0.652) 19.403 17.286 ( 10.512 -13.339 3.983) 17.444 17.422 ( -1.500 -16.263 -1.925) 16.445 17.918 ( 10.131 14.191 13.155) 21.842 18.124 ( -8.867 17.533 5.670) 20.449 18.274 ( 6.743 -9.943 6.749) 13.780 18.384 ( -1.635 -13.409 5.952) 14.761 18.578 ( 3.338 -9.482 0.161) 10.053 18.615 ( -1.489 -7.111 -2.530) 7.693 19.362 ( 3.332 -16.241 12.380) 20.691 19.400 ( 0.561 -17.548 11.663) 21.078 20.790 ( -2.105 16.814 -11.409) 20.428 20.849 ( -7.492 14.124 -13.662) 21.030 21.094 ( -1.239 4.302 -4.933) 6.662 21.146 ( -5.832 3.059 -7.080) 9.670 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 5.008 8.355) 9.741 2.669 ( 0.000 -2.093 3.836) 4.370 3.057 ( 0.000 8.287 10.631) 13.479 3.219 ( 0.000 -10.401 3.630) 11.016 3.226 ( 0.000 3.717 -1.761) 4.113 3.354 ( 0.000 -5.474 -2.709) 6.107 3.559 ( 0.000 8.721 -8.170) 11.950 3.663 ( 0.000 3.151 -3.079) 4.405 3.762 ( 0.000 -5.018 -9.674) 10.898 3.822 ( 0.000 -5.772 -6.204) 8.474 4.135 ( 0.000 2.725 -1.811) 3.272 4.246 ( 0.000 -7.805 -6.115) 9.915 7.284 ( 0.000 7.004 -0.790) 7.049 7.390 ( 0.000 -4.191 -5.570) 6.971 7.941 ( 0.000 3.206 3.101) 4.460 7.974 ( 0.000 0.378 1.570) 1.615 8.737 ( 0.000 3.250 20.143) 20.403 8.844 ( 0.000 -7.438 18.000) 19.476 9.054 ( 0.000 10.892 13.719) 17.517 9.237 ( 0.000 -7.867 3.404) 8.572 9.885 ( 0.000 9.094 5.930) 10.856 10.024 ( 0.000 -3.944 -2.871) 4.878 10.105 ( 0.000 -1.518 5.413) 5.622 10.109 ( 0.000 0.456 3.876) 3.902 11.087 ( 0.000 5.010 -10.717) 11.830 11.167 ( 0.000 -2.120 3.408) 4.014 11.466 ( 0.000 18.461 -28.198) 33.704 11.846 ( 0.000 -16.052 -23.740) 28.658 11.936 ( 0.000 -0.834 4.306) 4.386 11.949 ( 0.000 -3.429 0.381) 3.450 13.009 ( 0.000 1.801 -0.001) 1.801 13.023 ( 0.000 0.183 1.330) 1.342 13.071 ( 0.000 -5.211 -1.513) 5.426 13.132 ( 0.000 -9.637 -4.193) 10.510 13.360 ( 0.000 -0.440 2.887) 2.920 13.364 ( 0.000 -1.870 1.071) 2.155 13.891 ( 0.000 12.189 6.934) 14.023 14.010 ( 0.000 0.242 1.424) 1.444 14.310 ( 0.000 3.667 4.875) 6.100 14.369 ( 0.000 -2.233 1.255) 2.561 14.860 ( 0.000 15.214 8.381) 17.370 15.066 ( 0.000 7.631 -16.029) 17.753 15.197 ( 0.000 -16.000 9.295) 18.504 15.215 ( 0.000 -5.005 -9.208) 10.481 16.180 ( 0.000 7.625 8.546) 11.453 16.210 ( 0.000 2.702 16.456) 16.676 16.811 ( 0.000 23.154 13.771) 26.939 17.052 ( 0.000 17.005 -19.500) 25.874 17.318 ( 0.000 -7.213 -13.520) 15.324 17.394 ( 0.000 -33.305 11.262) 35.157 17.768 ( 0.000 1.506 -19.071) 19.130 17.835 ( 0.000 -6.321 -4.392) 7.697 18.299 ( 0.000 -5.567 -1.796) 5.849 18.332 ( 0.000 -7.820 2.478) 8.204 18.902 ( 0.000 -1.180 2.502) 2.766 18.927 ( 0.000 -3.342 0.145) 3.345 21.631 ( 0.000 6.188 3.980) 7.357 21.702 ( 0.000 -1.237 1.353) 1.833 21.717 ( 0.000 6.161 1.489) 6.339 21.801 ( 0.000 -2.122 -3.740) 4.300 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 1.948 4.843 6.050) 7.990 2.688 ( 1.678 -1.804 3.053) 3.923 3.019 ( -2.760 8.858 9.348) 13.171 3.157 ( -4.826 2.959 -3.362) 6.584 3.194 ( -2.643 -8.680 6.833) 11.359 3.315 ( -3.799 -8.683 -0.416) 9.487 3.617 ( 3.244 6.836 -7.427) 10.603 3.695 ( 1.896 5.416 -5.465) 7.925 3.742 ( -2.485 -5.752 -6.995) 9.391 3.801 ( 0.295 -4.667 -7.858) 9.144 4.153 ( 1.576 1.868 -1.561) 2.900 4.246 ( 0.038 -6.924 -5.285) 8.711 7.394 ( 10.252 7.214 -0.041) 12.536 7.492 ( 9.479 -3.173 -4.178) 10.834 8.043 ( 8.340 4.542 6.026) 11.247 8.090 ( 10.656 0.773 2.993) 11.095 8.735 ( 0.797 0.158 17.177) 17.196 8.755 ( -5.454 -1.244 20.499) 21.249 9.118 ( 3.633 7.246 4.527) 9.283 9.292 ( 4.535 -9.247 -0.876) 10.336 9.903 ( 0.245 8.385 13.028) 15.495 10.028 ( -4.370 -2.974 7.933) 9.533 10.082 ( 3.894 2.969 -2.685) 5.585 10.196 ( 6.121 -5.799 -3.882) 9.283 10.966 ( -10.507 11.995 -8.628) 18.131 11.151 ( -1.312 -4.748 3.380) 5.974 11.366 ( -8.099 9.235 -18.733) 22.401 11.639 ( -10.893 -13.662 -8.682) 19.511 11.962 ( -0.017 1.476 -4.852) 5.072 12.004 ( 0.079 -2.406 -12.860) 13.083 12.775 ( -17.539 0.764 0.484) 17.562 12.840 ( -18.350 -5.509 -1.884) 19.251 13.123 ( 8.261 1.878 3.340) 9.106 13.186 ( 8.900 -3.904 0.513) 9.732 13.474 ( 7.114 -1.864 0.957) 7.416 13.509 ( 7.389 -4.826 -0.595) 8.846 14.009 ( 9.004 11.914 5.323) 15.854 14.124 ( 9.078 0.844 2.143) 9.366 14.205 ( -7.485 6.427 1.872) 10.042 14.324 ( -4.140 -5.354 -0.686) 6.802 14.867 ( -1.286 14.259 0.398) 14.322 15.018 ( -3.329 6.877 -14.949) 16.789 15.189 ( 3.029 -7.393 5.264) 9.568 15.284 ( 3.749 -15.019 2.435) 15.670 16.086 ( -5.355 15.184 11.925) 20.036 16.265 ( 1.822 -3.916 10.119) 11.002 16.883 ( 4.253 22.942 6.446) 24.207 17.011 ( -0.705 15.440 -10.280) 18.563 17.340 ( 1.732 -12.024 -10.198) 15.862 17.452 ( 5.499 -30.872 11.736) 33.482 17.869 ( 9.198 3.151 -16.448) 19.107 17.947 ( 9.629 -5.148 -6.010) 12.464 18.345 ( 4.739 -1.415 0.372) 4.960 18.433 ( 7.918 -8.385 0.170) 11.534 18.905 ( 0.096 -3.044 2.650) 4.037 18.911 ( -1.058 -3.574 1.624) 4.065 21.565 ( -6.154 6.713 2.902) 9.558 21.630 ( -6.620 2.283 1.229) 7.110 21.660 ( -5.314 1.828 0.170) 5.622 21.716 ( -7.821 -1.278 -3.985) 8.870 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 0.660 6.173 1.613) 6.415 2.728 ( 1.758 -2.067 -0.096) 2.715 2.980 ( -1.049 5.244 6.185) 8.177 3.062 ( -3.425 3.130 -1.489) 4.873 3.111 ( -5.142 -5.356 8.934) 11.617 3.235 ( -3.006 -9.369 3.984) 10.615 3.583 ( -4.626 0.930 -6.874) 8.337 3.620 ( -6.705 -2.607 -8.390) 11.052 3.808 ( 5.914 3.213 -5.675) 8.804 3.854 ( 3.246 -0.809 -6.904) 7.672 4.191 ( 1.776 -0.328 -0.559) 1.891 4.249 ( 0.188 -5.665 -3.001) 6.414 7.690 ( 17.453 8.027 2.055) 19.320 7.763 ( 15.863 0.002 -0.373) 15.867 8.218 ( 7.593 8.649 13.042) 17.394 8.366 ( 13.752 -3.105 8.312) 16.366 8.679 ( -0.196 7.572 16.332) 18.003 8.831 ( 8.100 -5.041 7.241) 11.977 9.165 ( 0.809 8.530 -4.267) 9.572 9.392 ( 4.249 -12.589 -9.363) 16.254 9.828 ( -7.753 2.518 11.009) 13.699 9.877 ( -10.356 -3.245 6.101) 12.450 10.139 ( -2.388 4.511 -3.455) 6.164 10.281 ( -1.438 -8.241 -7.194) 11.033 10.804 ( 0.117 15.300 3.205) 15.633 11.115 ( -1.796 -15.836 1.481) 16.007 11.212 ( -2.801 13.613 -0.880) 13.926 11.488 ( -4.852 -13.563 -1.997) 14.542 11.925 ( -2.700 4.623 -13.348) 14.382 11.943 ( -5.083 2.393 -14.863) 15.890 12.415 ( -15.541 -1.997 -2.963) 15.947 12.469 ( -15.422 -6.961 -4.221) 17.439 13.308 ( 7.286 5.223 2.981) 9.448 13.364 ( 6.281 0.047 2.123) 6.630 13.565 ( 0.839 0.483 0.452) 1.069 13.635 ( 4.026 -6.651 -1.162) 7.861 14.035 ( -4.843 8.117 5.227) 10.801 14.196 ( 5.458 5.441 -1.456) 7.843 14.236 ( -1.569 -2.262 0.133) 2.756 14.341 ( 8.689 -0.316 -3.030) 9.207 14.819 ( -0.770 16.895 -4.003) 17.380 14.996 ( 2.117 5.252 -10.862) 12.249 15.309 ( 6.507 -12.832 7.723) 16.329 15.359 ( 3.876 -16.959 3.654) 17.775 15.991 ( -3.130 22.371 9.765) 24.610 16.271 ( -0.970 -3.503 1.976) 4.137 16.877 ( -2.204 14.356 -5.751) 15.621 17.086 ( 2.578 -0.426 -3.614) 4.460 17.438 ( 9.707 -6.896 7.757) 14.211 17.623 ( 10.722 -22.500 13.435) 28.314 18.104 ( 12.006 4.064 -11.736) 17.275 18.180 ( 11.524 -3.480 -7.734) 14.308 18.470 ( 6.413 7.022 2.058) 9.730 18.595 ( 5.515 -2.706 -0.312) 6.151 18.891 ( 0.609 -8.340 5.424) 9.967 18.922 ( 1.071 -9.350 4.099) 10.265 21.389 ( -10.119 7.945 -0.210) 12.867 21.448 ( -10.052 3.200 -0.454) 10.559 21.500 ( -11.930 1.020 -5.032) 12.988 21.508 ( -8.904 -1.105 -2.590) 9.338 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 0.985 7.654 0.530) 7.735 2.754 ( 0.720 -1.610 -3.049) 3.522 2.925 ( -3.760 0.222 2.980) 4.803 2.982 ( -5.716 -5.168 4.484) 8.915 3.078 ( 3.292 4.694 3.462) 6.697 3.200 ( -0.471 -6.882 3.866) 7.908 3.467 ( -6.269 -0.641 -7.972) 10.162 3.480 ( -6.543 -1.876 -7.171) 9.887 3.911 ( 3.941 3.328 -3.737) 6.370 3.931 ( 4.387 1.962 -3.381) 5.876 4.215 ( 0.270 -4.072 0.912) 4.182 4.248 ( -0.483 -6.694 -0.448) 6.727 8.093 ( 20.482 10.051 4.745) 23.303 8.121 ( 17.539 6.229 4.976) 19.266 8.376 ( 8.460 9.371 12.357) 17.666 8.575 ( 6.833 -10.695 16.530) 20.840 8.786 ( 8.390 18.405 1.639) 20.293 8.985 ( 2.815 -0.430 0.994) 3.016 9.177 ( 2.012 4.974 -4.472) 6.985 9.391 ( -8.795 -4.602 -10.819) 14.683 9.604 ( -14.317 -6.198 5.064) 16.402 9.645 ( -5.062 -7.924 -1.872) 9.588 9.972 ( -10.524 -2.728 -1.421) 10.965 10.098 ( -13.451 -12.237 -7.477) 19.661 10.976 ( 12.465 11.904 12.243) 21.141 11.161 ( 4.626 -1.569 8.149) 9.501 11.226 ( 2.045 3.850 5.560) 7.065 11.393 ( -4.017 -9.572 5.311) 11.661 11.832 ( -3.910 7.027 -14.188) 16.309 11.893 ( 0.047 4.486 -17.714) 18.273 12.155 ( -9.337 -4.791 -8.770) 13.677 12.234 ( -7.469 -9.604 -10.260) 15.915 13.356 ( -0.973 3.196 1.091) 3.514 13.423 ( -1.268 -3.156 -0.721) 3.476 13.545 ( -1.768 5.071 -0.864) 5.440 13.628 ( -4.272 -1.416 -5.689) 7.254 14.018 ( 2.018 10.634 5.177) 11.998 14.240 ( 1.840 -2.927 -3.009) 4.583 14.264 ( 2.249 8.156 5.511) 10.097 14.477 ( 3.840 -3.612 -1.855) 5.589 14.892 ( 6.922 16.741 0.719) 18.130 15.086 ( 4.741 7.137 -5.365) 10.109 15.401 ( 3.561 -23.141 3.164) 23.626 15.472 ( 5.299 -18.176 1.685) 19.008 15.977 ( 2.261 28.886 4.554) 29.330 16.246 ( -1.055 10.996 -6.113) 12.626 16.833 ( -1.933 -7.583 -0.565) 7.846 17.050 ( -4.977 -20.305 -8.269) 22.482 17.734 ( 16.885 2.754 17.283) 24.318 17.883 ( 13.607 -12.342 14.283) 23.270 18.310 ( 6.188 4.172 -5.472) 9.254 18.397 ( 8.762 -2.176 -5.968) 10.823 18.585 ( 2.798 15.824 2.912) 16.331 18.604 ( -2.441 9.046 4.524) 10.405 18.945 ( 1.900 -17.681 7.753) 19.399 18.962 ( 4.042 -18.062 6.664) 19.672 21.177 ( -9.207 8.772 -4.710) 13.561 21.237 ( -9.948 5.497 -6.214) 12.953 21.260 ( -9.503 0.684 -5.029) 10.773 21.316 ( -8.965 -1.934 -5.897) 10.903 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 2.903 7.643 1.263) 8.273 2.753 ( -1.441 4.566 -0.972) 4.885 2.859 ( -1.513 -4.938 3.890) 6.466 2.884 ( -3.290 -5.357 3.606) 7.247 3.174 ( 5.379 2.347 -2.718) 6.467 3.219 ( 2.054 -1.313 -1.136) 2.690 3.335 ( -5.660 -2.613 -7.169) 9.501 3.348 ( -5.705 -3.108 -6.005) 8.847 3.992 ( 3.398 7.021 0.098) 7.801 4.010 ( 2.213 6.555 -0.261) 6.923 4.207 ( -0.429 -10.145 1.775) 10.308 4.224 ( -1.668 -10.437 1.168) 10.633 8.451 ( 12.981 15.119 9.421) 22.042 8.510 ( 18.423 13.672 6.797) 23.928 8.559 ( 5.554 13.688 8.109) 16.851 8.716 ( 4.397 -3.099 7.727) 9.415 8.876 ( -0.009 11.897 -0.750) 11.920 8.940 ( -2.372 2.430 -4.103) 5.326 9.079 ( -13.507 -2.483 2.878) 14.032 9.142 ( -11.544 -6.356 0.411) 13.185 9.443 ( 4.258 1.020 -1.211) 4.543 9.605 ( -5.899 -5.144 -7.944) 11.152 9.786 ( -2.113 -20.169 -0.863) 20.298 9.871 ( -7.442 -19.359 -5.333) 21.415 11.195 ( 5.925 8.210 10.716) 14.742 11.225 ( 1.233 4.400 7.795) 9.035 11.252 ( 1.859 2.718 7.596) 8.279 11.329 ( -3.027 -3.123 9.196) 10.172 11.836 ( 3.899 6.950 -12.609) 14.916 11.910 ( -0.525 6.642 -16.598) 17.885 12.032 ( -1.153 -9.330 -11.086) 14.535 12.107 ( -5.616 -9.856 -12.295) 16.729 13.365 ( 2.885 1.330 -2.513) 4.051 13.395 ( 0.508 -1.519 -3.492) 3.842 13.471 ( -4.645 0.659 -4.337) 6.389 13.498 ( -6.981 -1.688 -6.602) 9.755 14.093 ( 4.780 17.525 6.307) 19.229 14.192 ( -4.153 17.213 2.643) 17.903 14.394 ( 6.779 -7.718 5.063) 11.453 14.494 ( -2.227 -6.937 1.817) 7.509 15.042 ( 6.267 13.177 1.733) 14.694 15.126 ( -1.356 10.650 -0.556) 10.750 15.484 ( 3.825 -25.127 -0.570) 25.423 15.530 ( -0.006 -23.179 -1.177) 23.209 16.087 ( 7.259 34.794 -2.187) 35.611 16.211 ( -3.473 31.228 -7.840) 32.384 16.819 ( 1.695 -30.509 -0.469) 30.560 16.917 ( -6.756 -31.489 -5.145) 32.614 18.087 ( 15.934 3.731 14.492) 21.859 18.162 ( 12.320 -3.271 12.145) 17.606 18.326 ( -4.989 2.997 3.925) 7.020 18.396 ( -9.959 0.567 8.723) 13.252 18.589 ( 4.397 15.013 0.588) 15.655 18.640 ( 0.040 14.346 2.374) 14.541 18.987 ( 2.294 -21.138 8.887) 23.044 19.016 ( 0.325 -20.812 8.183) 22.365 21.044 ( -2.891 8.911 -8.954) 12.959 21.068 ( -5.140 8.031 -10.012) 13.826 21.135 ( -2.369 -0.767 -6.918) 7.353 21.164 ( -4.884 -1.764 -7.981) 9.522 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 0.000 0.000 -8.012) 8.012 2.840 ( 0.000 0.000 8.012) 8.012 2.992 ( 0.000 0.000 -22.146) 22.146 2.992 ( 0.000 0.000 22.146) 22.146 2.994 ( 0.000 0.000 -12.005) 12.005 2.994 ( 0.000 0.000 12.005) 12.005 3.799 ( 0.000 0.000 -0.873) 0.873 3.799 ( 0.000 0.000 0.873) 0.873 3.860 ( 0.000 0.000 -1.938) 1.938 3.860 ( 0.000 0.000 1.938) 1.938 4.480 ( 0.000 0.000 -9.071) 9.071 4.480 ( 0.000 0.000 9.071) 9.071 7.209 ( 0.000 0.000 -20.989) 20.989 7.209 ( 0.000 0.000 20.989) 20.989 7.735 ( 0.000 0.000 -2.122) 2.122 7.735 ( 0.000 0.000 2.122) 2.122 9.117 ( 0.000 0.000 -15.583) 15.583 9.117 ( 0.000 0.000 15.583) 15.583 9.160 ( 0.000 0.000 -18.213) 18.213 9.160 ( 0.000 0.000 18.213) 18.213 9.916 ( 0.000 0.000 -1.671) 1.671 9.916 ( 0.000 0.000 1.671) 1.671 10.085 ( 0.000 0.000 -30.115) 30.115 10.085 ( 0.000 0.000 30.115) 30.115 10.413 ( 0.000 0.000 -3.724) 3.724 10.413 ( 0.000 0.000 3.724) 3.724 11.805 ( 0.000 0.000 -24.062) 24.062 11.805 ( 0.000 0.000 24.062) 24.062 12.101 ( 0.000 0.000 -1.812) 1.812 12.101 ( 0.000 0.000 1.812) 1.812 13.141 ( 0.000 0.000 -5.591) 5.591 13.141 ( 0.000 0.000 5.591) 5.591 13.196 ( 0.000 0.000 -7.713) 7.713 13.196 ( 0.000 0.000 7.713) 7.713 13.455 ( 0.000 0.000 -5.452) 5.452 13.455 ( 0.000 0.000 5.452) 5.452 13.792 ( 0.000 0.000 -8.571) 8.571 13.792 ( 0.000 0.000 8.571) 8.571 14.451 ( 0.000 0.000 -12.155) 12.155 14.451 ( 0.000 0.000 12.155) 12.155 14.629 ( 0.000 0.000 -21.592) 21.592 14.629 ( 0.000 0.000 21.592) 21.592 15.178 ( 0.000 0.000 -10.832) 10.832 15.178 ( 0.000 0.000 10.832) 10.832 15.751 ( 0.000 0.000 -25.030) 25.030 15.751 ( 0.000 0.000 25.030) 25.030 16.600 ( 0.000 0.000 -29.235) 29.235 16.600 ( 0.000 0.000 29.235) 29.235 17.241 ( 0.000 0.000 -30.592) 30.592 17.241 ( 0.000 0.000 30.592) 30.592 18.568 ( 0.000 0.000 -17.617) 17.617 18.568 ( 0.000 0.000 17.617) 17.617 18.908 ( 0.000 0.000 -2.579) 2.579 18.908 ( 0.000 0.000 2.579) 2.579 19.170 ( 0.000 0.000 -4.904) 4.904 19.170 ( 0.000 0.000 4.904) 4.904 21.394 ( 0.000 0.000 -13.158) 13.158 21.394 ( 0.000 0.000 13.158) 13.158 21.564 ( 0.000 0.000 -6.327) 6.327 21.564 ( 0.000 0.000 6.327) 6.327 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -8.025 0.000 -5.554) 9.759 2.687 ( -8.025 0.000 5.554) 9.759 3.039 ( 4.155 0.000 -11.260) 12.002 3.039 ( 4.155 0.000 11.260) 12.002 3.182 ( 10.012 0.000 -8.923) 13.411 3.182 ( 10.012 0.000 8.923) 13.411 3.747 ( -4.863 0.000 -0.792) 4.927 3.747 ( -4.863 0.000 0.792) 4.927 3.798 ( -4.562 0.000 -0.885) 4.647 3.798 ( -4.562 0.000 0.885) 4.647 4.505 ( 2.561 0.000 -7.365) 7.798 4.505 ( 2.561 0.000 7.365) 7.798 7.259 ( 4.244 0.000 -20.632) 21.064 7.259 ( 4.244 0.000 20.632) 21.064 7.808 ( 6.531 0.000 -4.807) 8.110 7.808 ( 6.531 0.000 4.807) 8.110 9.034 ( -10.337 0.000 -17.832) 20.611 9.034 ( -10.337 0.000 17.832) 20.611 9.192 ( 6.802 0.000 -14.936) 16.412 9.192 ( 6.802 0.000 14.936) 16.412 9.963 ( 4.271 0.000 -7.372) 8.520 9.963 ( 4.271 0.000 7.372) 8.520 10.107 ( 2.288 0.000 -28.360) 28.452 10.107 ( 2.288 0.000 28.360) 28.452 10.547 ( 10.895 0.000 -16.458) 19.738 10.547 ( 10.895 0.000 16.458) 19.738 11.610 ( -16.944 0.000 -20.447) 26.555 11.610 ( -16.944 0.000 20.447) 26.555 12.078 ( -2.239 0.000 -0.805) 2.379 12.078 ( -2.239 0.000 0.805) 2.379 13.074 ( -9.953 0.000 -8.542) 13.116 13.074 ( -9.953 0.000 8.542) 13.116 13.196 ( 4.657 0.000 -8.488) 9.681 13.196 ( 4.657 0.000 8.488) 9.681 13.405 ( -4.011 0.000 -8.214) 9.141 13.405 ( -4.011 0.000 8.214) 9.141 13.784 ( -1.309 0.000 -8.211) 8.314 13.784 ( -1.309 0.000 8.211) 8.314 14.415 ( -4.690 0.000 -10.664) 11.649 14.415 ( -4.690 0.000 10.664) 11.649 14.754 ( 9.384 0.000 -18.811) 21.022 14.754 ( 9.384 0.000 18.811) 21.022 15.274 ( 10.271 0.000 -13.845) 17.239 15.274 ( 10.271 0.000 13.845) 17.239 15.625 ( -8.483 0.000 -23.017) 24.531 15.625 ( -8.483 0.000 23.017) 24.531 16.794 ( 15.811 0.000 -28.775) 32.833 16.794 ( 15.811 0.000 28.775) 32.833 17.299 ( 5.303 0.000 -30.667) 31.122 17.299 ( 5.303 0.000 30.667) 31.122 18.518 ( -4.116 0.000 -17.387) 17.867 18.518 ( -4.116 0.000 17.387) 17.867 19.039 ( 11.348 0.000 -1.714) 11.477 19.039 ( 11.348 0.000 1.714) 11.477 19.189 ( 1.729 0.000 -4.724) 5.030 19.189 ( 1.729 0.000 4.724) 5.030 21.268 ( -11.839 0.000 -12.599) 17.289 21.268 ( -11.839 0.000 12.599) 17.289 21.501 ( -5.864 0.000 -6.392) 8.674 21.501 ( -5.864 0.000 6.392) 8.674 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -5.605 0.000 -9.771) 11.264 2.547 ( -5.605 0.000 9.771) 11.264 3.153 ( 6.309 0.000 -9.582) 11.472 3.153 ( 6.309 0.000 9.582) 11.472 3.273 ( -2.106 0.000 -7.182) 7.484 3.273 ( -2.106 0.000 7.182) 7.484 3.611 ( -7.670 0.000 -0.124) 7.671 3.611 ( -7.670 0.000 0.124) 7.671 3.741 ( -0.435 0.000 -3.204) 3.233 3.741 ( -0.435 0.000 3.204) 3.233 4.603 ( 7.155 0.000 -3.869) 8.134 4.603 ( 7.155 0.000 3.869) 8.134 7.357 ( 4.547 0.000 -18.532) 19.082 7.357 ( 4.547 0.000 18.532) 19.082 7.977 ( 8.757 0.000 -11.598) 14.533 7.977 ( 8.757 0.000 11.598) 14.533 8.802 ( -10.731 0.000 -11.740) 15.905 8.802 ( -10.731 0.000 11.740) 15.905 9.374 ( 9.811 0.000 -14.088) 17.168 9.374 ( 9.811 0.000 14.088) 17.168 10.086 ( 7.332 0.000 -14.600) 16.337 10.086 ( 7.332 0.000 14.600) 16.337 10.187 ( 5.155 0.000 -22.876) 23.450 10.187 ( 5.155 0.000 22.876) 23.450 10.782 ( 10.203 0.000 -22.984) 25.147 10.782 ( 10.203 0.000 22.984) 25.147 11.188 ( -21.427 0.000 -12.369) 24.741 11.188 ( -21.427 0.000 12.369) 24.741 12.004 ( -4.801 0.000 -2.519) 5.422 12.004 ( -4.801 0.000 2.519) 5.422 12.856 ( -9.638 0.000 -7.315) 12.100 12.856 ( -9.638 0.000 7.315) 12.100 13.258 ( -2.717 0.000 -5.467) 6.105 13.258 ( -2.717 0.000 5.467) 6.105 13.374 ( 5.312 0.000 -8.937) 10.396 13.374 ( 5.312 0.000 8.937) 10.396 13.726 ( -4.235 0.000 -7.822) 8.895 13.726 ( -4.235 0.000 7.822) 8.895 14.258 ( -8.903 0.000 -6.362) 10.942 14.258 ( -8.903 0.000 6.362) 10.942 14.850 ( -3.537 0.000 -15.328) 15.731 14.850 ( -3.537 0.000 15.328) 15.731 15.564 ( 5.145 0.000 -14.052) 14.964 15.564 ( 5.145 0.000 14.052) 14.964 15.602 ( 19.804 0.000 -16.385) 25.703 15.602 ( 19.804 0.000 16.385) 25.703 17.164 ( 18.266 0.000 -25.622) 31.466 17.164 ( 18.266 0.000 25.622) 31.466 17.435 ( 6.507 0.000 -30.626) 31.310 17.435 ( 6.507 0.000 30.626) 31.310 18.431 ( -2.896 0.000 -15.121) 15.395 18.431 ( -2.896 0.000 15.121) 15.395 19.241 ( 3.204 0.000 -4.205) 5.287 19.241 ( 3.204 0.000 4.205) 5.287 19.321 ( 14.331 0.000 -3.034) 14.649 19.321 ( 14.331 0.000 3.034) 14.649 20.923 ( -20.445 0.000 -11.806) 23.609 20.923 ( -20.445 0.000 11.806) 23.609 21.331 ( -10.072 0.000 -6.379) 11.922 21.331 ( -10.072 0.000 6.379) 11.922 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -4.135 0.000 -9.789) 10.626 2.446 ( -4.135 0.000 9.789) 10.626 3.170 ( -5.654 0.000 -5.850) 8.136 3.170 ( -5.654 0.000 5.850) 8.136 3.273 ( 3.993 0.000 -8.512) 9.402 3.273 ( 3.993 0.000 8.512) 9.402 3.460 ( -5.493 0.000 -2.766) 6.150 3.460 ( -5.493 0.000 2.766) 6.150 3.735 ( -0.826 0.000 -3.284) 3.387 3.735 ( -0.826 0.000 3.284) 3.387 4.785 ( 9.192 0.000 -0.705) 9.219 4.785 ( 9.192 0.000 0.705) 9.219 7.432 ( 2.552 0.000 -13.185) 13.429 7.432 ( 2.552 0.000 13.185) 13.429 8.134 ( 5.423 0.000 -20.620) 21.321 8.134 ( 5.423 0.000 20.620) 21.321 8.617 ( -6.343 0.000 -6.917) 9.385 8.617 ( -6.343 0.000 6.917) 9.385 9.576 ( 9.458 0.000 -12.990) 16.069 9.576 ( 9.458 0.000 12.990) 16.069 10.253 ( 8.043 0.000 -17.695) 19.438 10.253 ( 8.043 0.000 17.695) 19.438 10.269 ( -0.201 0.000 -15.410) 15.412 10.269 ( -0.201 0.000 15.410) 15.412 10.811 ( -11.876 0.000 -6.537) 13.556 10.811 ( -11.876 0.000 6.537) 13.556 10.940 ( 4.774 0.000 -22.860) 23.353 10.940 ( 4.774 0.000 22.860) 23.353 11.890 ( -5.620 0.000 -2.596) 6.190 11.890 ( -5.620 0.000 2.596) 6.190 12.700 ( -5.212 0.000 -4.517) 6.897 12.700 ( -5.212 0.000 4.517) 6.897 13.165 ( -4.481 0.000 -3.454) 5.658 13.165 ( -4.481 0.000 3.454) 5.658 13.554 ( 10.333 0.000 -9.910) 14.317 13.554 ( 10.333 0.000 9.910) 14.317 13.621 ( -5.204 0.000 -10.450) 11.674 13.621 ( -5.204 0.000 10.450) 11.674 14.096 ( -5.961 0.000 -1.625) 6.178 14.096 ( -5.961 0.000 1.625) 6.178 14.651 ( -12.775 0.000 -16.554) 20.910 14.651 ( -12.775 0.000 16.554) 20.910 15.761 ( 10.482 0.000 -8.839) 13.712 15.761 ( 10.482 0.000 8.839) 13.712 16.039 ( 20.722 0.000 -15.333) 25.778 16.039 ( 20.722 0.000 15.333) 25.778 17.494 ( -2.184 0.000 -26.734) 26.823 17.494 ( -2.184 0.000 26.734) 26.823 17.513 ( 14.268 0.000 -18.362) 23.254 17.513 ( 14.268 0.000 18.362) 23.254 18.467 ( 7.346 0.000 -12.648) 14.626 18.467 ( 7.346 0.000 12.648) 14.626 19.317 ( 3.834 0.000 -3.255) 5.029 19.317 ( 3.834 0.000 3.255) 5.029 19.592 ( 10.929 0.000 -11.349) 15.756 19.592 ( 10.929 0.000 11.349) 15.756 20.455 ( -23.175 0.000 -13.299) 26.720 20.455 ( -23.175 0.000 13.299) 26.720 21.107 ( -10.512 0.000 -5.501) 11.864 21.107 ( -10.512 0.000 5.501) 11.864 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -1.754 0.000 -4.244) 4.592 2.381 ( -1.754 0.000 4.244) 4.592 3.083 ( -2.205 0.000 -2.382) 3.246 3.083 ( -2.205 0.000 2.382) 3.246 3.278 ( -1.696 0.000 -3.096) 3.530 3.278 ( -1.696 0.000 3.096) 3.530 3.431 ( 1.017 0.000 -1.370) 1.707 3.431 ( 1.017 0.000 1.370) 1.707 3.714 ( -0.724 0.000 -1.253) 1.447 3.714 ( -0.724 0.000 1.253) 1.447 4.934 ( 4.086 0.000 -0.290) 4.097 4.934 ( 4.086 0.000 0.290) 4.097 7.465 ( 0.717 0.000 -4.793) 4.846 7.465 ( 0.717 0.000 4.793) 4.846 8.187 ( 0.350 0.000 -12.996) 13.001 8.187 ( 0.350 0.000 12.996) 13.001 8.549 ( -0.806 0.000 -7.239) 7.284 8.549 ( -0.806 0.000 7.239) 7.284 9.769 ( 8.322 0.000 -7.903) 11.477 9.769 ( 8.322 0.000 7.903) 11.477 10.126 ( -9.578 0.000 -5.655) 11.123 10.126 ( -9.578 0.000 5.655) 11.123 10.387 ( 3.909 0.000 -9.138) 9.939 10.387 ( 3.909 0.000 9.138) 9.939 10.731 ( 0.741 0.000 -3.494) 3.572 10.731 ( 0.741 0.000 3.494) 3.572 10.993 ( 0.835 0.000 -10.867) 10.900 10.993 ( 0.835 0.000 10.867) 10.900 11.797 ( -2.654 0.000 -0.826) 2.779 11.797 ( -2.654 0.000 0.826) 2.779 12.634 ( -1.396 0.000 -1.637) 2.152 12.634 ( -1.396 0.000 1.637) 2.152 13.095 ( -1.829 0.000 -1.481) 2.353 13.095 ( -1.829 0.000 1.481) 2.353 13.537 ( -2.330 0.000 -5.324) 5.811 13.537 ( -2.330 0.000 5.324) 5.811 13.761 ( 7.576 0.000 -7.203) 10.454 13.761 ( 7.576 0.000 7.203) 10.454 14.016 ( -1.876 0.000 -1.341) 2.306 14.016 ( -1.876 0.000 1.341) 2.306 14.403 ( -8.699 0.000 -9.655) 12.996 14.403 ( -8.699 0.000 9.655) 12.996 15.924 ( 4.257 0.000 -3.196) 5.323 15.924 ( 4.257 0.000 3.196) 5.323 16.396 ( 11.043 0.000 -8.545) 13.963 16.396 ( 11.043 0.000 8.545) 13.963 17.382 ( -5.602 0.000 -12.543) 13.737 17.382 ( -5.602 0.000 12.543) 13.737 17.726 ( 5.464 0.000 -6.778) 8.706 17.726 ( 5.464 0.000 6.778) 8.706 18.675 ( 8.748 0.000 -7.149) 11.298 18.675 ( 8.748 0.000 7.149) 11.298 19.384 ( 2.019 0.000 -1.369) 2.439 19.384 ( 2.019 0.000 1.369) 2.439 19.758 ( 4.774 0.000 -20.458) 21.007 19.758 ( 4.774 0.000 20.458) 21.007 20.036 ( -13.937 0.000 -18.450) 23.122 20.036 ( -13.937 0.000 18.450) 23.122 20.936 ( -4.843 0.000 -2.403) 5.407 20.936 ( -4.843 0.000 2.403) 5.407 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 0.000 -5.722 -0.339) 5.732 2.760 ( 0.000 -5.722 0.339) 5.732 3.025 ( 0.000 5.140 -16.748) 17.519 3.025 ( 0.000 5.140 16.748) 17.519 3.101 ( 0.000 7.021 -0.692) 7.055 3.101 ( 0.000 7.021 0.692) 7.055 3.722 ( 0.000 -7.423 -0.035) 7.423 3.722 ( 0.000 -7.423 0.035) 7.423 3.860 ( 0.000 -0.576 -1.005) 1.158 3.860 ( 0.000 -0.576 1.005) 1.158 4.414 ( 0.000 -6.180 -8.632) 10.616 4.414 ( 0.000 -6.180 8.632) 10.616 7.235 ( 0.000 2.184 -17.087) 17.226 7.235 ( 0.000 2.184 17.087) 17.226 7.788 ( 0.000 5.067 -0.477) 5.089 7.788 ( 0.000 5.067 0.477) 5.089 9.092 ( 0.000 -2.912 -13.914) 14.216 9.092 ( 0.000 -2.912 13.914) 14.216 9.169 ( 0.000 1.548 -17.846) 17.913 9.169 ( 0.000 1.548 17.846) 17.913 9.905 ( 0.000 -0.627 -7.463) 7.490 9.905 ( 0.000 -0.627 7.463) 7.490 10.105 ( 0.000 2.437 -16.182) 16.364 10.105 ( 0.000 2.437 16.182) 16.364 10.513 ( 0.000 8.978 -0.419) 8.988 10.513 ( 0.000 8.978 0.419) 8.988 11.756 ( 0.000 -4.861 -23.165) 23.670 11.756 ( 0.000 -4.861 23.165) 23.670 12.074 ( 0.000 -2.498 -0.791) 2.621 12.074 ( 0.000 -2.498 0.791) 2.621 13.156 ( 0.000 -0.115 -8.250) 8.250 13.156 ( 0.000 -0.115 8.250) 8.250 13.249 ( 0.000 2.885 -3.618) 4.627 13.249 ( 0.000 2.885 3.618) 4.627 13.487 ( 0.000 6.552 -3.195) 7.290 13.487 ( 0.000 6.552 3.195) 7.290 13.660 ( 0.000 -12.095 -6.509) 13.736 13.660 ( 0.000 -12.095 6.509) 13.736 14.461 ( 0.000 0.997 -11.839) 11.881 14.461 ( 0.000 0.997 11.839) 11.881 14.616 ( 0.000 -0.428 -17.318) 17.323 14.616 ( 0.000 -0.428 17.318) 17.323 15.242 ( 0.000 4.919 -12.196) 13.151 15.242 ( 0.000 4.919 12.196) 13.151 15.891 ( 0.000 13.604 -24.821) 28.304 15.891 ( 0.000 13.604 24.821) 28.304 16.592 ( 0.000 -0.751 -25.594) 25.605 16.592 ( 0.000 -0.751 25.594) 25.605 17.255 ( 0.000 1.646 -26.835) 26.886 17.255 ( 0.000 1.646 26.835) 26.886 18.506 ( 0.000 -7.172 -16.801) 18.268 18.506 ( 0.000 -7.172 16.801) 18.268 18.722 ( 0.000 -16.759 -6.611) 18.016 18.722 ( 0.000 -16.759 6.611) 18.016 19.122 ( 0.000 -4.631 -2.038) 5.060 19.122 ( 0.000 -4.631 2.038) 5.060 21.470 ( 0.000 6.760 -11.464) 13.308 21.470 ( 0.000 6.760 11.464) 13.308 21.599 ( 0.000 3.303 -5.701) 6.589 21.599 ( 0.000 3.303 5.701) 6.589 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -6.008 -1.138 -4.893) 7.832 2.676 ( -6.008 -1.138 4.893) 7.832 3.016 ( 2.158 -0.112 -11.646) 11.845 3.016 ( 2.158 -0.112 11.646) 11.845 3.270 ( 9.309 7.012 -5.787) 13.012 3.270 ( 9.309 7.012 5.787) 13.012 3.674 ( -3.720 -7.121 -0.470) 8.048 3.674 ( -3.720 -7.121 0.470) 8.048 3.801 ( -4.971 -0.214 -0.441) 4.996 3.801 ( -4.971 -0.214 0.441) 4.996 4.433 ( 2.027 -6.672 -7.047) 9.913 4.433 ( 2.027 -6.672 7.047) 9.913 7.302 ( 5.966 3.749 -16.915) 18.324 7.302 ( 5.966 3.749 16.915) 18.324 7.864 ( 6.667 5.548 -2.735) 9.095 7.864 ( 6.667 5.548 2.735) 9.095 9.014 ( -7.661 -1.609 -14.347) 16.344 9.014 ( -7.661 -1.609 14.347) 16.344 9.200 ( 4.267 0.644 -17.593) 18.115 9.200 ( 4.267 0.644 17.593) 18.115 9.972 ( 5.253 0.903 -5.361) 7.560 9.972 ( 5.253 0.903 5.361) 7.560 10.113 ( 1.818 0.822 -19.372) 19.474 10.113 ( 1.818 0.822 19.372) 19.474 10.600 ( 6.828 5.250 -17.448) 19.458 10.600 ( 6.828 5.250 17.448) 19.458 11.597 ( -13.509 -1.500 -19.635) 23.880 11.597 ( -13.509 -1.500 19.635) 23.880 12.045 ( -2.934 -3.301 -1.353) 4.619 12.045 ( -2.934 -3.301 1.353) 4.619 12.991 ( -11.405 -4.992 -6.752) 14.163 12.991 ( -11.405 -4.992 6.752) 14.163 13.312 ( 2.504 -0.190 -9.826) 10.142 13.312 ( 2.504 -0.190 9.826) 10.142 13.443 ( -1.831 11.882 -6.953) 13.888 13.443 ( -1.831 11.882 6.953) 13.888 13.729 ( 3.183 -5.228 -6.148) 8.676 13.729 ( 3.183 -5.228 6.148) 8.676 14.402 ( -5.622 -0.786 -12.544) 13.769 14.402 ( -5.622 -0.786 12.544) 13.769 14.692 ( 7.047 -4.637 -16.332) 18.382 14.692 ( 7.047 -4.637 16.332) 18.382 15.359 ( 10.431 6.299 -14.273) 18.767 15.359 ( 10.431 6.299 14.273) 18.767 15.748 ( -9.899 11.991 -23.270) 27.987 15.748 ( -9.899 11.991 23.270) 27.987 16.779 ( 14.633 -1.376 -24.408) 28.492 16.779 ( 14.633 -1.376 24.408) 28.492 17.327 ( 6.733 2.920 -25.500) 26.535 17.327 ( 6.733 2.920 25.500) 26.535 18.471 ( -2.920 -5.281 -16.330) 17.410 18.471 ( -2.920 -5.281 16.330) 17.410 18.798 ( 5.880 -19.634 -5.671) 21.266 18.798 ( 5.880 -19.634 5.671) 21.266 19.178 ( 5.752 -3.699 -1.757) 7.061 19.178 ( 5.752 -3.699 1.757) 7.061 21.352 ( -10.963 7.596 -10.822) 17.176 21.352 ( -10.963 7.596 10.822) 17.176 21.536 ( -5.863 3.256 -5.529) 8.692 21.536 ( -5.863 3.256 5.529) 8.692 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -4.729 1.545 -8.656) 9.983 2.561 ( -4.729 1.545 8.656) 9.983 3.087 ( 3.527 -3.919 -6.429) 8.315 3.087 ( 3.527 -3.919 6.429) 8.315 3.349 ( -2.033 4.783 -5.428) 7.515 3.349 ( -2.033 4.783 5.428) 7.515 3.591 ( -5.859 -2.662 -2.319) 6.840 3.591 ( -5.859 -2.662 2.319) 6.840 3.726 ( 0.247 -0.768 -2.624) 2.745 3.726 ( 0.247 -0.768 2.624) 2.745 4.513 ( 5.963 -8.268 -3.796) 10.878 4.513 ( 5.963 -8.268 3.796) 10.878 7.452 ( 7.548 8.583 -15.807) 19.507 7.452 ( 7.548 8.583 15.807) 19.507 8.031 ( 8.559 5.716 -9.086) 13.729 8.031 ( 8.559 5.716 9.086) 13.729 8.824 ( -9.561 2.357 -10.700) 14.541 8.824 ( -9.561 2.357 10.700) 14.541 9.335 ( 7.933 -3.827 -16.244) 18.479 9.335 ( 7.933 -3.827 16.244) 18.479 10.053 ( 2.587 -3.070 -11.777) 12.443 10.053 ( 2.587 -3.070 11.777) 12.443 10.231 ( 8.353 2.854 -16.523) 18.733 10.231 ( 8.353 2.854 16.523) 18.733 10.721 ( 3.348 -2.647 -19.524) 19.985 10.721 ( 3.348 -2.647 19.524) 19.985 11.294 ( -12.910 8.046 -9.858) 18.126 11.294 ( -12.910 8.046 9.858) 18.126 11.950 ( -5.968 -5.342 -2.534) 8.401 11.950 ( -5.968 -5.342 2.534) 8.401 12.753 ( -10.434 -8.937 -5.766) 14.900 12.753 ( -10.434 -8.937 5.766) 14.900 13.321 ( -1.542 1.207 -8.223) 8.453 13.321 ( -1.542 1.207 8.223) 8.453 13.448 ( 2.068 9.871 -7.493) 12.564 13.448 ( 2.068 9.871 7.493) 12.564 13.751 ( -0.447 4.200 -1.485) 4.478 13.751 ( -0.447 4.200 1.485) 4.478 14.229 ( -9.613 -2.052 -8.338) 12.889 14.229 ( -9.613 -2.052 8.338) 12.889 14.882 ( 7.851 -1.311 -13.404) 15.589 14.882 ( 7.851 -1.311 13.404) 15.589 15.472 ( -2.061 3.337 -15.561) 16.048 15.472 ( -2.061 3.337 15.561) 16.048 15.749 ( 13.731 4.972 -12.600) 19.288 15.749 ( 13.731 4.972 12.600) 19.288 17.103 ( 15.066 -4.823 -19.234) 24.904 17.103 ( 15.066 -4.823 19.234) 24.904 17.520 ( 10.903 7.281 -21.747) 25.393 17.520 ( 10.903 7.281 21.747) 25.393 18.404 ( -2.621 -2.831 -13.990) 14.512 18.404 ( -2.621 -2.831 13.990) 14.512 18.908 ( 4.088 -23.245 -4.065) 23.949 18.908 ( 4.088 -23.245 4.065) 23.949 19.367 ( 11.611 -3.512 -0.566) 12.144 19.367 ( 11.611 -3.512 0.566) 12.144 21.036 ( -18.567 10.109 -9.628) 23.229 21.036 ( -18.567 10.109 9.628) 23.229 21.366 ( -9.965 3.273 -5.500) 11.843 21.366 ( -9.965 3.273 5.500) 11.843 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -3.187 3.383 -8.792) 9.945 2.479 ( -3.187 3.383 8.792) 9.945 3.109 ( -2.023 -4.408 -4.665) 6.730 3.109 ( -2.023 -4.408 4.665) 6.730 3.302 ( -0.691 1.140 -8.819) 8.920 3.302 ( -0.691 1.140 8.819) 8.920 3.449 ( -6.139 -1.273 -3.030) 6.964 3.449 ( -6.139 -1.273 3.030) 6.964 3.754 ( 1.009 2.039 -2.506) 3.384 3.754 ( 1.009 2.039 2.506) 3.384 4.668 ( 7.866 -10.904 -0.924) 13.476 4.668 ( 7.866 -10.904 0.924) 13.476 7.587 ( 5.037 14.702 -11.812) 19.520 7.587 ( 5.037 14.702 11.812) 19.520 8.192 ( 6.038 5.880 -18.843) 20.642 8.192 ( 6.038 5.880 18.843) 20.642 8.646 ( -6.697 3.246 -3.918) 8.411 8.646 ( -6.697 3.246 3.918) 8.411 9.502 ( 7.646 -7.013 -13.223) 16.808 9.502 ( 7.646 -7.013 13.223) 16.808 10.094 ( -0.142 -11.294 -15.484) 19.166 10.094 ( -0.142 -11.294 15.484) 19.166 10.347 ( 1.738 0.925 -8.049) 8.287 10.347 ( 1.738 0.925 8.049) 8.287 10.763 ( 3.150 2.463 -0.874) 4.093 10.763 ( 3.150 2.463 0.874) 4.093 11.127 ( -3.525 12.604 -13.415) 18.742 11.127 ( -3.525 12.604 13.415) 18.742 11.821 ( -5.775 -6.560 -2.307) 9.039 11.821 ( -5.775 -6.560 2.307) 9.039 12.575 ( -6.495 -11.143 -3.686) 13.414 12.575 ( -6.495 -11.143 3.686) 13.414 13.268 ( -3.052 8.603 -0.967) 9.180 13.268 ( -3.052 8.603 0.967) 9.180 13.492 ( 1.247 -3.894 -2.199) 4.643 13.492 ( 1.247 -3.894 2.199) 4.643 13.752 ( 1.590 11.633 -7.272) 13.811 13.752 ( 1.590 11.633 7.272) 13.811 14.055 ( -6.529 -1.518 -0.859) 6.758 14.055 ( -6.529 -1.518 0.859) 6.758 14.887 ( -6.097 19.321 -11.444) 23.269 14.887 ( -6.097 19.321 11.444) 23.269 15.556 ( 9.168 -14.562 -9.586) 19.697 15.556 ( 9.168 -14.562 9.586) 19.697 16.069 ( 14.524 -2.206 -9.700) 17.604 16.069 ( 14.524 -2.206 9.700) 17.604 17.367 ( 9.173 -5.573 -14.078) 17.703 17.367 ( 9.173 -5.573 14.078) 17.703 17.718 ( 6.709 12.927 -15.535) 21.295 17.718 ( 6.709 12.927 15.535) 21.295 18.423 ( 5.881 -4.396 -11.425) 13.580 18.423 ( 5.881 -4.396 11.425) 13.580 18.965 ( 1.105 -25.152 -2.175) 25.270 18.965 ( 1.105 -25.152 2.175) 25.270 19.614 ( 11.066 -5.160 -4.668) 13.072 19.614 ( 11.066 -5.160 4.668) 13.072 20.620 ( -19.999 14.685 -8.962) 26.381 20.620 ( -19.999 14.685 8.962) 26.381 21.147 ( -10.227 3.564 -4.781) 11.839 21.147 ( -10.227 3.564 4.781) 11.839 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -1.282 4.918 -3.848) 6.375 2.431 ( -1.282 4.918 3.848) 6.375 3.056 ( -1.760 -2.522 -2.416) 3.911 3.056 ( -1.760 -2.522 2.416) 3.911 3.284 ( -1.324 0.007 -4.048) 4.259 3.284 ( -1.324 0.007 4.048) 4.259 3.379 ( -0.763 -4.271 -1.670) 4.649 3.379 ( -0.763 -4.271 1.670) 4.649 3.766 ( 0.298 4.552 -0.987) 4.667 3.766 ( 0.298 4.552 0.987) 4.667 4.796 ( 3.516 -12.906 -0.173) 13.377 4.796 ( 3.516 -12.906 0.173) 13.377 7.657 ( 1.663 18.627 -4.323) 19.194 7.657 ( 1.663 18.627 4.323) 19.194 8.257 ( 0.618 7.088 -13.369) 15.144 8.257 ( 0.618 7.088 13.369) 15.144 8.570 ( -0.936 2.390 -6.908) 7.369 8.570 ( -0.936 2.390 6.908) 7.369 9.646 ( 5.474 -11.231 -6.394) 14.035 9.646 ( 5.474 -11.231 6.394) 14.035 9.999 ( -6.266 -11.731 -5.794) 14.507 9.999 ( -6.266 -11.731 5.794) 14.507 10.396 ( 2.757 -1.796 -3.452) 4.769 10.396 ( 2.757 -1.796 3.452) 4.769 10.820 ( 0.692 9.120 -3.207) 9.692 10.820 ( 0.692 9.120 3.207) 9.692 11.113 ( 1.223 10.731 -9.126) 14.140 11.113 ( 1.223 10.731 9.126) 14.140 11.728 ( -2.648 -6.060 -0.890) 6.672 11.728 ( -2.648 -6.060 0.890) 6.672 12.483 ( -2.230 -12.724 -1.221) 12.975 12.483 ( -2.230 -12.724 1.221) 12.975 13.215 ( -1.535 9.121 -0.484) 9.262 13.215 ( -1.535 9.121 0.484) 9.262 13.494 ( -0.390 -3.364 -3.415) 4.809 13.494 ( -0.390 -3.364 3.415) 4.809 13.821 ( 3.849 1.032 -7.528) 8.518 13.821 ( 3.849 1.032 7.528) 8.518 13.952 ( -3.564 5.951 -3.279) 7.673 13.952 ( -3.564 5.951 3.279) 7.673 14.757 ( -4.215 27.892 -5.611) 28.761 14.757 ( -4.215 27.892 5.611) 28.761 15.721 ( 4.775 -17.957 -3.784) 18.963 15.721 ( 4.775 -17.957 3.784) 18.963 16.300 ( 6.462 -10.599 -4.061) 13.061 16.300 ( 6.462 -10.599 4.061) 13.061 17.461 ( 0.796 3.955 -7.284) 8.327 17.461 ( 0.796 3.955 7.284) 8.327 17.807 ( 2.336 9.833 -5.599) 11.554 17.807 ( 2.336 9.833 5.599) 11.554 18.619 ( 9.595 -5.983 -7.912) 13.801 18.619 ( 9.595 -5.983 7.912) 13.801 18.939 ( -3.296 -28.266 -3.357) 28.655 18.939 ( -3.296 -28.266 3.357) 28.655 19.802 ( 6.241 -9.219 -5.766) 12.538 19.802 ( 6.241 -9.219 5.766) 12.538 20.271 ( -11.195 22.500 -6.689) 26.006 20.271 ( -11.195 22.500 6.689) 26.006 20.981 ( -4.625 4.032 -2.076) 6.477 20.981 ( -4.625 4.032 2.076) 6.477 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 0.000 -1.526 -2.805) 3.193 2.680 ( 0.000 -1.526 2.805) 3.193 3.159 ( 0.000 7.549 -14.047) 15.947 3.159 ( 0.000 7.549 14.047) 15.947 3.228 ( 0.000 4.119 -3.685) 5.527 3.228 ( 0.000 4.119 3.685) 5.527 3.551 ( 0.000 -7.385 -4.428) 8.610 3.551 ( 0.000 -7.385 4.428) 8.610 3.819 ( 0.000 -3.816 -2.174) 4.392 3.819 ( 0.000 -3.816 2.174) 4.392 4.270 ( 0.000 -7.657 -7.100) 10.442 4.270 ( 0.000 -7.657 7.100) 10.442 7.276 ( 0.000 1.766 -9.443) 9.606 7.276 ( 0.000 1.766 9.443) 9.606 7.902 ( 0.000 5.682 -1.490) 5.874 7.902 ( 0.000 5.682 1.490) 5.874 9.027 ( 0.000 -3.106 -9.810) 10.290 9.027 ( 0.000 -3.106 9.810) 10.290 9.208 ( 0.000 1.724 -12.839) 12.954 9.208 ( 0.000 1.724 12.839) 12.954 9.919 ( 0.000 2.302 -7.650) 7.989 9.919 ( 0.000 2.302 7.650) 7.989 10.172 ( 0.000 3.928 -4.286) 5.814 10.172 ( 0.000 3.928 4.286) 5.814 10.730 ( 0.000 13.014 -1.155) 13.065 10.730 ( 0.000 13.014 1.155) 13.065 11.616 ( 0.000 -9.724 -21.939) 23.997 11.616 ( 0.000 -9.724 21.939) 23.997 12.019 ( 0.000 -2.675 -0.283) 2.690 12.019 ( 0.000 -2.675 0.283) 2.690 13.094 ( 0.000 -5.372 -0.492) 5.395 13.094 ( 0.000 -5.372 0.492) 5.395 13.247 ( 0.000 -4.734 -0.973) 4.833 13.247 ( 0.000 -4.734 0.973) 4.833 13.418 ( 0.000 -7.946 -4.039) 8.914 13.418 ( 0.000 -7.946 4.039) 8.914 13.735 ( 0.000 14.990 -7.883) 16.936 13.735 ( 0.000 14.990 7.883) 16.936 14.474 ( 0.000 0.025 -5.461) 5.461 14.474 ( 0.000 0.025 5.461) 5.461 14.660 ( 0.000 5.837 -7.062) 9.162 14.660 ( 0.000 5.837 7.062) 9.162 15.303 ( 0.000 0.187 -10.694) 10.696 15.303 ( 0.000 0.187 10.694) 10.696 16.217 ( 0.000 16.459 -22.574) 27.937 16.217 ( 0.000 16.459 22.574) 27.937 16.595 ( 0.000 3.442 -18.088) 18.412 16.595 ( 0.000 3.442 18.088) 18.412 17.309 ( 0.000 3.688 -19.047) 19.401 17.309 ( 0.000 3.688 19.047) 19.401 18.167 ( 0.000 -26.558 -1.227) 26.587 18.167 ( 0.000 -26.558 1.227) 26.587 18.460 ( 0.000 -8.557 -3.279) 9.163 18.460 ( 0.000 -8.557 3.279) 9.163 19.013 ( 0.000 -5.756 -0.097) 5.756 19.013 ( 0.000 -5.756 0.097) 5.756 21.610 ( 0.000 6.599 -7.379) 9.899 21.610 ( 0.000 6.599 7.379) 9.899 21.676 ( 0.000 4.111 -4.040) 5.764 21.676 ( 0.000 4.111 4.040) 5.764 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -1.870 0.459 -4.368) 4.773 2.662 ( -1.870 0.459 4.368) 4.773 3.061 ( -3.029 4.028 -8.396) 9.792 3.061 ( -3.029 4.028 8.396) 9.792 3.403 ( 9.003 3.239 -0.705) 9.594 3.403 ( 9.003 3.239 0.705) 9.594 3.505 ( -3.649 -6.383 -5.401) 9.123 3.505 ( -3.649 -6.383 5.401) 9.123 3.773 ( -3.909 -2.822 -1.137) 4.954 3.773 ( -3.909 -2.822 1.137) 4.954 4.283 ( 1.290 -7.774 -5.849) 9.813 4.283 ( 1.290 -7.774 5.849) 9.813 7.374 ( 9.060 3.145 -9.194) 13.285 7.374 ( 9.060 3.145 9.194) 13.285 8.000 ( 8.437 7.342 -0.801) 11.213 8.000 ( 8.437 7.342 0.801) 11.213 8.987 ( -3.312 -0.927 -9.805) 10.391 8.987 ( -3.312 -0.927 9.805) 10.391 9.203 ( -0.092 -0.639 -18.030) 18.042 9.203 ( -0.092 -0.639 18.030) 18.042 10.005 ( 5.711 2.720 -6.188) 8.849 10.005 ( 5.711 2.720 6.188) 8.849 10.140 ( -1.288 1.582 -6.794) 7.093 10.140 ( -1.288 1.582 6.794) 7.093 10.749 ( 1.167 9.995 -16.922) 19.689 10.749 ( 1.167 9.995 16.922) 19.689 11.532 ( -6.574 -6.118 -18.416) 20.489 11.532 ( -6.574 -6.118 18.416) 20.489 11.966 ( -4.870 -3.924 -1.471) 6.425 11.966 ( -4.870 -3.924 1.471) 6.425 12.890 ( -16.028 -5.472 -4.882) 17.626 12.890 ( -16.028 -5.472 4.882) 17.626 13.234 ( 2.948 -4.357 -5.150) 7.362 13.234 ( 2.948 -4.357 5.150) 7.362 13.595 ( 7.522 -6.495 -3.669) 10.594 13.595 ( 7.522 -6.495 3.669) 10.594 13.790 ( 5.477 17.986 -5.826) 19.683 13.790 ( 5.477 17.986 5.826) 19.683 14.392 ( -6.470 -0.765 -10.553) 12.403 14.392 ( -6.470 -0.765 10.553) 12.403 14.651 ( 0.248 2.433 -9.265) 9.582 14.651 ( 0.248 2.433 9.265) 9.582 15.421 ( 9.915 -1.492 -11.249) 15.069 15.421 ( 9.915 -1.492 11.249) 15.069 16.051 ( -11.565 17.162 -20.425) 29.076 16.051 ( -11.565 17.162 20.425) 29.076 16.764 ( 11.839 1.138 -17.531) 21.185 16.764 ( 11.839 1.138 17.531) 21.185 17.408 ( 9.250 4.871 -17.815) 20.655 17.408 ( 9.250 4.871 17.815) 20.655 18.198 ( 2.619 -24.285 -3.903) 24.736 18.198 ( 2.619 -24.285 3.903) 24.736 18.493 ( 2.504 -7.704 -5.086) 9.565 18.493 ( 2.504 -7.704 5.086) 9.565 19.055 ( 4.368 -7.656 -0.601) 8.835 19.055 ( 4.368 -7.656 0.601) 8.835 21.513 ( -9.160 7.711 -6.945) 13.842 21.513 ( -9.160 7.711 6.945) 13.842 21.610 ( -6.116 3.742 -3.260) 7.876 21.610 ( -6.116 3.742 3.260) 7.876 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -2.446 3.652 -6.330) 7.706 2.612 ( -2.446 3.652 6.330) 7.706 3.040 ( 0.055 -0.811 -4.056) 4.137 3.040 ( 0.055 -0.811 4.056) 4.137 3.391 ( -5.166 -1.846 -8.558) 10.165 3.391 ( -5.166 -1.846 8.558) 10.165 3.512 ( -2.426 -4.084 -6.207) 7.816 3.512 ( -2.426 -4.084 6.207) 7.816 3.734 ( 2.467 1.657 -2.590) 3.942 3.734 ( 2.467 1.657 2.590) 3.942 4.332 ( 3.574 -8.973 -3.366) 10.228 4.332 ( 3.574 -8.973 3.366) 10.228 7.627 ( 14.228 7.802 -8.488) 18.312 7.627 ( 14.228 7.802 8.488) 18.312 8.199 ( 9.362 10.862 -4.291) 14.969 8.199 ( 9.362 10.862 4.291) 14.969 8.895 ( -5.634 4.639 -9.885) 12.288 8.895 ( -5.634 4.639 9.885) 12.288 9.234 ( 3.550 -6.262 -19.887) 21.149 9.234 ( 3.550 -6.262 19.887) 21.149 9.977 ( -5.737 -3.886 -5.734) 8.994 9.977 ( -5.737 -3.886 5.734) 8.994 10.233 ( 5.198 -2.940 -9.621) 11.324 10.233 ( 5.198 -2.940 9.621) 11.324 10.779 ( 3.406 8.435 -17.580) 19.794 10.779 ( 3.406 8.435 17.580) 19.794 11.418 ( -3.496 2.750 -11.737) 12.552 11.418 ( -3.496 2.750 11.737) 12.552 11.824 ( -8.214 -5.866 -2.004) 10.290 11.824 ( -8.214 -5.866 2.004) 10.290 12.559 ( -14.275 -9.964 -4.166) 17.900 12.559 ( -14.275 -9.964 4.166) 17.900 13.321 ( 4.573 0.659 -5.623) 7.278 13.321 ( 4.573 0.659 5.623) 7.278 13.606 ( -4.833 2.927 -7.579) 9.454 13.606 ( -4.833 2.927 7.579) 9.454 13.951 ( 7.629 14.398 -5.220) 17.110 13.951 ( 7.629 14.398 5.220) 17.110 14.222 ( -8.747 2.635 -10.161) 13.663 14.222 ( -8.747 2.635 10.161) 13.663 14.766 ( 11.061 -6.330 -12.570) 17.900 14.766 ( 11.061 -6.330 12.570) 17.900 15.633 ( 7.194 -1.239 -10.556) 12.834 15.633 ( 7.194 -1.239 10.556) 12.834 15.827 ( -7.437 13.154 -14.615) 21.022 15.827 ( -7.437 13.154 14.615) 21.022 17.012 ( 11.515 -4.375 -14.642) 19.134 17.012 ( 11.515 -4.375 14.642) 19.134 17.670 ( 14.916 6.862 -17.285) 23.840 17.670 ( 14.916 6.862 17.285) 23.840 18.256 ( 2.461 -16.311 -8.063) 18.361 18.256 ( 2.461 -16.311 8.063) 18.361 18.535 ( 1.466 -7.736 -7.395) 10.802 18.535 ( 1.466 -7.736 7.395) 10.802 19.200 ( 8.967 -12.202 -0.260) 15.145 19.200 ( 8.967 -12.202 0.260) 15.145 21.250 ( -15.184 10.468 -5.794) 19.332 21.250 ( -15.184 10.468 5.794) 19.332 21.436 ( -10.054 3.232 -3.418) 11.100 21.436 ( -10.054 3.232 3.418) 11.100 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -1.087 6.038 -6.468) 8.915 2.574 ( -1.087 6.038 6.468) 8.915 3.030 ( -1.332 -3.403 -3.630) 5.150 3.030 ( -1.332 -3.403 3.630) 5.150 3.293 ( -3.828 -1.774 -11.118) 11.892 3.293 ( -3.828 -1.774 11.118) 11.892 3.403 ( -5.717 -3.510 -5.129) 8.444 3.403 ( -5.717 -3.510 5.129) 8.444 3.814 ( 3.707 3.888 -1.577) 5.598 3.814 ( 3.707 3.888 1.577) 5.598 4.424 ( 4.668 -12.454 -1.360) 13.369 4.424 ( 4.668 -12.454 1.360) 13.369 7.923 ( 13.038 16.798 -7.077) 22.410 7.923 ( 13.038 16.798 7.077) 22.410 8.366 ( 6.595 12.110 -12.953) 18.919 8.366 ( 6.595 12.110 12.953) 18.919 8.758 ( -6.913 8.282 -5.080) 11.924 8.758 ( -6.913 8.282 5.080) 11.924 9.333 ( 4.686 -9.593 -13.841) 17.481 9.333 ( 4.686 -9.593 13.841) 17.481 9.839 ( -7.015 -13.409 -7.837) 17.042 9.839 ( -7.015 -13.409 7.837) 17.042 10.247 ( -1.938 -10.694 -6.180) 12.502 10.247 ( -1.938 -10.694 6.180) 12.502 10.936 ( 9.595 12.866 -6.814) 17.437 10.936 ( 9.595 12.866 6.814) 17.437 11.362 ( -2.508 10.416 -13.646) 17.349 11.362 ( -2.508 10.416 13.646) 17.349 11.671 ( -5.134 -7.319 -3.367) 9.553 11.671 ( -5.134 -7.319 3.367) 9.553 12.323 ( -8.316 -13.623 -3.850) 16.418 12.323 ( -8.316 -13.623 3.850) 16.418 13.387 ( 0.344 1.273 -5.721) 5.871 13.387 ( 0.344 1.273 5.721) 5.871 13.485 ( -4.609 4.163 -1.867) 6.485 13.485 ( -4.609 4.163 1.867) 6.485 13.978 ( -5.043 7.825 -7.776) 12.130 13.978 ( -5.043 7.825 7.776) 12.130 14.163 ( 3.754 15.486 -2.870) 16.191 14.163 ( 3.754 15.486 2.870) 16.191 15.043 ( 13.568 -9.633 -9.855) 19.339 15.043 ( 13.568 -9.633 9.855) 19.339 15.561 ( -7.879 21.499 -12.665) 26.166 15.561 ( -7.878 21.499 12.665) 26.166 15.885 ( 6.617 -15.670 -1.406) 17.068 15.885 ( 6.617 -15.670 1.406) 17.068 17.230 ( 8.892 -10.826 -10.108) 17.275 17.230 ( 8.892 -10.826 10.108) 17.275 17.974 ( 12.377 10.586 -15.655) 22.590 17.974 ( 12.377 10.586 15.655) 22.590 18.299 ( 2.602 -7.339 -7.235) 10.629 18.299 ( 2.602 -7.339 7.235) 10.629 18.565 ( 1.377 -10.616 -5.798) 12.174 18.565 ( 1.377 -10.616 5.798) 12.174 19.389 ( 8.175 -16.291 -1.544) 18.293 19.389 ( 8.175 -16.291 1.544) 18.293 20.922 ( -15.005 14.391 -4.236) 21.218 20.922 ( -15.005 14.391 4.236) 21.218 21.218 ( -9.991 2.987 -3.265) 10.927 21.218 ( -9.991 2.987 3.265) 10.927 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -0.114 8.273 -2.944) 8.782 2.563 ( -0.114 8.273 2.944) 8.782 2.996 ( -1.287 -3.465 -2.196) 4.299 2.996 ( -1.287 -3.465 2.196) 4.299 3.252 ( 0.230 -3.255 -7.164) 7.872 3.252 ( 0.230 -3.255 7.164) 7.872 3.301 ( -3.845 -3.306 -4.151) 6.553 3.301 ( -3.845 -3.306 4.151) 6.553 3.872 ( 1.591 6.090 -0.778) 6.343 3.872 ( 1.591 6.090 0.778) 6.343 4.500 ( 2.083 -15.733 -0.329) 15.874 4.500 ( 2.083 -15.733 0.329) 15.874 8.128 ( 5.723 27.305 -2.997) 28.059 8.128 ( 5.723 27.305 2.997) 28.059 8.454 ( 1.125 12.773 -14.362) 19.253 8.454 ( 1.125 12.773 14.362) 19.253 8.656 ( -1.662 6.763 -5.711) 9.006 8.656 ( -1.662 6.763 5.711) 9.006 9.388 ( 0.635 -13.967 -5.008) 14.851 9.388 ( 0.635 -13.967 5.008) 14.851 9.720 ( -3.323 -15.533 -5.471) 16.800 9.720 ( -3.323 -15.533 5.471) 16.800 10.224 ( -0.177 -16.565 -1.502) 16.634 10.224 ( -0.177 -16.565 1.502) 16.634 11.053 ( 0.961 13.317 -2.190) 13.530 11.053 ( 0.961 13.317 2.190) 13.530 11.361 ( 2.545 13.738 -10.040) 17.205 11.361 ( 2.545 13.738 10.040) 17.205 11.608 ( -1.714 -5.577 -3.264) 6.686 11.608 ( -1.714 -5.577 3.264) 6.686 12.207 ( -2.792 -14.618 -2.040) 15.022 12.207 ( -2.792 -14.618 2.040) 15.022 13.343 ( -1.895 2.546 -2.225) 3.876 13.343 ( -1.895 2.546 2.225) 3.876 13.442 ( -0.965 -1.409 -1.216) 2.096 13.442 ( -0.965 -1.409 1.216) 2.096 13.899 ( -1.784 10.305 -3.741) 11.107 13.899 ( -1.784 10.305 3.741) 11.107 14.233 ( 1.982 18.557 -1.984) 18.768 14.233 ( 1.982 18.557 1.984) 18.768 15.278 ( 8.372 -5.806 -5.285) 11.477 15.278 ( 8.372 -5.806 5.285) 11.477 15.418 ( -5.790 19.262 -6.868) 21.254 15.418 ( -5.790 19.262 6.868) 21.254 15.984 ( 2.487 -20.868 -0.307) 21.018 15.984 ( 2.487 -20.868 0.307) 21.018 17.361 ( 3.265 -16.692 -3.679) 17.402 17.361 ( 3.265 -16.692 3.679) 17.402 18.118 ( 2.072 19.222 -5.983) 20.238 18.118 ( 2.072 19.222 5.983) 20.238 18.408 ( 6.201 -10.913 -4.897) 13.474 18.408 ( 6.201 -10.913 4.897) 13.474 18.572 ( -1.095 -8.936 -1.505) 9.128 18.572 ( -1.095 -8.936 1.505) 9.128 19.511 ( 3.097 -19.079 -1.345) 19.376 19.511 ( 3.097 -19.079 1.345) 19.376 20.683 ( -6.606 18.080 -1.799) 19.332 20.683 ( -6.606 18.080 1.799) 19.332 21.059 ( -4.387 3.045 -1.462) 5.537 21.059 ( -4.387 3.045 1.462) 5.537 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 0.000 2.462 -2.187) 3.293 2.702 ( 0.000 2.462 2.187) 3.293 3.163 ( 0.000 -5.911 -4.227) 7.267 3.163 ( 0.000 -5.911 4.227) 7.267 3.296 ( 0.000 4.091 -5.698) 7.015 3.296 ( 0.000 4.091 5.698) 7.015 3.563 ( 0.000 6.739 -6.675) 9.486 3.563 ( 0.000 6.739 6.675) 9.486 3.711 ( 0.000 -7.061 -4.031) 8.130 3.711 ( 0.000 -7.061 4.031) 8.130 4.148 ( 0.000 -3.882 -3.242) 5.058 4.148 ( 0.000 -3.882 3.242) 5.058 7.300 ( 0.000 0.610 -2.846) 2.911 7.300 ( 0.000 0.610 2.846) 2.911 7.983 ( 0.000 2.210 -0.929) 2.397 7.983 ( 0.000 2.210 0.929) 2.397 8.985 ( 0.000 -1.071 -3.684) 3.836 8.985 ( 0.000 -1.071 3.684) 3.836 9.225 ( 0.000 0.198 -3.982) 3.987 9.225 ( 0.000 0.198 3.982) 3.987 9.972 ( 0.000 2.015 -2.717) 3.383 9.972 ( 0.000 2.015 2.717) 3.383 10.235 ( 0.000 1.952 -0.405) 1.993 10.235 ( 0.000 1.952 0.405) 1.993 11.019 ( 0.000 16.011 -10.041) 18.899 11.019 ( 0.000 16.011 10.041) 18.899 11.369 ( 0.000 -14.967 -18.382) 23.704 11.369 ( 0.000 -14.967 18.382) 23.704 11.984 ( 0.000 -0.784 -0.216) 0.813 11.984 ( 0.000 -0.784 0.216) 0.813 13.014 ( 0.000 -1.440 -1.103) 1.814 13.014 ( 0.000 -1.440 1.103) 1.814 13.083 ( 0.000 -7.330 -1.473) 7.477 13.083 ( 0.000 -7.330 1.473) 7.477 13.383 ( 0.000 0.481 -0.298) 0.566 13.383 ( 0.000 0.481 0.298) 0.566 13.956 ( 0.000 6.090 -2.897) 6.744 13.956 ( 0.000 6.090 2.897) 6.744 14.470 ( 0.000 -0.152 -1.011) 1.022 14.470 ( 0.000 -0.152 1.011) 1.022 14.829 ( 0.000 8.993 -1.593) 9.133 14.829 ( 0.000 8.993 1.593) 9.133 15.238 ( 0.000 -5.452 -4.312) 6.951 15.238 ( 0.000 -5.452 4.312) 6.951 16.371 ( 0.000 1.108 -5.449) 5.560 16.371 ( 0.000 1.108 5.449) 5.560 16.850 ( 0.000 18.308 -3.285) 18.600 16.850 ( 0.000 18.308 3.285) 18.600 17.370 ( 0.000 0.910 -16.765) 16.789 17.370 ( 0.000 0.910 16.765) 16.789 17.648 ( 0.000 -21.629 -11.757) 24.617 17.648 ( 0.000 -21.629 11.757) 24.617 18.333 ( 0.000 -3.931 -2.355) 4.583 18.333 ( 0.000 -3.931 2.355) 4.583 18.927 ( 0.000 -2.491 -0.298) 2.509 18.927 ( 0.000 -2.491 0.298) 2.509 21.702 ( 0.000 2.445 -2.397) 3.424 21.702 ( 0.000 2.445 2.397) 3.424 21.739 ( 0.000 1.869 -1.577) 2.446 21.739 ( 0.000 1.869 1.577) 2.446 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -0.228 2.623 -2.451) 3.597 2.701 ( -0.228 2.623 2.451) 3.597 3.107 ( -3.831 -0.826 -1.589) 4.229 3.107 ( -3.831 -0.826 1.589) 4.229 3.314 ( 0.728 -2.745 -3.377) 4.412 3.314 ( 0.728 -2.745 3.377) 4.412 3.558 ( -2.141 3.443 -3.876) 5.609 3.558 ( -2.141 3.443 3.876) 5.609 3.709 ( 1.222 -2.590 -1.644) 3.302 3.709 ( 1.222 -2.590 1.644) 3.302 4.163 ( 1.384 -3.694 -2.699) 4.780 4.163 ( 1.384 -3.694 2.699) 4.780 7.416 ( 10.862 1.089 -2.691) 11.243 7.416 ( 10.862 1.089 2.691) 11.243 8.111 ( 11.422 3.277 -1.092) 11.933 8.111 ( 11.422 3.277 1.092) 11.933 8.980 ( -0.320 0.050 -4.477) 4.489 8.980 ( -0.320 0.050 4.477) 4.489 9.179 ( -3.557 -1.247 -7.962) 8.809 9.179 ( -3.557 -1.247 7.962) 8.809 10.064 ( 6.233 2.373 -1.987) 6.959 10.064 ( 6.233 2.373 1.987) 6.959 10.162 ( -6.166 0.557 -2.270) 6.594 10.162 ( -6.166 0.557 2.270) 6.594 10.979 ( -3.198 12.317 -13.302) 18.409 10.979 ( -3.198 12.317 13.302) 18.409 11.344 ( -1.154 -11.614 -15.116) 19.097 11.344 ( -1.154 -11.614 15.116) 19.097 11.921 ( -5.447 -0.756 -0.268) 5.506 11.921 ( -5.447 -0.756 0.268) 5.506 12.797 ( -17.795 -3.072 -1.877) 18.155 12.797 ( -17.795 -3.072 1.877) 18.155 13.177 ( 9.204 -1.404 -1.733) 9.470 13.177 ( 9.204 -1.404 1.733) 9.470 13.492 ( 6.782 -3.110 -0.923) 7.518 13.492 ( 6.782 -3.110 0.923) 7.518 14.057 ( 7.779 7.580 -2.633) 11.176 14.057 ( 7.779 7.580 2.633) 11.176 14.362 ( -8.352 -1.630 -3.073) 9.047 14.362 ( -8.352 -1.630 3.073) 9.047 14.805 ( -1.471 10.424 -2.570) 10.836 14.805 ( -1.471 10.424 2.570) 10.836 15.301 ( 4.873 -8.531 -3.767) 10.522 15.301 ( 4.873 -8.531 3.767) 10.522 16.307 ( -5.353 6.707 -8.268) 11.917 16.307 ( -5.353 6.707 8.268) 11.917 16.878 ( 2.064 9.323 -7.560) 12.179 16.878 ( 2.064 9.323 7.560) 12.179 17.474 ( 9.471 0.092 -16.788) 19.275 17.474 ( 9.471 0.092 16.788) 19.275 17.737 ( 8.144 -16.648 -12.009) 22.084 17.737 ( 8.144 -16.648 12.009) 22.084 18.406 ( 6.337 -2.191 -3.399) 7.517 18.406 ( 6.337 -2.191 3.399) 7.517 18.930 ( 0.417 -3.951 -0.236) 3.980 18.930 ( 0.417 -3.951 0.236) 3.980 21.625 ( -7.280 3.333 -2.710) 8.453 21.625 ( -7.280 3.333 2.710) 8.453 21.662 ( -7.009 1.260 -0.656) 7.152 21.662 ( -7.009 1.260 0.656) 7.152 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -0.768 3.176 -2.892) 4.364 2.688 ( -0.768 3.176 2.892) 4.364 3.034 ( -3.058 -0.412 -1.000) 3.244 3.034 ( -3.058 -0.412 1.000) 3.244 3.321 ( -0.108 -2.588 -5.835) 6.384 3.321 ( -0.108 -2.588 5.835) 6.384 3.446 ( -7.418 -2.626 -3.745) 8.715 3.446 ( -7.418 -2.626 3.745) 8.715 3.778 ( 4.572 1.944 -1.470) 5.181 3.778 ( 4.572 1.944 1.470) 5.181 4.201 ( 2.024 -3.787 -1.615) 4.588 4.201 ( 2.024 -3.787 1.615) 4.588 7.729 ( 18.390 2.596 -2.173) 18.699 7.729 ( 18.390 2.596 2.173) 18.699 8.397 ( 14.040 7.092 -3.934) 16.214 8.397 ( 14.040 7.092 3.934) 16.214 8.979 ( 0.085 3.248 -8.800) 9.380 8.979 ( 0.085 3.248 8.800) 9.380 9.111 ( -2.061 -5.228 -15.503) 16.490 9.111 ( -2.061 -5.228 15.503) 16.490 9.941 ( -12.491 0.239 -0.679) 12.512 9.941 ( -12.491 0.239 0.679) 12.512 10.152 ( -2.664 -3.906 -4.881) 6.796 10.152 ( -2.664 -3.906 4.881) 6.796 10.980 ( 5.847 9.509 -11.994) 16.385 10.980 ( 5.847 9.509 11.994) 16.385 11.355 ( 2.108 -6.918 -11.118) 13.263 11.355 ( 2.108 -6.918 11.118) 13.263 11.784 ( -7.178 0.765 -1.130) 7.307 11.784 ( -7.178 0.765 1.130) 7.307 12.402 ( -18.313 -4.939 -1.769) 19.049 12.402 ( -18.313 -4.939 1.769) 19.049 13.363 ( 6.535 2.770 -2.126) 7.409 13.363 ( 6.535 2.770 2.126) 7.409 13.587 ( 1.131 -2.806 -2.405) 3.865 13.587 ( 1.131 -2.806 2.405) 3.865 14.144 ( -2.111 5.524 -4.705) 7.557 14.144 ( -2.111 5.524 4.705) 7.557 14.282 ( 4.394 -0.690 -3.234) 5.499 14.282 ( 4.394 -0.690 3.234) 5.499 14.822 ( 4.108 12.131 -5.364) 13.885 14.822 ( 4.108 12.131 5.364) 13.885 15.399 ( 4.051 -15.382 -1.005) 15.939 15.399 ( 4.051 -15.382 1.005) 15.939 16.184 ( -5.641 15.214 -9.140) 18.624 16.184 ( -5.641 15.214 9.140) 18.624 16.912 ( 0.772 -5.577 -8.434) 10.141 16.912 ( 0.772 -5.577 8.434) 10.141 17.730 ( 14.194 -1.329 -13.972) 19.961 17.730 ( 14.194 -1.329 13.972) 19.961 17.961 ( 12.545 -7.368 -10.096) 17.709 17.961 ( 12.545 -7.368 10.096) 17.709 18.553 ( 6.495 4.851 -4.020) 9.049 18.553 ( 6.495 4.851 4.020) 9.049 18.956 ( 2.368 -10.274 -0.838) 10.577 18.956 ( 2.368 -10.274 0.838) 10.577 21.412 ( -12.438 5.687 -2.495) 13.902 21.412 ( -12.438 5.687 2.495) 13.902 21.469 ( -10.863 -0.279 -1.220) 10.935 21.469 ( -10.863 -0.279 1.220) 10.935 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 1.031 4.313 -2.906) 5.303 2.687 ( 1.031 4.313 2.906) 5.303 2.978 ( -2.563 -1.821 -1.915) 3.681 2.978 ( -2.563 -1.821 1.915) 3.681 3.263 ( -5.741 -0.551 -10.135) 11.661 3.263 ( -5.741 -0.551 10.135) 11.661 3.324 ( -3.369 -3.615 -6.943) 8.522 3.324 ( -3.369 -3.615 6.943) 8.522 3.888 ( 5.895 2.872 -0.877) 6.616 3.888 ( 5.895 2.872 0.877) 6.616 4.234 ( 0.818 -5.870 -0.941) 6.001 4.234 ( 0.818 -5.870 0.941) 6.001 8.150 ( 21.132 5.729 -1.142) 21.924 8.150 ( 21.132 5.729 1.142) 21.924 8.628 ( 7.484 11.241 -9.984) 16.794 8.628 ( 7.484 11.241 9.984) 16.794 8.940 ( -4.064 8.528 -12.449) 15.628 8.940 ( -4.064 8.528 12.449) 15.628 9.149 ( 5.147 -8.586 -11.486) 15.236 9.149 ( 5.147 -8.586 11.486) 15.236 9.647 ( -14.498 -4.261 -0.479) 15.119 9.647 ( -14.498 -4.261 0.479) 15.119 9.995 ( -10.011 -11.591 -3.258) 15.658 9.995 ( -10.011 -11.591 3.258) 15.658 11.186 ( 10.373 11.130 -5.799) 16.282 11.186 ( 10.373 11.130 5.799) 16.282 11.416 ( 3.444 -5.804 -8.542) 10.886 11.416 ( 3.444 -5.804 8.542) 10.886 11.651 ( -4.453 5.264 -2.422) 7.308 11.651 ( -4.453 5.264 2.422) 7.308 12.085 ( -11.311 -8.946 -2.932) 14.716 12.085 ( -11.311 -8.946 2.932) 14.716 13.398 ( -2.505 0.530 -2.418) 3.522 13.398 ( -2.505 0.530 2.418) 3.522 13.541 ( -4.573 0.959 -2.186) 5.158 13.541 ( -4.573 0.959 2.186) 5.158 14.140 ( 2.255 8.970 -6.330) 11.208 14.140 ( 2.255 8.970 6.330) 11.208 14.397 ( 5.202 0.403 -6.141) 8.059 14.397 ( 5.202 0.403 6.141) 8.059 14.964 ( 8.026 9.942 -5.950) 14.095 14.964 ( 8.026 9.942 5.950) 14.095 15.465 ( 2.262 -21.896 -2.367) 22.140 15.465 ( 2.262 -21.896 2.367) 22.140 16.099 ( -2.012 24.595 -7.658) 25.838 16.099 ( -2.012 24.595 7.658) 25.838 16.898 ( -2.197 -20.042 -6.325) 21.131 16.898 ( -2.197 -20.042 6.325) 21.131 18.032 ( 14.010 -0.824 -8.576) 16.447 18.032 ( 14.010 -0.824 8.576) 16.447 18.224 ( 11.743 -1.788 -6.697) 13.636 18.224 ( 11.743 -1.788 6.697) 13.636 18.639 ( 1.542 14.871 -1.044) 14.988 18.639 ( 1.542 14.871 1.044) 14.988 19.028 ( 3.970 -19.326 -0.486) 19.736 19.028 ( 3.970 -19.326 0.486) 19.736 21.145 ( -12.019 8.106 -1.724) 14.599 21.145 ( -12.019 8.106 1.724) 14.599 21.238 ( -10.472 -1.482 -1.718) 10.715 21.238 ( -10.472 -1.482 1.718) 10.715 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 2.339 7.628 -1.690) 8.156 2.730 ( 2.339 7.628 1.690) 8.156 2.917 ( -2.882 -4.554 -1.235) 5.529 2.917 ( -2.882 -4.554 1.235) 5.529 3.193 ( 0.009 -2.010 -4.191) 4.648 3.193 ( 0.009 -2.010 4.191) 4.648 3.245 ( -3.963 -1.980 -2.639) 5.157 3.245 ( -3.963 -1.980 2.639) 5.157 4.002 ( 3.921 6.937 -0.612) 7.992 4.002 ( 3.921 6.937 0.612) 7.992 4.231 ( -0.788 -10.792 -0.501) 10.832 4.231 ( -0.788 -10.792 0.501) 10.832 8.567 ( 16.988 13.018 -1.542) 21.458 8.567 ( 16.988 13.018 1.542) 21.458 8.729 ( 2.027 11.095 -8.865) 14.345 8.729 ( 2.027 11.095 8.865) 14.345 8.844 ( -3.995 12.002 -3.587) 13.148 8.844 ( -3.995 12.002 3.587) 13.148 9.150 ( -7.940 -8.727 -2.501) 12.061 9.150 ( -7.940 -8.727 2.501) 12.061 9.472 ( 0.467 -5.957 -3.957) 7.167 9.472 ( 0.467 -5.957 3.957) 7.167 9.806 ( -6.576 -21.967 -2.004) 23.017 9.806 ( -6.576 -21.967 2.004) 23.017 11.299 ( 1.044 11.289 -1.360) 11.418 11.299 ( 1.044 11.289 1.360) 11.418 11.478 ( 1.492 -6.665 -3.759) 7.796 11.478 ( 1.492 -6.665 3.759) 7.796 11.640 ( 2.339 12.147 -0.810) 12.397 11.640 ( 2.339 12.147 0.810) 12.397 11.935 ( -3.443 -12.664 -3.042) 13.472 11.935 ( -3.443 -12.664 3.042) 13.472 13.353 ( -0.070 -0.171 -1.030) 1.047 13.353 ( -0.070 -0.171 1.030) 1.047 13.426 ( -5.363 -0.544 -0.601) 5.424 13.426 ( -5.363 -0.544 0.601) 5.424 14.193 ( 1.789 17.628 -2.988) 17.969 14.193 ( 1.789 17.628 2.988) 17.969 14.477 ( 2.115 -2.379 -3.137) 4.469 14.477 ( 2.115 -2.379 3.137) 4.469 15.093 ( 3.392 6.828 -2.767) 8.111 15.093 ( 3.392 6.828 2.767) 8.111 15.495 ( 0.691 -24.916 -1.722) 24.985 15.495 ( 0.691 -24.916 1.722) 24.985 16.098 ( 0.980 35.018 -3.378) 35.194 16.098 ( 0.980 35.018 3.378) 35.194 16.840 ( -2.309 -32.784 -2.581) 32.966 16.840 ( -2.309 -32.784 2.581) 32.966 18.276 ( 7.961 1.836 -3.805) 9.013 18.276 ( 7.961 1.836 3.805) 9.013 18.404 ( 4.348 -4.151 -6.182) 8.623 18.404 ( 4.348 -4.151 6.182) 8.623 18.633 ( -1.191 21.908 -3.038) 22.150 18.633 ( -1.191 21.908 3.038) 22.150 19.091 ( 1.626 -23.285 -0.944) 23.361 19.091 ( 1.626 -23.285 0.944) 23.361 20.957 ( -5.106 9.885 -0.688) 11.147 20.957 ( -5.106 9.885 0.688) 11.147 21.072 ( -4.506 -2.203 -0.856) 5.088 21.072 ( -4.506 -2.203 0.856) 5.088 =================== 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 3/37800 10.0 2936.268 3368.270 5322.147 0.000 0.000 -0.000 3/37800 20.0 1144.073 1378.383 1191.346 0.000 0.000 -0.000 3/37800 30.0 448.955 577.059 480.115 0.000 0.000 0.000 3/37800 40.0 286.552 372.959 303.461 0.000 0.000 0.000 3/37800 50.0 208.450 274.898 220.819 0.000 0.000 0.000 3/37800 60.0 156.075 208.470 166.098 0.000 0.000 0.000 3/37800 70.0 117.834 158.986 126.092 0.000 0.000 0.000 3/37800 80.0 90.032 122.264 96.848 0.000 0.000 0.000 3/37800 90.0 70.064 95.413 75.717 0.000 0.000 0.000 3/37800 100.0 55.728 75.859 60.458 0.000 0.000 0.000 3/37800 110.0 45.330 61.530 49.331 0.000 0.000 0.000 3/37800 120.0 37.665 50.897 41.091 0.000 0.000 0.000 3/37800 130.0 31.908 42.883 34.875 0.000 0.000 0.000 3/37800 140.0 27.500 36.740 30.098 0.000 0.000 0.000 3/37800 150.0 24.061 31.953 26.360 0.000 0.000 0.000 3/37800 160.0 21.330 28.160 23.383 0.000 0.000 0.000 3/37800 170.0 19.126 25.110 20.975 0.000 0.000 0.000 3/37800 180.0 17.320 22.620 18.998 0.000 0.000 0.000 3/37800 190.0 15.820 20.561 17.354 0.000 0.000 0.000 3/37800 200.0 14.557 18.837 15.969 0.000 0.000 0.000 3/37800 210.0 13.483 17.378 14.789 0.000 0.000 0.000 3/37800 220.0 12.560 16.129 13.774 0.000 0.000 0.000 3/37800 230.0 11.759 15.050 12.892 0.000 0.000 0.000 3/37800 240.0 11.057 14.110 12.120 0.000 0.000 0.000 3/37800 250.0 10.438 13.284 11.439 0.000 0.000 0.000 3/37800 260.0 9.888 12.554 10.834 0.000 0.000 0.000 3/37800 270.0 9.396 11.903 10.292 0.000 0.000 0.000 3/37800 280.0 8.953 11.320 9.805 0.000 0.000 0.000 3/37800 290.0 8.553 10.794 9.365 0.000 0.000 0.000 3/37800 300.0 8.189 10.318 8.964 0.000 0.000 0.000 3/37800 310.0 7.856 9.884 8.598 0.000 0.000 0.000 3/37800 320.0 7.552 9.488 8.263 0.000 0.000 0.000 3/37800 330.0 7.271 9.124 7.955 0.000 0.000 0.000 3/37800 340.0 7.012 8.789 7.669 0.000 0.000 0.000 3/37800 350.0 6.771 8.479 7.405 0.000 0.000 0.000 3/37800 360.0 6.548 8.192 7.160 0.000 0.000 0.000 3/37800 370.0 6.340 7.924 6.931 0.000 0.000 0.000 3/37800 380.0 6.145 7.675 6.717 0.000 0.000 0.000 3/37800 390.0 5.963 7.442 6.517 0.000 0.000 0.000 3/37800 400.0 5.791 7.223 6.329 0.000 0.000 0.000 3/37800 410.0 5.630 7.018 6.152 0.000 0.000 0.000 3/37800 420.0 5.478 6.824 5.985 0.000 0.000 0.000 3/37800 430.0 5.335 6.642 5.828 0.000 0.000 0.000 3/37800 440.0 5.199 6.469 5.678 0.000 0.000 0.000 3/37800 450.0 5.070 6.306 5.537 0.000 0.000 0.000 3/37800 460.0 4.948 6.151 5.403 0.000 0.000 0.000 3/37800 470.0 4.831 6.004 5.276 0.000 0.000 0.000 3/37800 480.0 4.721 5.865 5.154 0.000 0.000 0.000 3/37800 490.0 4.615 5.731 5.039 0.000 0.000 0.000 3/37800 500.0 4.514 5.605 4.928 0.000 0.000 0.000 3/37800 510.0 4.418 5.483 4.823 0.000 0.000 0.000 3/37800 520.0 4.326 5.367 4.722 0.000 0.000 0.000 3/37800 530.0 4.238 5.257 4.625 0.000 0.000 0.000 3/37800 540.0 4.153 5.150 4.533 0.000 0.000 0.000 3/37800 550.0 4.072 5.049 4.444 0.000 0.000 0.000 3/37800 560.0 3.994 4.951 4.359 0.000 0.000 0.000 3/37800 570.0 3.919 4.857 4.277 0.000 0.000 0.000 3/37800 580.0 3.847 4.767 4.198 0.000 0.000 0.000 3/37800 590.0 3.778 4.680 4.122 0.000 0.000 0.000 3/37800 600.0 3.711 4.596 4.049 0.000 0.000 0.000 3/37800 610.0 3.647 4.516 3.979 0.000 0.000 0.000 3/37800 620.0 3.585 4.438 3.911 0.000 0.000 0.000 3/37800 630.0 3.525 4.363 3.845 0.000 0.000 0.000 3/37800 640.0 3.467 4.291 3.781 0.000 0.000 0.000 3/37800 650.0 3.410 4.221 3.720 0.000 0.000 0.000 3/37800 660.0 3.356 4.153 3.661 0.000 0.000 0.000 3/37800 670.0 3.304 4.088 3.603 0.000 0.000 0.000 3/37800 680.0 3.253 4.024 3.548 0.000 0.000 0.000 3/37800 690.0 3.204 3.963 3.494 0.000 0.000 0.000 3/37800 700.0 3.156 3.903 3.442 0.000 0.000 0.000 3/37800 710.0 3.109 3.845 3.391 0.000 0.000 0.000 3/37800 720.0 3.064 3.789 3.342 0.000 0.000 0.000 3/37800 730.0 3.021 3.735 3.294 0.000 0.000 0.000 3/37800 740.0 2.978 3.682 3.248 0.000 0.000 0.000 3/37800 750.0 2.937 3.631 3.203 0.000 0.000 0.000 3/37800 760.0 2.897 3.581 3.159 0.000 0.000 0.000 3/37800 770.0 2.858 3.533 3.117 0.000 0.000 0.000 3/37800 780.0 2.820 3.486 3.075 0.000 0.000 0.000 3/37800 790.0 2.783 3.440 3.035 0.000 0.000 0.000 3/37800 800.0 2.747 3.395 2.996 0.000 0.000 0.000 3/37800 810.0 2.712 3.352 2.957 0.000 0.000 0.000 3/37800 820.0 2.678 3.309 2.920 0.000 0.000 0.000 3/37800 830.0 2.645 3.268 2.884 0.000 0.000 0.000 3/37800 840.0 2.613 3.228 2.849 0.000 0.000 0.000 3/37800 850.0 2.581 3.188 2.814 0.000 0.000 0.000 3/37800 860.0 2.550 3.150 2.780 0.000 0.000 0.000 3/37800 870.0 2.520 3.113 2.747 0.000 0.000 0.000 3/37800 880.0 2.491 3.076 2.715 0.000 0.000 0.000 3/37800 890.0 2.462 3.041 2.684 0.000 0.000 0.000 3/37800 900.0 2.434 3.006 2.653 0.000 0.000 0.000 3/37800 910.0 2.406 2.972 2.623 0.000 0.000 0.000 3/37800 920.0 2.380 2.939 2.594 0.000 0.000 0.000 3/37800 930.0 2.353 2.906 2.566 0.000 0.000 0.000 3/37800 940.0 2.328 2.874 2.538 0.000 0.000 0.000 3/37800 950.0 2.303 2.843 2.510 0.000 0.000 0.000 3/37800 960.0 2.278 2.813 2.484 0.000 0.000 0.000 3/37800 970.0 2.254 2.783 2.457 0.000 0.000 0.000 3/37800 980.0 2.231 2.754 2.432 0.000 0.000 0.000 3/37800 990.0 2.208 2.726 2.407 0.000 0.000 0.000 3/37800 1000.0 2.185 2.698 2.382 0.000 0.000 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:00:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|