----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:07:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.746669695000000 -2.751298175000000 0.000000000000000 b 4.746669695000000 2.751298175000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.881991860000000 Atomic positions (fractional): *1 N 0.22720054156718 0.77279945843283 0.96832125785529 14.007 2 N 0.77279945843283 0.22720054156717 0.46832125785529 14.007 *3 N 0.90642410254766 0.65538278921423 0.35978294998283 14.007 4 N 0.34461721078577 0.09357589745234 0.35978294998283 14.007 5 N 0.65538278921423 0.90642410254766 0.85978294998283 14.007 6 N 0.09357589745234 0.34461721078577 0.85978294998283 14.007 *7 Na 0.33630857508671 0.66369142491329 0.48545324817512 22.990 8 Na 0.66369142491329 0.33630857508671 0.98545324817512 22.990 *9 Si 0.32442606226679 0.01684040170566 0.01182979200196 28.085 10 Si 0.67557393773321 0.98315959829434 0.51182979200196 28.085 11 Si 0.01684040170566 0.32442606226679 0.51182979200196 28.085 12 Si 0.98315959829434 0.67557393773321 0.01182979200196 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.493339389999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.502596350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.881991860000000 Atomic positions (fractional): *1 N 0.50000000000000 0.27279945843282 0.96832125785529 14.007 > 1 2 N 0.50000000000000 0.72720054156717 0.46832125785529 14.007 > 2 *3 N 0.78090344588095 0.87447934333328 0.35978294998283 14.007 > 3 4 N 0.21909655411905 0.87447934333328 0.35978294998283 14.007 > 4 5 N 0.78090344588095 0.12552065666672 0.85978294998283 14.007 > 5 6 N 0.21909655411905 0.12552065666672 0.85978294998283 14.007 > 6 7 N 0.00000000000000 0.77279945843283 0.96832125785529 14.007 > 1 8 N 0.00000000000000 0.22720054156718 0.46832125785529 14.007 > 2 9 N 0.28090344588095 0.37447934333328 0.35978294998283 14.007 > 3 10 N 0.71909655411905 0.37447934333328 0.35978294998283 14.007 > 4 11 N 0.28090344588095 0.62552065666672 0.85978294998283 14.007 > 5 12 N 0.71909655411905 0.62552065666672 0.85978294998283 14.007 > 6 *13 Na 0.50000000000000 0.16369142491329 0.48545324817512 22.990 > 7 14 Na 0.50000000000000 0.83630857508671 0.98545324817512 22.990 > 8 15 Na 0.00000000000000 0.66369142491329 0.48545324817512 22.990 > 7 16 Na 0.00000000000000 0.33630857508671 0.98545324817512 22.990 > 8 *17 Si 0.17063323198622 0.84620716971943 0.01182979200196 28.085 > 9 18 Si 0.82936676801378 0.15379283028057 0.51182979200196 28.085 > 10 19 Si 0.17063323198622 0.15379283028057 0.51182979200196 28.085 > 11 20 Si 0.82936676801378 0.84620716971943 0.01182979200196 28.085 > 12 21 Si 0.67063323198622 0.34620716971943 0.01182979200196 28.085 > 9 22 Si 0.32936676801378 0.65379283028057 0.51182979200196 28.085 > 10 23 Si 0.67063323198622 0.65379283028057 0.51182979200196 28.085 > 11 24 Si 0.32936676801378 0.34620716971943 0.01182979200196 28.085 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.493339389999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.005192700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.763983720000001 Atomic positions (fractional): *1 N 0.50000000000000 0.13639972921641 0.48416062892764 14.007 > 1 2 N 0.50000000000000 0.63639972921641 0.48416062892764 14.007 > 1 3 N 0.50000000000000 0.13639972921641 0.98416062892764 14.007 > 1 4 N 0.50000000000000 0.63639972921641 0.98416062892764 14.007 > 1 5 N 0.50000000000000 0.36360027078359 0.23416062892764 14.007 > 2 6 N 0.50000000000000 0.86360027078359 0.23416062892764 14.007 > 2 7 N 0.50000000000000 0.36360027078359 0.73416062892764 14.007 > 2 8 N 0.50000000000000 0.86360027078359 0.73416062892764 14.007 > 2 *9 N 0.78090344588095 0.43723967166664 0.17989147499142 14.007 > 3 10 N 0.78090344588095 0.93723967166664 0.17989147499142 14.007 > 3 11 N 0.78090344588095 0.43723967166664 0.67989147499142 14.007 > 3 12 N 0.78090344588095 0.93723967166664 0.67989147499142 14.007 > 3 13 N 0.21909655411905 0.43723967166664 0.17989147499142 14.007 > 4 14 N 0.21909655411905 0.93723967166664 0.17989147499142 14.007 > 4 15 N 0.21909655411905 0.43723967166664 0.67989147499142 14.007 > 4 16 N 0.21909655411905 0.93723967166664 0.67989147499142 14.007 > 4 17 N 0.78090344588095 0.06276032833336 0.42989147499142 14.007 > 5 18 N 0.78090344588095 0.56276032833336 0.42989147499142 14.007 > 5 19 N 0.78090344588095 0.06276032833336 0.92989147499142 14.007 > 5 20 N 0.78090344588095 0.56276032833336 0.92989147499142 14.007 > 5 21 N 0.21909655411905 0.06276032833336 0.42989147499142 14.007 > 6 22 N 0.21909655411905 0.56276032833336 0.42989147499142 14.007 > 6 23 N 0.21909655411905 0.06276032833336 0.92989147499142 14.007 > 6 24 N 0.21909655411905 0.56276032833336 0.92989147499142 14.007 > 6 25 N 0.00000000000000 0.38639972921641 0.48416062892764 14.007 > 1 26 N 0.00000000000000 0.88639972921641 0.48416062892764 14.007 > 1 27 N 0.00000000000000 0.38639972921641 0.98416062892764 14.007 > 1 28 N 0.00000000000000 0.88639972921641 0.98416062892764 14.007 > 1 29 N 0.00000000000000 0.11360027078359 0.23416062892764 14.007 > 2 30 N 0.00000000000000 0.61360027078359 0.23416062892764 14.007 > 2 31 N 0.00000000000000 0.11360027078359 0.73416062892764 14.007 > 2 32 N 0.00000000000000 0.61360027078359 0.73416062892764 14.007 > 2 33 N 0.28090344588095 0.18723967166664 0.17989147499142 14.007 > 3 34 N 0.28090344588095 0.68723967166664 0.17989147499142 14.007 > 3 35 N 0.28090344588095 0.18723967166664 0.67989147499142 14.007 > 3 36 N 0.28090344588095 0.68723967166664 0.67989147499142 14.007 > 3 37 N 0.71909655411905 0.18723967166664 0.17989147499142 14.007 > 4 38 N 0.71909655411905 0.68723967166664 0.17989147499142 14.007 > 4 39 N 0.71909655411905 0.18723967166664 0.67989147499142 14.007 > 4 40 N 0.71909655411905 0.68723967166664 0.67989147499142 14.007 > 4 41 N 0.28090344588095 0.31276032833336 0.42989147499142 14.007 > 5 42 N 0.28090344588095 0.81276032833336 0.42989147499142 14.007 > 5 43 N 0.28090344588095 0.31276032833336 0.92989147499142 14.007 > 5 44 N 0.28090344588095 0.81276032833336 0.92989147499142 14.007 > 5 45 N 0.71909655411905 0.31276032833336 0.42989147499142 14.007 > 6 46 N 0.71909655411905 0.81276032833336 0.42989147499142 14.007 > 6 47 N 0.71909655411905 0.31276032833336 0.92989147499142 14.007 > 6 48 N 0.71909655411905 0.81276032833336 0.92989147499142 14.007 > 6 *49 Na 0.50000000000000 0.08184571245665 0.24272662408756 22.990 > 7 50 Na 0.50000000000000 0.58184571245665 0.24272662408756 22.990 > 7 51 Na 0.50000000000000 0.08184571245665 0.74272662408756 22.990 > 7 52 Na 0.50000000000000 0.58184571245665 0.74272662408756 22.990 > 7 53 Na 0.50000000000000 0.41815428754335 0.49272662408756 22.990 > 8 54 Na 0.50000000000000 0.91815428754335 0.49272662408756 22.990 > 8 55 Na 0.50000000000000 0.41815428754335 0.99272662408756 22.990 > 8 56 Na 0.50000000000000 0.91815428754335 0.99272662408756 22.990 > 8 57 Na 0.00000000000000 0.33184571245665 0.24272662408756 22.990 > 7 58 Na 0.00000000000000 0.83184571245665 0.24272662408756 22.990 > 7 59 Na 0.00000000000000 0.33184571245665 0.74272662408756 22.990 > 7 60 Na 0.00000000000000 0.83184571245665 0.74272662408756 22.990 > 7 61 Na 0.00000000000000 0.16815428754335 0.49272662408756 22.990 > 8 62 Na 0.00000000000000 0.66815428754335 0.49272662408756 22.990 > 8 63 Na 0.00000000000000 0.16815428754335 0.99272662408756 22.990 > 8 64 Na 0.00000000000000 0.66815428754335 0.99272662408756 22.990 > 8 *65 Si 0.17063323198622 0.42310358485972 0.00591489600098 28.085 > 9 66 Si 0.17063323198622 0.92310358485972 0.00591489600098 28.085 > 9 67 Si 0.17063323198622 0.42310358485972 0.50591489600098 28.085 > 9 68 Si 0.17063323198622 0.92310358485972 0.50591489600098 28.085 > 9 69 Si 0.82936676801378 0.07689641514028 0.25591489600098 28.085 > 10 70 Si 0.82936676801378 0.57689641514028 0.25591489600098 28.085 > 10 71 Si 0.82936676801378 0.07689641514028 0.75591489600098 28.085 > 10 72 Si 0.82936676801378 0.57689641514028 0.75591489600098 28.085 > 10 73 Si 0.17063323198622 0.07689641514028 0.25591489600098 28.085 > 11 74 Si 0.17063323198622 0.57689641514028 0.25591489600098 28.085 > 11 75 Si 0.17063323198622 0.07689641514028 0.75591489600098 28.085 > 11 76 Si 0.17063323198622 0.57689641514028 0.75591489600098 28.085 > 11 77 Si 0.82936676801378 0.42310358485972 0.00591489600098 28.085 > 12 78 Si 0.82936676801378 0.92310358485972 0.00591489600098 28.085 > 12 79 Si 0.82936676801378 0.42310358485972 0.50591489600098 28.085 > 12 80 Si 0.82936676801378 0.92310358485972 0.50591489600098 28.085 > 12 81 Si 0.67063323198622 0.17310358485972 0.00591489600098 28.085 > 9 82 Si 0.67063323198622 0.67310358485972 0.00591489600098 28.085 > 9 83 Si 0.67063323198622 0.17310358485972 0.50591489600098 28.085 > 9 84 Si 0.67063323198622 0.67310358485972 0.50591489600098 28.085 > 9 85 Si 0.32936676801378 0.32689641514028 0.25591489600098 28.085 > 10 86 Si 0.32936676801378 0.82689641514028 0.25591489600098 28.085 > 10 87 Si 0.32936676801378 0.32689641514028 0.75591489600098 28.085 > 10 88 Si 0.32936676801378 0.82689641514028 0.75591489600098 28.085 > 10 89 Si 0.67063323198622 0.32689641514028 0.25591489600098 28.085 > 11 90 Si 0.67063323198622 0.82689641514028 0.25591489600098 28.085 > 11 91 Si 0.67063323198622 0.32689641514028 0.75591489600098 28.085 > 11 92 Si 0.67063323198622 0.82689641514028 0.75591489600098 28.085 > 11 93 Si 0.32936676801378 0.17310358485972 0.00591489600098 28.085 > 12 94 Si 0.32936676801378 0.67310358485972 0.00591489600098 28.085 > 12 95 Si 0.32936676801378 0.17310358485972 0.50591489600098 28.085 > 12 96 Si 0.32936676801378 0.67310358485972 0.50591489600098 28.085 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3819866 0.0000000 0.0000000 0.0000000 4.0497799 0.0000000 0.0000000 0.0000000 4.1754846 -------------------------- Born effective charges -------------------------- 1 N -3.8799780 0.0000000 0.0000000 0.0000000 -1.8021007 -0.0526122 0.0000000 -0.0271285 -1.7799599 2 N -3.8799780 0.0000000 0.0000000 0.0000000 -1.8021007 0.0526122 0.0000000 0.0271285 -1.7799599 3 N -2.1923303 -0.5970098 0.4115774 -0.6424699 -2.7156336 -0.0959688 0.2930843 -0.1695364 -2.8181966 4 N -2.1923303 0.5970098 -0.4115774 0.6424699 -2.7156336 -0.0959688 -0.2930843 -0.1695364 -2.8181966 5 N -2.1923303 0.5970098 0.4115774 0.6424699 -2.7156336 0.0959688 0.2930843 0.1695364 -2.8181966 6 N -2.1923303 -0.5970098 -0.4115774 -0.6424699 -2.7156336 0.0959688 -0.2930843 0.1695364 -2.8181966 7 Na 1.0651457 0.0000000 0.0000000 0.0000000 1.0723397 -0.0390141 0.0000000 -0.0181953 1.0072811 8 Na 1.0651457 0.0000000 0.0000000 0.0000000 1.0723397 0.0390141 0.0000000 0.0181953 1.0072811 9 Si 3.5997465 0.0639612 -0.0006730 -0.2705261 3.0805141 0.0943063 -0.1204915 0.0528611 3.2045360 10 Si 3.5997465 0.0639612 0.0006730 -0.2705261 3.0805141 -0.0943063 0.1204915 -0.0528611 3.2045360 11 Si 3.5997465 -0.0639612 -0.0006730 0.2705261 3.0805141 -0.0943063 -0.1204915 -0.0528611 3.2045360 12 Si 3.5997465 -0.0639612 0.0006730 0.2705261 3.0805141 0.0943063 0.1204915 0.0528611 3.2045360 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1348 Number of blocks in projector: 1348 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.472 Solver_block: 200 / 400 - Time: 1.461 Solver_block: 300 / 400 - Time: 1.460 Solver_block: 400 / 400 - Time: 1.460 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.884 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1348 Number of blocks in projector: 1348 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:08:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:08:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.746669695000000 -2.751298175000000 0.000000000000000 b 4.746669695000000 2.751298175000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.881991860000000 Atomic positions (fractional): 1 N 0.22720054156718 0.77279945843283 0.96832125785529 14.007 2 N 0.77279945843283 0.22720054156717 0.46832125785529 14.007 3 N 0.90642410254766 0.65538278921423 0.35978294998283 14.007 4 N 0.34461721078577 0.09357589745234 0.35978294998283 14.007 5 N 0.65538278921423 0.90642410254766 0.85978294998283 14.007 6 N 0.09357589745234 0.34461721078577 0.85978294998283 14.007 7 Na 0.33630857508671 0.66369142491329 0.48545324817512 22.990 8 Na 0.66369142491329 0.33630857508671 0.98545324817512 22.990 9 Si 0.32442606226679 0.01684040170566 0.01182979200196 28.085 10 Si 0.67557393773321 0.98315959829434 0.51182979200196 28.085 11 Si 0.01684040170566 0.32442606226679 0.51182979200196 28.085 12 Si 0.98315959829434 0.67557393773321 0.01182979200196 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.493339389999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.005192700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.763983720000001 Atomic positions (fractional): 1 N 0.50000000000000 0.13639972921641 0.48416062892764 14.007 > 1 2 N 0.50000000000000 0.63639972921641 0.48416062892764 14.007 > 1 3 N 0.50000000000000 0.13639972921641 0.98416062892764 14.007 > 1 4 N 0.50000000000000 0.63639972921641 0.98416062892764 14.007 > 1 5 N 0.50000000000000 0.36360027078359 0.23416062892764 14.007 > 5 6 N 0.50000000000000 0.86360027078359 0.23416062892764 14.007 > 5 7 N 0.50000000000000 0.36360027078359 0.73416062892764 14.007 > 5 8 N 0.50000000000000 0.86360027078359 0.73416062892764 14.007 > 5 9 N 0.78090344588095 0.43723967166664 0.17989147499142 14.007 > 9 10 N 0.78090344588095 0.93723967166664 0.17989147499142 14.007 > 9 11 N 0.78090344588095 0.43723967166664 0.67989147499142 14.007 > 9 12 N 0.78090344588095 0.93723967166664 0.67989147499142 14.007 > 9 13 N 0.21909655411905 0.43723967166664 0.17989147499142 14.007 > 13 14 N 0.21909655411905 0.93723967166664 0.17989147499142 14.007 > 13 15 N 0.21909655411905 0.43723967166664 0.67989147499142 14.007 > 13 16 N 0.21909655411905 0.93723967166664 0.67989147499142 14.007 > 13 17 N 0.78090344588095 0.06276032833336 0.42989147499142 14.007 > 17 18 N 0.78090344588095 0.56276032833336 0.42989147499142 14.007 > 17 19 N 0.78090344588095 0.06276032833336 0.92989147499142 14.007 > 17 20 N 0.78090344588095 0.56276032833336 0.92989147499142 14.007 > 17 21 N 0.21909655411905 0.06276032833336 0.42989147499142 14.007 > 21 22 N 0.21909655411905 0.56276032833336 0.42989147499142 14.007 > 21 23 N 0.21909655411905 0.06276032833336 0.92989147499142 14.007 > 21 24 N 0.21909655411905 0.56276032833336 0.92989147499142 14.007 > 21 25 N 0.00000000000000 0.38639972921641 0.48416062892764 14.007 > 1 26 N 0.00000000000000 0.88639972921641 0.48416062892764 14.007 > 1 27 N 0.00000000000000 0.38639972921641 0.98416062892764 14.007 > 1 28 N 0.00000000000000 0.88639972921641 0.98416062892764 14.007 > 1 29 N 0.00000000000000 0.11360027078359 0.23416062892764 14.007 > 5 30 N 0.00000000000000 0.61360027078359 0.23416062892764 14.007 > 5 31 N 0.00000000000000 0.11360027078359 0.73416062892764 14.007 > 5 32 N 0.00000000000000 0.61360027078359 0.73416062892764 14.007 > 5 33 N 0.28090344588095 0.18723967166664 0.17989147499142 14.007 > 9 34 N 0.28090344588095 0.68723967166664 0.17989147499142 14.007 > 9 35 N 0.28090344588095 0.18723967166664 0.67989147499142 14.007 > 9 36 N 0.28090344588095 0.68723967166664 0.67989147499142 14.007 > 9 37 N 0.71909655411905 0.18723967166664 0.17989147499142 14.007 > 13 38 N 0.71909655411905 0.68723967166664 0.17989147499142 14.007 > 13 39 N 0.71909655411905 0.18723967166664 0.67989147499142 14.007 > 13 40 N 0.71909655411905 0.68723967166664 0.67989147499142 14.007 > 13 41 N 0.28090344588095 0.31276032833336 0.42989147499142 14.007 > 17 42 N 0.28090344588095 0.81276032833336 0.42989147499142 14.007 > 17 43 N 0.28090344588095 0.31276032833336 0.92989147499142 14.007 > 17 44 N 0.28090344588095 0.81276032833336 0.92989147499142 14.007 > 17 45 N 0.71909655411905 0.31276032833336 0.42989147499142 14.007 > 21 46 N 0.71909655411905 0.81276032833336 0.42989147499142 14.007 > 21 47 N 0.71909655411905 0.31276032833336 0.92989147499142 14.007 > 21 48 N 0.71909655411905 0.81276032833336 0.92989147499142 14.007 > 21 49 Na 0.50000000000000 0.08184571245665 0.24272662408756 22.990 > 49 50 Na 0.50000000000000 0.58184571245665 0.24272662408756 22.990 > 49 51 Na 0.50000000000000 0.08184571245665 0.74272662408756 22.990 > 49 52 Na 0.50000000000000 0.58184571245665 0.74272662408756 22.990 > 49 53 Na 0.50000000000000 0.41815428754335 0.49272662408756 22.990 > 53 54 Na 0.50000000000000 0.91815428754335 0.49272662408756 22.990 > 53 55 Na 0.50000000000000 0.41815428754335 0.99272662408756 22.990 > 53 56 Na 0.50000000000000 0.91815428754335 0.99272662408756 22.990 > 53 57 Na 0.00000000000000 0.33184571245665 0.24272662408756 22.990 > 49 58 Na 0.00000000000000 0.83184571245665 0.24272662408756 22.990 > 49 59 Na 0.00000000000000 0.33184571245665 0.74272662408756 22.990 > 49 60 Na 0.00000000000000 0.83184571245665 0.74272662408756 22.990 > 49 61 Na 0.00000000000000 0.16815428754335 0.49272662408756 22.990 > 53 62 Na 0.00000000000000 0.66815428754335 0.49272662408756 22.990 > 53 63 Na 0.00000000000000 0.16815428754335 0.99272662408756 22.990 > 53 64 Na 0.00000000000000 0.66815428754335 0.99272662408756 22.990 > 53 65 Si 0.17063323198622 0.42310358485972 0.00591489600098 28.085 > 65 66 Si 0.17063323198622 0.92310358485972 0.00591489600098 28.085 > 65 67 Si 0.17063323198622 0.42310358485972 0.50591489600098 28.085 > 65 68 Si 0.17063323198622 0.92310358485972 0.50591489600098 28.085 > 65 69 Si 0.82936676801378 0.07689641514028 0.25591489600098 28.085 > 69 70 Si 0.82936676801378 0.57689641514028 0.25591489600098 28.085 > 69 71 Si 0.82936676801378 0.07689641514028 0.75591489600098 28.085 > 69 72 Si 0.82936676801378 0.57689641514028 0.75591489600098 28.085 > 69 73 Si 0.17063323198622 0.07689641514028 0.25591489600098 28.085 > 73 74 Si 0.17063323198622 0.57689641514028 0.25591489600098 28.085 > 73 75 Si 0.17063323198622 0.07689641514028 0.75591489600098 28.085 > 73 76 Si 0.17063323198622 0.57689641514028 0.75591489600098 28.085 > 73 77 Si 0.82936676801378 0.42310358485972 0.00591489600098 28.085 > 77 78 Si 0.82936676801378 0.92310358485972 0.00591489600098 28.085 > 77 79 Si 0.82936676801378 0.42310358485972 0.50591489600098 28.085 > 77 80 Si 0.82936676801378 0.92310358485972 0.50591489600098 28.085 > 77 81 Si 0.67063323198622 0.17310358485972 0.00591489600098 28.085 > 65 82 Si 0.67063323198622 0.67310358485972 0.00591489600098 28.085 > 65 83 Si 0.67063323198622 0.17310358485972 0.50591489600098 28.085 > 65 84 Si 0.67063323198622 0.67310358485972 0.50591489600098 28.085 > 65 85 Si 0.32936676801378 0.32689641514028 0.25591489600098 28.085 > 69 86 Si 0.32936676801378 0.82689641514028 0.25591489600098 28.085 > 69 87 Si 0.32936676801378 0.32689641514028 0.75591489600098 28.085 > 69 88 Si 0.32936676801378 0.82689641514028 0.75591489600098 28.085 > 69 89 Si 0.67063323198622 0.32689641514028 0.25591489600098 28.085 > 73 90 Si 0.67063323198622 0.82689641514028 0.25591489600098 28.085 > 73 91 Si 0.67063323198622 0.32689641514028 0.75591489600098 28.085 > 73 92 Si 0.67063323198622 0.82689641514028 0.75591489600098 28.085 > 73 93 Si 0.32936676801378 0.17310358485972 0.00591489600098 28.085 > 77 94 Si 0.32936676801378 0.67310358485972 0.00591489600098 28.085 > 77 95 Si 0.32936676801378 0.17310358485972 0.50591489600098 28.085 > 77 96 Si 0.32936676801378 0.67310358485972 0.50591489600098 28.085 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3819866 0.0000000 0.0000000 0.0000000 4.0497799 0.0000000 0.0000000 0.0000000 4.1754846 -------------------------- Born effective charges -------------------------- 1 N -3.8799780 0.0000000 0.0000000 0.0000000 -1.8021007 -0.0526122 0.0000000 -0.0271285 -1.7799599 2 N -3.8799780 0.0000000 0.0000000 0.0000000 -1.8021007 0.0526122 0.0000000 0.0271285 -1.7799599 3 N -2.1923303 -0.5970098 0.4115774 -0.6424699 -2.7156336 -0.0959688 0.2930843 -0.1695364 -2.8181966 4 N -2.1923303 0.5970098 -0.4115774 0.6424699 -2.7156336 -0.0959688 -0.2930843 -0.1695364 -2.8181966 5 N -2.1923303 0.5970098 0.4115774 0.6424699 -2.7156336 0.0959688 0.2930843 0.1695364 -2.8181966 6 N -2.1923303 -0.5970098 -0.4115774 -0.6424699 -2.7156336 0.0959688 -0.2930843 0.1695364 -2.8181966 7 Na 1.0651457 0.0000000 0.0000000 0.0000000 1.0723397 -0.0390141 0.0000000 -0.0181953 1.0072811 8 Na 1.0651457 0.0000000 0.0000000 0.0000000 1.0723397 0.0390141 0.0000000 0.0181953 1.0072811 9 Si 3.5997465 0.0639612 -0.0006730 -0.2705261 3.0805141 0.0943063 -0.1204915 0.0528611 3.2045360 10 Si 3.5997465 0.0639612 0.0006730 -0.2705261 3.0805141 -0.0943063 0.1204915 -0.0528611 3.2045360 11 Si 3.5997465 -0.0639612 -0.0006730 0.2705261 3.0805141 -0.0943063 -0.1204915 -0.0528611 3.2045360 12 Si 3.5997465 -0.0639612 0.0006730 0.2705261 3.0805141 0.0943063 0.1204915 0.0528611 3.2045360 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: -0.00000008 (xzx) -0.00000008 (xzx) -0.00000008 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:08:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:08:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.746669695000000 -2.751298175000000 0.000000000000000 b 4.746669695000000 2.751298175000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.881991860000000 Atomic positions (fractional): 1 N 0.22720054156718 0.77279945843283 0.96832125785529 14.007 2 N 0.77279945843283 0.22720054156717 0.46832125785529 14.007 3 N 0.90642410254766 0.65538278921423 0.35978294998283 14.007 4 N 0.34461721078577 0.09357589745234 0.35978294998283 14.007 5 N 0.65538278921423 0.90642410254766 0.85978294998283 14.007 6 N 0.09357589745234 0.34461721078577 0.85978294998283 14.007 7 Na 0.33630857508671 0.66369142491329 0.48545324817512 22.990 8 Na 0.66369142491329 0.33630857508671 0.98545324817512 22.990 9 Si 0.32442606226679 0.01684040170566 0.01182979200196 28.085 10 Si 0.67557393773321 0.98315959829434 0.51182979200196 28.085 11 Si 0.01684040170566 0.32442606226679 0.51182979200196 28.085 12 Si 0.98315959829434 0.67557393773321 0.01182979200196 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.493339389999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.005192700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.763983720000001 Atomic positions (fractional): 1 N 0.50000000000000 0.13639972921641 0.48416062892764 14.007 > 1 2 N 0.50000000000000 0.63639972921641 0.48416062892764 14.007 > 1 3 N 0.50000000000000 0.13639972921641 0.98416062892764 14.007 > 1 4 N 0.50000000000000 0.63639972921641 0.98416062892764 14.007 > 1 5 N 0.50000000000000 0.36360027078359 0.23416062892764 14.007 > 5 6 N 0.50000000000000 0.86360027078359 0.23416062892764 14.007 > 5 7 N 0.50000000000000 0.36360027078359 0.73416062892764 14.007 > 5 8 N 0.50000000000000 0.86360027078359 0.73416062892764 14.007 > 5 9 N 0.78090344588095 0.43723967166664 0.17989147499142 14.007 > 9 10 N 0.78090344588095 0.93723967166664 0.17989147499142 14.007 > 9 11 N 0.78090344588095 0.43723967166664 0.67989147499142 14.007 > 9 12 N 0.78090344588095 0.93723967166664 0.67989147499142 14.007 > 9 13 N 0.21909655411905 0.43723967166664 0.17989147499142 14.007 > 13 14 N 0.21909655411905 0.93723967166664 0.17989147499142 14.007 > 13 15 N 0.21909655411905 0.43723967166664 0.67989147499142 14.007 > 13 16 N 0.21909655411905 0.93723967166664 0.67989147499142 14.007 > 13 17 N 0.78090344588095 0.06276032833336 0.42989147499142 14.007 > 17 18 N 0.78090344588095 0.56276032833336 0.42989147499142 14.007 > 17 19 N 0.78090344588095 0.06276032833336 0.92989147499142 14.007 > 17 20 N 0.78090344588095 0.56276032833336 0.92989147499142 14.007 > 17 21 N 0.21909655411905 0.06276032833336 0.42989147499142 14.007 > 21 22 N 0.21909655411905 0.56276032833336 0.42989147499142 14.007 > 21 23 N 0.21909655411905 0.06276032833336 0.92989147499142 14.007 > 21 24 N 0.21909655411905 0.56276032833336 0.92989147499142 14.007 > 21 25 N 0.00000000000000 0.38639972921641 0.48416062892764 14.007 > 1 26 N 0.00000000000000 0.88639972921641 0.48416062892764 14.007 > 1 27 N 0.00000000000000 0.38639972921641 0.98416062892764 14.007 > 1 28 N 0.00000000000000 0.88639972921641 0.98416062892764 14.007 > 1 29 N 0.00000000000000 0.11360027078359 0.23416062892764 14.007 > 5 30 N 0.00000000000000 0.61360027078359 0.23416062892764 14.007 > 5 31 N 0.00000000000000 0.11360027078359 0.73416062892764 14.007 > 5 32 N 0.00000000000000 0.61360027078359 0.73416062892764 14.007 > 5 33 N 0.28090344588095 0.18723967166664 0.17989147499142 14.007 > 9 34 N 0.28090344588095 0.68723967166664 0.17989147499142 14.007 > 9 35 N 0.28090344588095 0.18723967166664 0.67989147499142 14.007 > 9 36 N 0.28090344588095 0.68723967166664 0.67989147499142 14.007 > 9 37 N 0.71909655411905 0.18723967166664 0.17989147499142 14.007 > 13 38 N 0.71909655411905 0.68723967166664 0.17989147499142 14.007 > 13 39 N 0.71909655411905 0.18723967166664 0.67989147499142 14.007 > 13 40 N 0.71909655411905 0.68723967166664 0.67989147499142 14.007 > 13 41 N 0.28090344588095 0.31276032833336 0.42989147499142 14.007 > 17 42 N 0.28090344588095 0.81276032833336 0.42989147499142 14.007 > 17 43 N 0.28090344588095 0.31276032833336 0.92989147499142 14.007 > 17 44 N 0.28090344588095 0.81276032833336 0.92989147499142 14.007 > 17 45 N 0.71909655411905 0.31276032833336 0.42989147499142 14.007 > 21 46 N 0.71909655411905 0.81276032833336 0.42989147499142 14.007 > 21 47 N 0.71909655411905 0.31276032833336 0.92989147499142 14.007 > 21 48 N 0.71909655411905 0.81276032833336 0.92989147499142 14.007 > 21 49 Na 0.50000000000000 0.08184571245665 0.24272662408756 22.990 > 49 50 Na 0.50000000000000 0.58184571245665 0.24272662408756 22.990 > 49 51 Na 0.50000000000000 0.08184571245665 0.74272662408756 22.990 > 49 52 Na 0.50000000000000 0.58184571245665 0.74272662408756 22.990 > 49 53 Na 0.50000000000000 0.41815428754335 0.49272662408756 22.990 > 53 54 Na 0.50000000000000 0.91815428754335 0.49272662408756 22.990 > 53 55 Na 0.50000000000000 0.41815428754335 0.99272662408756 22.990 > 53 56 Na 0.50000000000000 0.91815428754335 0.99272662408756 22.990 > 53 57 Na 0.00000000000000 0.33184571245665 0.24272662408756 22.990 > 49 58 Na 0.00000000000000 0.83184571245665 0.24272662408756 22.990 > 49 59 Na 0.00000000000000 0.33184571245665 0.74272662408756 22.990 > 49 60 Na 0.00000000000000 0.83184571245665 0.74272662408756 22.990 > 49 61 Na 0.00000000000000 0.16815428754335 0.49272662408756 22.990 > 53 62 Na 0.00000000000000 0.66815428754335 0.49272662408756 22.990 > 53 63 Na 0.00000000000000 0.16815428754335 0.99272662408756 22.990 > 53 64 Na 0.00000000000000 0.66815428754335 0.99272662408756 22.990 > 53 65 Si 0.17063323198622 0.42310358485972 0.00591489600098 28.085 > 65 66 Si 0.17063323198622 0.92310358485972 0.00591489600098 28.085 > 65 67 Si 0.17063323198622 0.42310358485972 0.50591489600098 28.085 > 65 68 Si 0.17063323198622 0.92310358485972 0.50591489600098 28.085 > 65 69 Si 0.82936676801378 0.07689641514028 0.25591489600098 28.085 > 69 70 Si 0.82936676801378 0.57689641514028 0.25591489600098 28.085 > 69 71 Si 0.82936676801378 0.07689641514028 0.75591489600098 28.085 > 69 72 Si 0.82936676801378 0.57689641514028 0.75591489600098 28.085 > 69 73 Si 0.17063323198622 0.07689641514028 0.25591489600098 28.085 > 73 74 Si 0.17063323198622 0.57689641514028 0.25591489600098 28.085 > 73 75 Si 0.17063323198622 0.07689641514028 0.75591489600098 28.085 > 73 76 Si 0.17063323198622 0.57689641514028 0.75591489600098 28.085 > 73 77 Si 0.82936676801378 0.42310358485972 0.00591489600098 28.085 > 77 78 Si 0.82936676801378 0.92310358485972 0.00591489600098 28.085 > 77 79 Si 0.82936676801378 0.42310358485972 0.50591489600098 28.085 > 77 80 Si 0.82936676801378 0.92310358485972 0.50591489600098 28.085 > 77 81 Si 0.67063323198622 0.17310358485972 0.00591489600098 28.085 > 65 82 Si 0.67063323198622 0.67310358485972 0.00591489600098 28.085 > 65 83 Si 0.67063323198622 0.17310358485972 0.50591489600098 28.085 > 65 84 Si 0.67063323198622 0.67310358485972 0.50591489600098 28.085 > 65 85 Si 0.32936676801378 0.32689641514028 0.25591489600098 28.085 > 69 86 Si 0.32936676801378 0.82689641514028 0.25591489600098 28.085 > 69 87 Si 0.32936676801378 0.32689641514028 0.75591489600098 28.085 > 69 88 Si 0.32936676801378 0.82689641514028 0.75591489600098 28.085 > 69 89 Si 0.67063323198622 0.32689641514028 0.25591489600098 28.085 > 73 90 Si 0.67063323198622 0.82689641514028 0.25591489600098 28.085 > 73 91 Si 0.67063323198622 0.32689641514028 0.75591489600098 28.085 > 73 92 Si 0.67063323198622 0.82689641514028 0.75591489600098 28.085 > 73 93 Si 0.32936676801378 0.17310358485972 0.00591489600098 28.085 > 77 94 Si 0.32936676801378 0.67310358485972 0.00591489600098 28.085 > 77 95 Si 0.32936676801378 0.17310358485972 0.50591489600098 28.085 > 77 96 Si 0.32936676801378 0.67310358485972 0.50591489600098 28.085 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3819866 0.0000000 0.0000000 0.0000000 4.0497799 0.0000000 0.0000000 0.0000000 4.1754846 -------------------------- Born effective charges -------------------------- 1 N -3.8799780 0.0000000 0.0000000 0.0000000 -1.8021007 -0.0526122 0.0000000 -0.0271285 -1.7799599 2 N -3.8799780 0.0000000 0.0000000 0.0000000 -1.8021007 0.0526122 0.0000000 0.0271285 -1.7799599 3 N -2.1923303 -0.5970098 0.4115774 -0.6424699 -2.7156336 -0.0959688 0.2930843 -0.1695364 -2.8181966 4 N -2.1923303 0.5970098 -0.4115774 0.6424699 -2.7156336 -0.0959688 -0.2930843 -0.1695364 -2.8181966 5 N -2.1923303 0.5970098 0.4115774 0.6424699 -2.7156336 0.0959688 0.2930843 0.1695364 -2.8181966 6 N -2.1923303 -0.5970098 -0.4115774 -0.6424699 -2.7156336 0.0959688 -0.2930843 0.1695364 -2.8181966 7 Na 1.0651457 0.0000000 0.0000000 0.0000000 1.0723397 -0.0390141 0.0000000 -0.0181953 1.0072811 8 Na 1.0651457 0.0000000 0.0000000 0.0000000 1.0723397 0.0390141 0.0000000 0.0181953 1.0072811 9 Si 3.5997465 0.0639612 -0.0006730 -0.2705261 3.0805141 0.0943063 -0.1204915 0.0528611 3.2045360 10 Si 3.5997465 0.0639612 0.0006730 -0.2705261 3.0805141 -0.0943063 0.1204915 -0.0528611 3.2045360 11 Si 3.5997465 -0.0639612 -0.0006730 0.2705261 3.0805141 -0.0943063 -0.1204915 -0.0528611 3.2045360 12 Si 3.5997465 -0.0639612 0.0006730 0.2705261 3.0805141 0.0943063 0.1204915 0.0528611 3.2045360 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (xzx) -0.00000008 (xzx) -0.00000008 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.83, Number of G-points: 279, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 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 5.883 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.647 ( 0.000 0.000 -0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 -0.000) 0.000 7.933 ( 0.000 0.000 -0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.681 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 -0.000) 0.000 12.332 ( 0.000 0.000 -0.000) 0.000 12.399 ( 0.000 0.000 -0.000) 0.000 12.815 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 14.987 ( 0.000 0.000 -0.000) 0.000 15.034 ( 0.000 0.000 0.000) 0.000 17.114 ( 0.000 0.000 0.000) 0.000 17.936 ( 0.000 0.000 -0.000) 0.000 19.528 ( 0.000 0.000 -0.000) 0.000 19.658 ( 0.000 0.000 -0.000) 0.000 21.327 ( 0.000 0.000 0.000) 0.000 23.411 ( 0.000 0.000 -0.000) 0.000 24.096 ( 0.000 0.000 0.000) 0.000 24.469 ( 0.000 0.000 -0.000) 0.000 24.721 ( 0.000 0.000 0.000) 0.000 25.602 ( 0.000 0.000 0.000) 0.000 26.779 ( 0.000 0.000 0.000) 0.000 26.950 ( 0.000 0.000 -0.000) 0.000 27.104 ( 0.000 0.000 -0.000) 0.000 32.968 ( 0.000 0.000 -0.000) 0.000 33.018 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 25.468 -56.486 0.000) 61.962 1.207 ( 52.838 -39.760 0.000) 66.127 1.957 ( 47.050 -88.431 0.000) 100.168 5.926 ( 2.990 -2.830 0.000) 4.117 6.105 ( -2.093 -0.600 0.000) 2.177 6.447 ( -0.206 -0.497 0.000) 0.538 6.525 ( -4.758 19.790 0.000) 20.354 7.073 ( -1.966 -2.742 0.000) 3.374 7.439 ( 6.006 10.124 0.000) 11.772 8.243 ( 12.775 -16.479 0.000) 20.850 8.469 ( -25.221 -3.482 0.000) 25.460 8.828 ( -7.541 -13.693 0.000) 15.632 9.593 ( 33.272 -2.807 0.000) 33.390 11.613 ( -21.159 1.515 0.000) 21.213 11.899 ( -5.733 23.241 0.000) 23.938 12.175 ( 0.919 1.458 0.000) 1.723 12.400 ( 6.605 5.362 0.000) 8.508 13.154 ( 6.426 -23.763 0.000) 24.617 13.708 ( -51.721 -29.597 0.000) 59.591 14.944 ( -4.497 3.436 0.000) 5.660 15.314 ( 40.606 42.792 0.000) 58.991 17.234 ( 15.010 -1.652 0.000) 15.101 17.889 ( -1.871 4.205 0.000) 4.602 19.572 ( -3.706 6.056 0.000) 7.100 19.658 ( -5.331 -3.725 0.000) 6.504 21.267 ( -7.483 2.854 0.000) 8.009 23.438 ( -0.979 -3.745 0.000) 3.870 24.138 ( 13.995 9.946 0.000) 17.169 24.523 ( 0.541 -6.172 0.000) 6.195 25.643 ( -1.395 -5.696 0.000) 5.864 26.559 ( -45.907 -25.098 0.000) 52.319 26.786 ( -7.919 -2.243 0.000) 8.230 27.149 ( 1.422 -4.351 0.000) 4.578 29.180 (-111.794 -60.250 0.000) 126.996 33.057 ( 0.893 -3.941 0.000) 4.040 34.571 ( 181.259 103.102 0.000) 208.530 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 38.542 -42.591 0.000) 57.441 2.305 ( 32.128 -45.740 0.000) 55.895 3.797 ( 43.615 -79.181 0.000) 90.399 5.870 ( -5.464 20.102 0.000) 20.832 6.034 ( 0.167 -2.502 0.000) 2.508 6.261 ( 7.906 7.734 0.000) 11.060 6.475 ( -2.671 -2.176 0.000) 3.445 7.155 ( -2.312 -8.479 0.000) 8.788 7.348 ( 1.603 5.255 0.000) 5.494 8.287 ( -23.707 -8.419 0.000) 25.157 8.619 ( 7.066 -12.176 0.000) 14.078 9.036 ( -2.537 -17.751 0.000) 17.931 10.032 ( 34.682 -6.142 0.000) 35.222 11.199 ( -12.644 20.015 0.000) 23.674 11.564 ( -6.007 13.741 0.000) 14.996 12.197 ( -10.516 -8.895 0.000) 13.773 12.392 ( 13.685 6.687 0.000) 15.231 13.568 ( -0.906 -17.917 0.000) 17.940 13.675 ( -22.344 -12.177 0.000) 25.447 14.705 ( -0.749 23.660 0.000) 23.671 15.042 ( 4.614 12.856 0.000) 13.659 17.254 ( 6.610 15.323 0.000) 16.688 17.903 ( 4.731 -6.765 0.000) 8.255 19.379 ( -3.363 12.640 0.000) 13.079 19.687 ( -4.524 -5.612 0.000) 7.209 21.096 ( -13.297 5.389 0.000) 14.347 23.508 ( -2.107 -6.304 0.000) 6.647 24.098 ( 9.441 8.405 0.000) 12.640 24.681 ( 4.637 -9.768 0.000) 10.813 25.757 ( -3.176 -10.506 0.000) 10.975 26.529 ( -18.607 -8.793 0.000) 20.580 26.724 ( -5.934 1.860 0.000) 6.219 27.262 ( 5.079 -5.126 0.000) 7.217 29.071 ( -55.532 -23.735 0.000) 60.392 33.155 ( 1.276 -6.309 0.000) 6.437 34.616 ( 86.689 46.908 0.000) 98.566 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 36.055 -24.360 0.000) 43.513 3.392 ( 21.396 -50.796 0.000) 55.118 5.119 ( 25.583 -13.165 0.000) 28.772 5.591 ( -1.574 -11.575 0.000) 11.682 5.990 ( -3.881 5.142 0.000) 6.442 6.401 ( -5.499 5.406 0.000) 7.712 6.515 ( 22.114 -25.472 0.000) 33.732 7.281 ( -2.127 -6.221 0.000) 6.575 7.330 ( 2.777 -4.552 0.000) 5.332 8.249 ( -26.878 -15.250 0.000) 30.903 8.879 ( 21.035 -5.249 0.000) 21.680 9.273 ( -7.031 -10.085 0.000) 12.294 10.157 ( 4.350 13.712 0.000) 14.385 11.140 ( 21.879 -11.357 0.000) 24.651 11.248 ( -5.207 17.589 0.000) 18.344 12.254 ( -6.229 -6.931 0.000) 9.319 12.454 ( 7.760 -2.037 0.000) 8.023 13.430 ( -29.494 3.138 0.000) 29.661 13.898 ( 3.999 -9.270 0.000) 10.096 14.263 ( -0.687 25.952 0.000) 25.961 14.937 ( -3.398 1.358 0.000) 3.660 16.949 ( -2.182 20.133 0.000) 20.251 18.115 ( 9.154 -7.915 0.000) 12.101 19.110 ( -3.055 15.430 0.000) 15.729 19.754 ( -3.073 -6.580 0.000) 7.263 20.855 ( -15.246 6.472 0.000) 16.562 23.599 ( -2.996 -7.560 0.000) 8.132 24.043 ( 7.074 7.795 0.000) 10.526 24.929 ( 10.252 -11.355 0.000) 15.298 25.914 ( -6.189 -13.225 0.000) 14.602 26.490 ( -10.545 -3.018 0.000) 10.968 26.613 ( -4.772 4.935 0.000) 6.865 27.406 ( 9.322 -3.719 0.000) 10.037 28.909 ( -36.719 -10.371 0.000) 38.155 33.275 ( 1.088 -6.438 0.000) 6.529 34.676 ( 51.154 25.977 0.000) 57.372 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( 21.450 -16.077 0.000) 26.806 4.357 ( 16.402 -42.201 0.000) 45.277 4.972 ( 8.533 22.358 0.000) 23.931 5.819 ( -2.890 6.503 0.000) 7.117 5.943 ( -1.686 -11.153 0.000) 11.279 6.246 ( -4.133 6.009 0.000) 7.294 7.178 ( 5.785 -7.771 0.000) 9.688 7.478 ( -1.160 -20.294 0.000) 20.328 7.652 ( 24.257 -29.184 0.000) 37.949 8.289 ( -19.627 -21.701 0.000) 29.260 8.974 ( -9.999 23.214 0.000) 25.276 9.294 ( 27.764 -7.554 0.000) 28.773 10.100 ( -3.928 -6.577 0.000) 7.660 10.890 ( -1.862 19.887 0.000) 19.974 11.669 ( 24.464 -17.396 0.000) 30.018 12.286 ( 0.003 -0.708 0.000) 0.708 12.535 ( -6.990 1.358 0.000) 7.121 13.083 ( -20.662 -1.718 0.000) 20.734 13.842 ( 3.916 23.482 0.000) 23.806 13.955 ( -9.687 3.235 0.000) 10.213 14.942 ( -1.388 -4.630 0.000) 4.833 16.634 ( -2.425 13.801 0.000) 14.013 18.296 ( 6.161 -4.822 0.000) 7.823 18.836 ( -2.058 14.014 0.000) 14.164 19.835 ( -1.647 -5.669 0.000) 5.903 20.619 ( -12.033 5.341 0.000) 13.165 23.697 ( -3.425 -7.858 0.000) 8.572 23.976 ( 5.402 7.464 0.000) 9.213 25.238 ( 14.725 -10.990 0.000) 18.374 26.044 ( -12.302 -11.581 0.000) 16.895 26.399 ( -7.695 2.975 0.000) 8.250 26.512 ( -0.002 3.704 0.000) 3.704 27.554 ( 11.173 -1.983 0.000) 11.348 28.726 ( -25.032 -3.935 0.000) 25.339 33.377 ( 0.640 -4.650 0.000) 4.694 34.731 ( 28.366 13.635 0.000) 31.473 ======================= Grid point 5 (6/216) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( 9.268 -12.502 0.000) 15.562 4.616 ( -2.255 14.299 0.000) 14.475 5.138 ( 13.262 -24.738 0.000) 28.069 5.621 ( -4.660 12.769 0.000) 13.593 6.063 ( -2.412 -6.360 0.000) 6.802 6.139 ( 0.498 5.162 0.000) 5.186 7.233 ( 1.259 -0.178 0.000) 1.271 7.787 ( -3.285 -20.595 0.000) 20.855 8.017 ( 4.104 -3.589 0.000) 5.452 8.387 ( -9.743 26.418 0.000) 28.157 8.788 ( 7.700 -23.852 0.000) 25.064 9.790 ( 16.671 -21.050 0.000) 26.852 10.097 ( -1.037 6.470 0.000) 6.553 10.596 ( 0.064 13.625 0.000) 13.626 11.941 ( -10.407 -0.970 0.000) 10.453 12.294 ( 3.585 2.469 0.000) 4.353 12.335 ( 3.003 1.223 0.000) 3.243 13.255 ( -5.160 -23.046 0.000) 23.617 13.535 ( 10.380 17.611 0.000) 20.442 13.701 ( -14.207 11.864 0.000) 18.509 15.016 ( 0.173 -3.153 0.000) 3.158 16.468 ( -0.703 4.505 0.000) 4.560 18.396 ( 1.849 -2.669 0.000) 3.247 18.639 ( -0.648 7.033 0.000) 7.062 19.896 ( -0.458 -2.401 0.000) 2.444 20.473 ( -4.567 2.159 0.000) 5.052 23.788 ( -3.061 -6.399 0.000) 7.093 23.903 ( 3.646 6.172 0.000) 7.169 25.536 ( 12.628 -6.753 0.000) 14.320 26.002 ( -14.219 -0.583 0.000) 14.231 26.336 ( -0.761 -0.516 0.000) 0.919 26.470 ( 0.777 2.067 0.000) 2.208 27.665 ( 5.874 -0.615 0.000) 5.906 28.589 ( -10.091 -0.894 0.000) 10.130 33.435 ( 0.200 -1.682 0.000) 1.694 34.763 ( 9.193 4.287 0.000) 10.144 ======================= Grid point 12 (7/216) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 51.989 0.000 0.000) 51.989 1.034 ( 52.307 0.000 0.000) 52.307 2.259 ( 115.579 0.000 0.000) 115.579 5.935 ( 4.317 0.000 0.000) 4.317 6.060 ( -3.258 -0.000 0.000) 3.258 6.476 ( 2.426 0.000 0.000) 2.426 6.625 ( -1.971 -0.000 0.000) 1.971 7.016 ( -2.914 -0.000 0.000) 2.914 7.646 ( -9.575 -0.000 0.000) 9.575 8.125 ( -31.494 -0.000 0.000) 31.494 8.278 ( 24.906 0.000 0.000) 24.906 8.702 ( 2.119 0.000 0.000) 2.119 9.893 ( 35.580 0.000 0.000) 35.580 11.349 ( -20.259 -0.000 0.000) 20.259 11.884 ( -18.279 -0.000 0.000) 18.279 12.338 ( -7.626 -0.000 0.000) 7.626 12.520 ( 9.765 0.000 0.000) 9.765 12.877 ( 4.635 0.000 0.000) 4.635 13.124 ( 11.722 0.000 0.000) 11.722 14.893 ( -9.688 -0.000 0.000) 9.688 16.222 ( -1.839 -0.000 0.000) 1.839 17.146 ( 3.030 0.000 0.000) 3.030 17.901 ( -9.802 -0.000 0.000) 9.802 19.487 ( -4.014 -0.000 0.000) 4.014 19.633 ( -2.529 -0.000 0.000) 2.529 21.229 ( -9.366 -0.000 0.000) 9.366 23.400 ( -1.024 -0.000 0.000) 1.024 24.456 ( -1.115 -0.000 0.000) 1.115 24.759 ( 3.477 0.000 0.000) 3.477 25.017 ( 4.305 0.000 0.000) 4.305 25.578 ( -2.270 -0.000 0.000) 2.270 26.722 ( -5.360 -0.000 0.000) 5.360 27.184 ( 7.739 0.000 0.000) 7.739 28.353 ( 9.761 0.000 0.000) 9.761 33.013 ( -0.555 -0.000 0.000) 0.555 36.982 ( -2.086 -0.000 0.000) 2.086 ======================= Grid point 13 (8/216) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 41.553 -36.108 0.000) 55.049 2.056 ( 39.432 -49.174 0.000) 63.031 3.548 ( 97.544 -27.056 0.000) 101.226 5.969 ( 0.182 -0.795 0.000) 0.816 6.014 ( -8.126 2.951 0.000) 8.645 6.475 ( 1.163 5.373 0.000) 5.498 6.512 ( 5.413 7.504 0.000) 9.253 7.015 ( -5.222 -4.525 0.000) 6.910 7.474 ( 0.037 7.858 0.000) 7.858 7.890 ( -25.872 -4.596 0.000) 26.277 8.638 ( 27.096 -9.040 0.000) 28.564 8.805 ( 2.209 -9.438 0.000) 9.693 10.268 ( 32.323 -4.441 0.000) 32.626 11.127 ( -26.368 2.498 0.000) 26.486 11.679 ( -15.730 2.070 0.000) 15.866 12.156 ( -6.042 12.211 0.000) 13.624 12.516 ( 5.095 -0.185 0.000) 5.098 13.207 ( -6.974 -18.418 0.000) 19.694 13.354 ( 12.423 -13.641 0.000) 18.450 14.762 ( -13.950 2.370 0.000) 14.150 15.700 ( 8.284 42.366 0.000) 43.169 17.358 ( -5.759 -5.534 0.000) 7.987 17.806 ( -4.531 -5.656 0.000) 7.247 19.461 ( -6.226 0.850 0.000) 6.284 19.580 ( -3.633 0.564 0.000) 3.677 21.070 ( -11.645 5.885 0.000) 13.047 23.411 ( -1.643 -2.955 0.000) 3.381 24.427 ( 12.919 18.864 0.000) 22.864 24.541 ( 1.476 -10.022 0.000) 10.130 25.593 ( -3.642 -5.753 0.000) 6.809 25.757 ( -23.367 -47.192 0.000) 52.661 26.662 ( -7.257 0.086 0.000) 7.258 27.277 ( 10.072 -1.152 0.000) 10.138 28.533 ( 2.025 -8.094 0.000) 8.344 33.045 ( -1.279 -4.612 0.000) 4.786 36.312 ( 34.089 63.000 0.000) 71.632 ======================= Grid point 14 (9/216) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 32.854 -43.626 0.000) 54.614 3.146 ( 38.980 -34.096 0.000) 51.788 4.863 ( 55.249 -36.765 0.000) 66.364 5.748 ( -6.692 16.027 0.000) 17.368 5.975 ( -4.418 -0.250 0.000) 4.425 6.398 ( 2.191 2.968 0.000) 3.689 6.552 ( 14.694 -0.946 0.000) 14.725 7.065 ( -7.366 -9.054 0.000) 11.672 7.412 ( 6.676 3.586 0.000) 7.578 7.817 ( -15.154 -10.451 0.000) 18.409 8.970 ( 9.152 -9.555 0.000) 13.231 9.087 ( 20.956 -9.783 0.000) 23.127 10.418 ( -2.317 13.942 0.000) 14.133 10.997 ( 1.198 -11.799 0.000) 11.860 11.516 ( -3.879 6.299 0.000) 7.398 11.963 ( -12.990 -1.835 0.000) 13.118 12.579 ( 5.364 -0.878 0.000) 5.436 13.251 ( -9.254 0.912 0.000) 9.299 13.729 ( 7.346 -15.934 0.000) 17.546 14.530 ( -14.582 9.633 0.000) 17.476 15.176 ( 6.983 28.620 0.000) 29.460 17.104 ( -21.386 12.048 0.000) 24.546 18.037 ( 7.593 -12.941 0.000) 15.004 19.298 ( -4.809 10.992 0.000) 11.998 19.598 ( -4.878 -6.660 0.000) 8.255 20.842 ( -11.202 7.613 0.000) 13.544 23.463 ( -2.437 -5.497 0.000) 6.013 24.286 ( 9.192 12.348 0.000) 15.394 24.791 ( 6.175 -15.062 0.000) 16.278 25.672 ( -5.517 -8.798 0.000) 10.384 26.133 ( -18.415 -24.995 0.000) 31.046 26.580 ( -8.301 0.666 0.000) 8.328 27.415 ( 10.406 -3.326 0.000) 10.925 28.610 ( -1.891 -1.677 0.000) 2.527 33.126 ( -3.095 -7.292 0.000) 7.921 35.767 ( 36.485 45.682 0.000) 58.463 ======================= Grid point 15 (10/216) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 28.702 -28.679 0.000) 40.575 3.888 ( 30.076 -24.183 0.000) 38.592 5.440 ( 6.648 21.454 0.000) 22.461 5.587 ( -4.313 -22.859 0.000) 23.262 5.870 ( -7.239 4.139 0.000) 8.338 6.324 ( 0.757 6.310 0.000) 6.356 7.039 ( 23.449 -22.901 0.000) 32.776 7.173 ( -7.705 -12.817 0.000) 14.955 7.553 ( 24.424 -11.502 0.000) 26.997 7.905 ( -3.572 -9.691 0.000) 10.329 9.094 ( -5.507 1.856 0.000) 5.811 9.445 ( 26.070 -5.104 0.000) 26.565 10.089 ( -5.899 9.069 0.000) 10.819 11.116 ( 0.333 7.519 0.000) 7.526 11.558 ( 3.875 -12.297 0.000) 12.893 11.968 ( -15.933 -14.605 0.000) 21.614 12.662 ( 9.399 -1.556 0.000) 9.526 13.034 ( -8.278 13.485 0.000) 15.823 13.920 ( -3.847 0.034 0.000) 3.847 14.210 ( -1.400 14.825 0.000) 14.891 14.910 ( -0.162 7.477 0.000) 7.478 16.700 ( -23.124 8.840 0.000) 24.756 18.273 ( 6.683 -6.491 0.000) 9.316 19.044 ( -3.753 13.924 0.000) 14.421 19.682 ( -4.841 -8.777 0.000) 10.024 20.632 ( -6.329 6.888 0.000) 9.354 23.542 ( -2.918 -6.985 0.000) 7.570 24.179 ( 6.834 10.050 0.000) 12.153 25.137 ( 10.441 -16.460 0.000) 19.492 25.755 ( -10.202 -9.351 0.000) 13.839 26.276 ( -10.838 -9.711 0.000) 14.552 26.505 ( -6.054 -1.163 0.000) 6.165 27.562 ( 6.956 -3.372 0.000) 7.731 28.589 ( 0.536 1.988 0.000) 2.059 33.214 ( -6.029 -8.213 0.000) 10.189 35.438 ( 28.025 32.982 0.000) 43.280 ======================= Grid point 16 (11/216) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( 16.912 -1.388 0.000) 16.969 4.648 ( 13.397 -23.159 0.000) 26.755 5.151 ( 10.449 17.285 0.000) 20.198 5.740 ( -6.051 1.923 0.000) 6.349 5.817 ( -8.707 -14.001 0.000) 16.487 6.226 ( 0.443 6.520 0.000) 6.535 7.263 ( 2.979 -1.862 0.000) 3.513 7.393 ( -4.431 -18.043 0.000) 18.579 8.047 ( 7.673 -5.117 0.000) 9.223 8.347 ( 30.223 -31.169 0.000) 43.416 8.793 ( -5.444 18.416 0.000) 19.204 9.628 ( -5.547 -4.286 0.000) 7.010 10.163 ( 17.132 -4.862 0.000) 17.809 10.898 ( -0.331 18.912 0.000) 18.915 11.691 ( -13.226 -9.824 0.000) 16.476 12.134 ( -5.299 -16.202 0.000) 17.047 12.677 ( 9.084 18.791 0.000) 20.872 12.887 ( -4.606 -12.214 0.000) 13.054 13.693 ( -5.917 10.690 0.000) 12.218 14.029 ( 8.769 17.292 0.000) 19.388 14.901 ( -3.462 -6.367 0.000) 7.248 16.411 ( -20.132 0.651 0.000) 20.143 18.381 ( 2.812 -1.786 0.000) 3.331 18.791 ( -2.617 12.335 0.000) 12.609 19.786 ( -3.708 -8.358 0.000) 9.144 20.513 ( 1.364 4.240 0.000) 4.454 23.633 ( -3.141 -7.458 0.000) 8.093 24.081 ( 5.365 8.985 0.000) 10.465 25.492 ( 9.010 -11.595 0.000) 14.684 25.771 ( -12.991 -8.330 0.000) 15.432 26.291 ( -4.344 -3.102 0.000) 5.338 26.509 ( -0.488 -1.903 0.000) 1.965 27.621 ( -3.152 -0.720 0.000) 3.233 28.609 ( 10.941 0.920 0.000) 10.980 33.274 ( -9.761 -8.040 0.000) 12.646 35.179 ( 17.404 25.437 0.000) 30.821 ======================= Grid point 17 (12/216) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.278 ( 1.147 2.173 0.000) 2.457 4.620 ( 2.730 14.399 0.000) 14.655 5.316 ( 2.669 -4.287 0.000) 5.050 5.574 ( 2.174 8.781 0.000) 9.046 5.987 ( -3.099 -11.993 0.000) 12.386 6.127 ( -2.242 3.610 0.000) 4.249 7.268 ( 2.580 3.521 0.000) 4.365 7.758 ( -0.170 -28.271 0.000) 28.271 8.196 ( 12.086 8.399 0.000) 14.718 8.256 ( -1.472 14.100 0.000) 14.177 9.033 ( 13.434 1.228 0.000) 13.490 9.714 ( -8.841 -21.418 0.000) 23.171 10.090 ( -17.114 21.159 0.000) 27.214 10.595 ( 4.282 9.905 0.000) 10.791 11.845 ( 3.202 -10.761 0.000) 11.228 12.223 ( -10.153 0.252 0.000) 10.156 12.522 ( 13.731 8.708 0.000) 16.259 13.051 ( -12.751 -20.624 0.000) 24.247 13.595 ( 4.441 9.019 0.000) 10.053 13.861 ( 18.060 9.868 0.000) 20.580 14.973 ( -4.283 -5.284 0.000) 6.802 16.288 ( -17.100 -7.161 0.000) 18.539 18.413 ( 0.399 -0.166 0.000) 0.432 18.610 ( -2.485 5.236 0.000) 5.796 19.871 ( -1.767 -4.660 0.000) 4.984 20.524 ( 8.649 0.170 0.000) 8.651 23.723 ( -3.260 -7.041 0.000) 7.759 23.984 ( 4.328 8.417 0.000) 9.464 25.486 ( -14.957 3.672 0.000) 15.401 25.979 ( 8.856 -14.583 0.000) 17.061 26.320 ( -0.857 -2.908 0.000) 3.031 26.528 ( 5.057 2.633 0.000) 5.702 27.534 ( -13.785 0.234 0.000) 13.787 28.779 ( 23.566 -0.947 0.000) 23.585 33.288 ( -14.004 -7.350 0.000) 15.816 34.914 ( 5.872 20.500 0.000) 21.324 ======================= Grid point 18 (13/216) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( -5.756 23.992 0.000) 24.672 4.609 ( -6.251 -10.645 0.000) 12.345 4.901 ( -8.669 36.483 0.000) 37.499 5.703 ( 3.516 -9.231 0.000) 9.878 6.066 ( 0.069 3.264 0.000) 3.265 6.153 ( 2.048 -9.060 0.000) 9.288 7.221 ( 0.042 3.278 0.000) 3.278 7.843 ( 1.618 20.702 0.000) 20.765 7.979 ( -2.456 22.507 0.000) 22.640 8.510 ( 1.211 -30.635 0.000) 30.659 8.880 ( 10.668 16.707 0.000) 19.822 9.272 ( -17.242 24.279 0.000) 29.778 10.280 ( 11.802 -7.518 0.000) 13.993 10.522 ( -7.360 -11.177 0.000) 13.382 11.653 ( -31.688 12.622 0.000) 34.109 12.134 ( -7.062 0.776 0.000) 7.104 12.765 ( 30.285 -4.240 0.000) 30.580 13.302 ( -3.934 -8.025 0.000) 8.938 13.472 ( 10.519 -3.338 0.000) 11.036 14.024 ( 13.875 -2.813 0.000) 14.158 14.984 ( -2.021 -0.387 0.000) 2.058 16.321 ( -14.648 -15.568 0.000) 21.376 18.340 ( -3.609 6.572 0.000) 7.498 18.642 ( -0.084 -9.813 0.000) 9.813 19.896 ( -0.088 0.553 0.000) 0.560 20.667 ( 13.246 -4.232 0.000) 13.905 23.796 ( -2.389 -4.438 0.000) 5.040 23.889 ( 2.396 6.375 0.000) 6.810 25.240 ( -15.111 7.192 0.000) 16.735 26.267 ( 8.880 -4.964 0.000) 10.173 26.349 ( 0.581 -3.076 0.000) 3.131 26.531 ( 9.010 3.976 0.000) 9.849 27.393 ( -17.440 -2.285 0.000) 17.589 29.069 ( 33.446 -0.700 0.000) 33.453 33.247 ( -18.804 -6.631 0.000) 19.939 34.606 ( -6.177 16.742 0.000) 17.845 ======================= Grid point 19 (14/216) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -14.261 34.728 0.000) 37.542 4.068 ( -12.311 48.336 0.000) 49.879 4.798 ( -8.903 -17.361 0.000) 19.511 5.872 ( 2.795 -6.902 0.000) 7.447 5.980 ( 4.781 11.458 0.000) 12.415 6.311 ( -0.349 -6.087 0.000) 6.097 6.996 ( -11.537 44.652 0.000) 46.118 7.273 ( -8.265 9.090 0.000) 12.286 7.564 ( 1.503 15.789 0.000) 15.861 8.649 ( -6.574 11.145 0.000) 12.940 8.897 ( 15.374 0.687 0.000) 15.389 9.314 ( 19.387 -16.663 0.000) 25.564 10.098 ( -3.299 15.479 0.000) 15.827 10.780 ( -29.261 -9.630 0.000) 30.805 11.255 ( 0.551 -2.879 0.000) 2.931 12.046 ( -16.038 -4.469 0.000) 16.649 12.795 ( 11.273 19.632 0.000) 22.638 13.584 ( 21.032 -15.917 0.000) 26.376 13.763 ( 2.854 -14.723 0.000) 14.997 14.105 ( 3.110 2.848 0.000) 4.217 14.984 ( 3.180 0.419 0.000) 3.208 16.527 ( -11.217 -23.805 0.000) 26.316 18.169 ( -5.981 8.140 0.000) 10.101 18.869 ( 1.335 -15.670 0.000) 15.726 19.861 ( 1.106 3.853 0.000) 4.009 20.891 ( 13.380 -6.578 0.000) 14.909 23.759 ( 2.916 7.822 0.000) 8.348 23.883 ( -4.091 -5.204 0.000) 6.620 24.987 ( -10.291 8.193 0.000) 13.154 26.196 ( 4.128 13.075 0.000) 13.711 26.507 ( 0.138 -8.319 0.000) 8.320 26.598 ( 11.070 -0.104 0.000) 11.071 27.294 ( -13.403 -3.635 0.000) 13.887 29.435 ( 42.943 0.633 0.000) 42.948 33.146 ( -24.897 -6.461 0.000) 25.722 34.238 ( -17.567 14.085 0.000) 22.516 ======================= Grid point 20 (15/216) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -19.556 44.479 0.000) 48.588 3.095 ( -8.476 56.499 0.000) 57.131 4.708 ( -12.650 41.028 0.000) 42.934 5.663 ( 4.328 8.265 0.000) 9.330 6.033 ( 1.375 -5.695 0.000) 5.859 6.130 ( -12.364 4.401 0.000) 13.124 6.575 ( 5.616 3.952 0.000) 6.867 7.259 ( -1.309 -4.059 0.000) 4.265 7.345 ( 0.973 12.342 0.000) 12.381 8.424 ( -6.745 6.066 0.000) 9.071 9.043 ( 34.018 13.183 0.000) 36.483 9.387 ( 2.446 17.861 0.000) 18.028 9.846 ( -26.268 11.046 0.000) 28.496 10.699 ( -13.015 -30.455 0.000) 33.119 11.577 ( 20.996 -7.786 0.000) 22.393 12.002 ( -20.574 -13.274 0.000) 24.485 12.555 ( 6.216 17.968 0.000) 19.013 13.825 ( -1.935 10.974 0.000) 11.144 13.947 ( 17.717 -2.483 0.000) 17.890 14.223 ( -2.767 -23.164 0.000) 23.329 15.018 ( 3.494 0.243 0.000) 3.502 16.844 ( -8.140 -23.548 0.000) 24.916 17.976 ( -4.067 8.220 0.000) 9.171 19.154 ( 1.280 -16.485 0.000) 16.535 19.802 ( 1.561 4.627 0.000) 4.883 21.110 ( 8.497 -6.462 0.000) 10.675 23.648 ( 1.651 8.051 0.000) 8.218 23.932 ( -3.632 -5.152 0.000) 6.304 24.782 ( -4.311 8.095 0.000) 9.171 25.991 ( 1.987 14.249 0.000) 14.387 26.626 ( 2.756 -5.621 0.000) 6.260 26.697 ( 3.900 -2.135 0.000) 4.446 27.248 ( -5.515 -1.358 0.000) 5.680 29.876 ( 50.317 0.116 0.000) 50.317 32.979 ( -33.250 -6.876 0.000) 33.954 33.807 ( -22.249 14.487 0.000) 26.550 ======================= Grid point 21 (16/216) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.000 50.447 0.000) 50.447 2.070 ( 0.000 61.392 0.000) 61.392 3.380 ( 0.000 93.432 0.000) 93.432 5.952 ( -0.000 -23.775 0.000) 23.775 5.975 ( 0.000 4.826 0.000) 4.826 6.203 ( -0.000 -11.676 0.000) 11.676 6.519 ( 0.000 6.201 0.000) 6.201 7.174 ( 0.000 8.681 0.000) 8.681 7.331 ( -0.000 -4.535 0.000) 4.535 8.330 ( 0.000 2.710 0.000) 2.710 8.855 ( 0.000 25.569 0.000) 25.569 9.248 ( 0.000 23.539 0.000) 23.539 9.381 ( -0.000 -0.640 0.000) 0.640 11.295 ( -0.000 -39.930 0.000) 39.930 11.726 ( 0.000 0.179 0.000) 0.179 12.166 ( -0.000 -16.038 0.000) 16.038 12.332 ( 0.000 12.635 0.000) 12.635 13.519 ( 0.000 22.006 0.000) 22.006 14.099 ( -0.000 -3.590 0.000) 3.590 14.596 ( -0.000 -22.501 0.000) 22.501 15.020 ( 0.000 1.365 0.000) 1.365 17.086 ( -0.000 -10.188 0.000) 10.188 17.866 ( 0.000 1.798 0.000) 1.798 19.413 ( -0.000 -13.425 0.000) 13.425 19.741 ( 0.000 3.733 0.000) 3.733 21.247 ( -0.000 -4.741 0.000) 4.741 23.532 ( 0.000 6.664 0.000) 6.664 23.991 ( -0.000 -4.579 0.000) 4.579 24.634 ( 0.000 7.566 0.000) 7.566 25.788 ( 0.000 10.921 0.000) 10.921 26.729 ( -0.000 -0.769 0.000) 0.769 26.762 ( -0.000 -7.370 0.000) 7.370 27.219 ( 0.000 2.237 0.000) 2.237 30.286 ( -0.000 -6.342 0.000) 6.342 32.806 ( -0.000 -3.165 0.000) 3.165 33.403 ( 0.000 16.550 0.000) 16.550 ======================= Grid point 24 (17/216) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 43.481 0.000 0.000) 43.481 1.968 ( 48.230 0.000 0.000) 48.230 4.366 ( 101.555 0.000 0.000) 101.555 5.943 ( -9.121 -0.000 0.000) 9.121 5.949 ( -6.374 -0.000 0.000) 6.374 6.551 ( 5.388 0.000 0.000) 5.388 6.606 ( 1.531 0.000 0.000) 1.531 6.908 ( -8.125 -0.000 0.000) 8.125 7.536 ( -0.072 -0.000 0.000) 0.072 7.683 ( -11.384 -0.000 0.000) 11.384 8.762 ( 4.405 0.000 0.000) 4.405 8.863 ( 35.770 0.000 0.000) 35.770 10.504 ( 24.454 0.000 0.000) 24.454 10.899 ( -24.576 -0.000 0.000) 24.576 11.484 ( -23.019 -0.000 0.000) 23.019 12.114 ( -13.327 -0.000 0.000) 13.327 12.682 ( 6.979 0.000 0.000) 6.979 13.001 ( 8.642 0.000 0.000) 8.642 13.410 ( 16.247 0.000 0.000) 16.247 14.624 ( -18.065 -0.000 0.000) 18.065 16.135 ( -8.692 -0.000 0.000) 8.692 17.214 ( 3.544 0.000 0.000) 3.544 17.626 ( -18.062 -0.000 0.000) 18.062 19.391 ( -5.496 -0.000 0.000) 5.496 19.566 ( -4.323 -0.000 0.000) 4.323 21.017 ( -11.388 -0.000 0.000) 11.388 23.375 ( -1.437 -0.000 0.000) 1.437 24.438 ( -0.571 -0.000 0.000) 0.571 24.836 ( 4.227 0.000 0.000) 4.227 25.119 ( 5.867 0.000 0.000) 5.867 25.524 ( -3.162 -0.000 0.000) 3.162 26.591 ( -7.961 -0.000 0.000) 7.961 27.377 ( 11.799 0.000 0.000) 11.799 28.602 ( 15.252 0.000 0.000) 15.252 32.997 ( -1.170 -0.000 0.000) 1.170 36.926 ( -3.610 -0.000 0.000) 3.610 ======================= Grid point 25 (18/216) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 41.425 -24.963 0.000) 48.365 2.765 ( 32.914 -43.564 0.000) 54.600 5.210 ( 60.755 3.560 0.000) 60.860 5.797 ( -12.398 3.147 0.000) 12.791 5.929 ( 0.595 -5.131 0.000) 5.166 6.522 ( 3.985 6.940 0.000) 8.003 6.669 ( 9.739 -1.047 0.000) 9.795 6.866 ( -8.074 -4.923 0.000) 9.457 7.560 ( 11.837 3.406 0.000) 12.317 7.653 ( 3.923 -3.219 0.000) 5.075 8.864 ( 5.048 -6.419 0.000) 8.166 9.277 ( 37.550 -5.014 0.000) 37.884 10.526 ( -18.005 9.686 0.000) 20.445 10.826 ( 4.661 -10.714 0.000) 11.684 11.323 ( -21.175 -7.297 0.000) 22.397 11.955 ( -9.581 6.843 0.000) 11.774 12.650 ( 8.793 4.861 0.000) 10.047 13.213 ( 4.096 -6.900 0.000) 8.024 13.610 ( 13.362 -7.189 0.000) 15.173 14.429 ( -20.060 1.004 0.000) 20.085 15.746 ( -4.204 28.747 0.000) 29.052 17.029 ( -24.661 12.545 0.000) 27.669 17.783 ( 1.025 -23.774 0.000) 23.796 19.345 ( -5.785 0.886 0.000) 5.852 19.500 ( -4.751 1.174 0.000) 4.894 20.866 ( -8.681 5.495 0.000) 10.274 23.379 ( -1.687 -2.272 0.000) 2.830 24.544 ( 1.303 -7.341 0.000) 7.455 24.648 ( 7.844 10.920 0.000) 13.446 25.503 ( -4.334 -16.889 0.000) 17.436 25.544 ( -4.079 -15.666 0.000) 16.188 26.508 ( -8.566 0.421 0.000) 8.577 27.501 ( 12.748 -0.844 0.000) 12.776 28.717 ( 13.617 3.879 0.000) 14.159 33.012 ( -2.166 -3.346 0.000) 3.986 36.626 ( 5.937 29.289 0.000) 29.884 ======================= Grid point 26 (19/216) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( 33.537 -34.600 0.000) 48.186 3.790 ( 27.175 -39.564 0.000) 47.998 5.276 ( -9.326 3.750 0.000) 10.052 5.696 ( -5.323 1.021 0.000) 5.420 5.980 ( 6.716 13.171 0.000) 14.784 6.450 ( 3.152 5.891 0.000) 6.681 6.910 ( 0.468 -10.375 0.000) 10.385 6.940 ( 11.652 -13.433 0.000) 17.783 7.642 ( 12.391 -0.171 0.000) 12.392 7.941 ( 38.310 -6.431 0.000) 38.846 9.027 ( 2.965 -5.950 0.000) 6.648 9.645 ( 22.557 1.241 0.000) 22.591 10.182 ( -7.473 8.216 0.000) 11.106 11.049 ( -4.609 -12.932 0.000) 13.729 11.313 ( -17.047 -12.874 0.000) 21.362 11.760 ( -3.709 6.090 0.000) 7.131 12.715 ( 9.723 -0.579 0.000) 9.740 13.207 ( -0.664 8.712 0.000) 8.737 13.853 ( 4.545 -7.635 0.000) 8.885 14.240 ( -12.720 0.405 0.000) 12.726 15.252 ( -0.380 26.893 0.000) 26.895 16.538 ( -34.493 9.261 0.000) 35.715 18.161 ( 5.265 -15.826 0.000) 16.679 19.202 ( -4.874 9.510 0.000) 10.686 19.488 ( -6.667 -6.138 0.000) 9.062 20.705 ( -3.175 6.341 0.000) 7.092 23.419 ( -2.087 -4.723 0.000) 5.163 24.438 ( 6.849 13.091 0.000) 14.775 24.892 ( 3.888 -20.482 0.000) 20.847 25.553 ( -6.724 -5.235 0.000) 8.522 25.884 ( -7.948 -22.007 0.000) 23.398 26.424 ( -7.566 -0.271 0.000) 7.570 27.636 ( 11.946 -0.214 0.000) 11.948 28.739 ( 11.676 7.040 0.000) 13.634 33.050 ( -4.637 -4.825 0.000) 6.692 36.198 ( 12.268 32.092 0.000) 34.357 ======================= Grid point 27 (20/216) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.347 ( 25.104 -26.036 0.000) 36.167 4.389 ( 20.157 -7.064 0.000) 21.358 5.268 ( -20.543 -22.029 0.000) 30.122 5.564 ( 0.763 13.182 0.000) 13.204 5.786 ( 1.654 6.712 0.000) 6.913 6.369 ( 2.574 7.802 0.000) 8.216 6.996 ( -10.529 -12.160 0.000) 16.085 7.334 ( 12.213 -9.754 0.000) 15.630 7.847 ( 9.598 -14.561 0.000) 17.440 8.510 ( 52.373 -6.012 0.000) 52.716 8.990 ( -4.956 11.223 0.000) 12.269 9.555 ( -12.522 5.896 0.000) 13.841 10.262 ( 13.541 -2.270 0.000) 13.730 11.110 ( -2.325 3.258 0.000) 4.002 11.430 ( -1.150 -14.543 0.000) 14.589 11.758 ( -6.332 -12.684 0.000) 14.177 12.769 ( -6.237 2.750 0.000) 6.816 13.001 ( 3.917 11.217 0.000) 11.881 13.830 ( -1.466 8.074 0.000) 8.206 14.244 ( 3.050 -1.583 0.000) 3.436 14.897 ( -1.282 13.172 0.000) 13.234 16.133 ( -33.483 -0.834 0.000) 33.493 18.373 ( 4.009 -4.434 0.000) 5.978 18.973 ( -3.367 12.630 0.000) 13.071 19.565 ( -6.803 -11.048 0.000) 12.975 20.614 ( 3.246 4.402 0.000) 5.469 23.491 ( -2.290 -6.383 0.000) 6.781 24.300 ( 5.724 11.092 0.000) 12.482 25.298 ( 5.941 -21.363 0.000) 22.173 25.542 ( -11.187 -3.975 0.000) 11.872 26.104 ( -6.648 -13.289 0.000) 14.859 26.402 ( -4.423 -4.755 0.000) 6.494 27.693 ( 6.905 5.630 0.000) 8.909 28.764 ( 13.964 2.902 0.000) 14.263 33.071 ( -8.272 -4.940 0.000) 9.635 35.801 ( 11.573 30.185 0.000) 32.328 ======================= Grid point 28 (21/216) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.382 ( 4.892 8.544 0.000) 9.846 4.867 ( 7.989 0.689 0.000) 8.019 5.251 ( -2.072 -2.340 0.000) 3.125 5.624 ( -3.670 -12.720 0.000) 13.239 5.807 ( 9.023 -1.887 0.000) 9.218 6.224 ( -0.052 10.730 0.000) 10.730 7.195 ( -7.981 -24.854 0.000) 26.104 7.449 ( 9.256 5.101 0.000) 10.569 8.280 ( 15.810 -16.942 0.000) 23.173 8.601 ( -1.429 22.527 0.000) 22.572 9.130 ( 31.800 -11.412 0.000) 33.786 9.329 ( -19.851 -1.104 0.000) 19.882 10.204 ( -16.010 11.081 0.000) 19.471 10.914 ( 7.074 18.900 0.000) 20.181 11.738 ( 3.890 -10.517 0.000) 11.213 12.047 ( 7.920 -18.542 0.000) 20.163 12.516 ( -20.844 -0.780 0.000) 20.858 12.954 ( 9.852 6.841 0.000) 11.995 13.729 ( 3.816 4.353 0.000) 5.789 14.203 ( 8.246 11.639 0.000) 14.264 14.824 ( -2.789 -4.552 0.000) 5.338 15.928 ( -28.047 -9.319 0.000) 29.555 18.420 ( 1.615 0.252 0.000) 1.635 18.737 ( -2.887 12.040 0.000) 12.381 19.709 ( -3.686 -11.517 0.000) 12.092 20.621 ( 7.860 1.300 0.000) 7.967 23.580 ( -2.269 -6.901 0.000) 7.264 24.177 ( 4.580 9.806 0.000) 10.823 25.395 ( -12.620 2.110 0.000) 12.795 25.754 ( 5.565 -20.935 0.000) 21.662 26.221 ( -2.904 -7.378 0.000) 7.929 26.492 ( -1.141 -8.495 0.000) 8.571 27.566 ( -1.034 12.427 0.000) 12.470 28.940 ( 19.305 -4.661 0.000) 19.860 33.049 ( -12.460 -4.302 0.000) 13.182 35.408 ( 7.312 28.665 0.000) 29.583 ======================= Grid point 29 (22/216) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.279 ( 0.729 7.184 0.000) 7.221 4.624 ( -3.685 19.420 0.000) 19.767 5.282 ( -2.734 10.213 0.000) 10.572 5.679 ( 6.439 4.210 0.000) 7.693 5.953 ( -3.303 -10.660 0.000) 11.160 6.125 ( 4.329 0.408 0.000) 4.349 7.342 ( 4.994 9.099 0.000) 10.379 7.758 ( -0.006 -40.050 0.000) 40.050 8.187 ( -1.619 21.140 0.000) 21.202 8.539 ( 16.594 16.152 0.000) 23.158 8.989 ( -17.679 9.985 0.000) 20.304 9.675 ( -18.719 -2.524 0.000) 18.888 9.852 ( 23.058 -9.774 0.000) 25.044 10.695 ( 5.694 16.423 0.000) 17.382 11.533 ( -31.997 11.978 0.000) 34.166 12.242 ( 7.048 9.265 0.000) 11.641 12.685 ( -2.636 -27.212 0.000) 27.340 13.113 ( 22.888 -6.956 0.000) 23.922 13.695 ( 4.552 4.628 0.000) 6.491 14.126 ( 6.008 4.728 0.000) 7.645 14.903 ( -0.734 -5.720 0.000) 5.767 15.887 ( -21.928 -14.698 0.000) 26.398 18.429 ( 1.534 2.937 0.000) 3.314 18.548 ( -3.669 3.314 0.000) 4.945 19.842 ( -1.069 -6.600 0.000) 6.686 20.718 ( 9.345 -2.873 0.000) 9.776 23.671 ( -2.031 -6.476 0.000) 6.787 24.060 ( 3.314 9.147 0.000) 9.728 25.209 ( -11.589 5.254 0.000) 12.724 26.114 ( 4.274 -15.848 0.000) 16.414 26.306 ( -0.494 -4.754 0.000) 4.779 26.641 ( 5.605 -6.662 0.000) 8.706 27.305 ( -8.630 12.107 0.000) 14.868 29.262 ( 22.792 -9.066 0.000) 24.529 32.973 ( -16.169 -3.124 0.000) 16.468 34.987 ( 2.083 27.759 0.000) 27.837 ======================= Grid point 30 (23/216) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 1.849 35.281 0.000) 35.330 4.401 ( -10.308 -2.434 0.000) 10.591 4.826 ( -1.164 33.900 0.000) 33.920 5.751 ( 1.371 -7.151 0.000) 7.281 6.064 ( -0.477 -4.780 0.000) 4.804 6.234 ( 4.573 -5.159 0.000) 6.894 7.233 ( 0.878 5.815 0.000) 5.881 7.844 ( -2.360 25.558 0.000) 25.667 7.894 ( -3.333 47.922 0.000) 48.038 8.522 ( 0.513 -42.503 0.000) 42.506 8.685 ( -10.651 8.204 0.000) 13.444 9.661 ( 35.261 8.259 0.000) 36.215 10.264 ( -22.113 -10.582 0.000) 24.515 10.487 ( 8.476 13.414 0.000) 15.867 11.069 ( -22.154 -2.475 0.000) 22.292 12.038 ( -2.719 13.109 0.000) 13.388 13.144 ( 7.505 -11.996 0.000) 14.150 13.228 ( -1.160 -3.019 0.000) 3.234 13.834 ( 21.682 -3.318 0.000) 21.935 14.123 ( -4.901 -2.462 0.000) 5.484 14.982 ( 1.658 -3.076 0.000) 3.494 16.017 ( -12.422 -21.991 0.000) 25.257 18.283 ( -1.806 10.201 0.000) 10.360 18.641 ( -0.044 -12.019 0.000) 12.019 19.896 ( 0.049 -0.585 0.000) 0.587 20.879 ( 6.733 -6.513 0.000) 9.368 23.754 ( -1.336 -5.586 0.000) 5.744 23.935 ( 1.610 8.854 0.000) 8.999 25.023 ( -6.317 6.434 0.000) 9.017 26.340 ( 1.123 -0.927 0.000) 1.456 26.356 ( 0.053 -8.221 0.000) 8.221 26.782 ( 14.664 4.673 0.000) 15.391 27.075 ( -15.440 -2.436 0.000) 15.631 29.649 ( 20.643 -11.577 0.000) 23.668 32.850 ( -16.074 -1.282 0.000) 16.125 34.535 ( -1.568 26.867 0.000) 26.913 ======================= Grid point 31 (24/216) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 0.000 45.561 0.000) 45.561 3.940 ( 0.000 48.329 0.000) 48.329 4.699 ( -0.000 -13.335 0.000) 13.335 5.899 ( -0.000 -9.345 0.000) 9.345 6.103 ( 0.000 0.739 0.000) 0.739 6.230 ( 0.000 18.238 0.000) 18.238 6.884 ( 0.000 45.668 0.000) 45.668 7.201 ( -0.000 -1.122 0.000) 1.122 7.579 ( 0.000 15.354 0.000) 15.354 8.501 ( 0.000 7.882 0.000) 7.882 9.139 ( -0.000 -25.687 0.000) 25.687 9.738 ( 0.000 22.499 0.000) 22.499 10.103 ( 0.000 26.868 0.000) 26.868 10.151 ( -0.000 -17.645 0.000) 17.645 11.381 ( -0.000 -29.457 0.000) 29.457 11.834 ( 0.000 8.002 0.000) 8.002 12.908 ( 0.000 20.500 0.000) 20.500 13.653 ( -0.000 -26.042 0.000) 26.042 13.987 ( -0.000 -1.997 0.000) 1.997 14.097 ( 0.000 2.761 0.000) 2.761 15.029 ( -0.000 -1.314 0.000) 1.314 16.374 ( -0.000 -26.934 0.000) 26.934 18.106 ( 0.000 9.645 0.000) 9.645 18.882 ( -0.000 -16.356 0.000) 16.356 19.873 ( 0.000 3.069 0.000) 3.069 21.034 ( -0.000 -7.535 0.000) 7.535 23.796 ( 0.000 8.747 0.000) 8.747 23.834 ( -0.000 -4.974 0.000) 4.974 24.882 ( 0.000 7.044 0.000) 7.044 26.232 ( 0.000 12.119 0.000) 12.119 26.507 ( -0.000 -8.374 0.000) 8.374 26.739 ( 0.000 4.227 0.000) 4.227 27.133 ( -0.000 -8.239 0.000) 8.239 29.975 ( -0.000 -12.283 0.000) 12.283 32.758 ( 0.000 0.034 0.000) 0.034 34.092 ( 0.000 24.811 0.000) 24.811 ======================= Grid point 36 (25/216) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 25.485 0.000 0.000) 25.485 2.840 ( 42.493 0.000 0.000) 42.493 5.680 ( -9.588 -0.000 0.000) 9.588 5.692 ( -16.177 -0.000 0.000) 16.177 5.955 ( 47.027 0.000 0.000) 47.027 6.676 ( 2.849 0.000 0.000) 2.849 6.677 ( 6.987 0.000 0.000) 6.987 6.765 ( -4.955 -0.000 0.000) 4.955 7.692 ( 10.826 0.000 0.000) 10.826 7.829 ( 38.645 0.000 0.000) 38.645 8.873 ( 7.585 0.000 0.000) 7.585 9.632 ( 43.781 0.000 0.000) 43.781 10.392 ( -24.562 -0.000 0.000) 24.562 10.744 ( -5.011 -0.000 0.000) 5.011 11.016 ( -25.416 -0.000 0.000) 25.416 11.984 ( 3.128 0.000 0.000) 3.128 12.785 ( 3.737 0.000 0.000) 3.737 13.183 ( 9.373 0.000 0.000) 9.373 13.710 ( 14.702 0.000 0.000) 14.702 14.219 ( -23.494 -0.000 0.000) 23.494 15.811 ( -27.283 -0.000 0.000) 27.283 17.269 ( 2.039 0.000 0.000) 2.039 17.278 ( -15.897 -0.000 0.000) 15.897 19.297 ( -3.946 -0.000 0.000) 3.946 19.474 ( -5.112 -0.000 0.000) 5.112 20.833 ( -7.278 -0.000 0.000) 7.278 23.348 ( -1.354 -0.000 0.000) 1.354 24.435 ( 0.230 0.000 0.000) 0.230 24.912 ( 3.587 0.000 0.000) 3.587 25.227 ( 5.133 0.000 0.000) 5.133 25.465 ( -2.813 -0.000 0.000) 2.813 26.428 ( -8.771 -0.000 0.000) 8.771 27.615 ( 12.540 0.000 0.000) 12.540 28.903 ( 15.347 0.000 0.000) 15.347 32.969 ( -1.639 -0.000 0.000) 1.639 36.850 ( -4.080 -0.000 0.000) 4.080 ======================= Grid point 37 (26/216) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 13.714 -40.103 0.000) 42.383 3.407 ( 36.455 -21.322 0.000) 42.232 5.409 ( -9.090 15.077 0.000) 17.605 5.563 ( -15.136 -2.291 0.000) 15.309 6.255 ( 13.858 6.509 0.000) 15.311 6.572 ( 0.375 6.724 0.000) 6.735 6.779 ( -1.882 -3.803 0.000) 4.244 6.850 ( 6.546 -10.008 0.000) 11.958 7.812 ( 18.411 2.533 0.000) 18.584 8.351 ( 60.812 -3.365 0.000) 60.905 8.996 ( 8.962 -4.213 0.000) 9.903 9.910 ( 5.179 12.295 0.000) 13.342 10.220 ( 9.845 -2.478 0.000) 10.152 10.742 ( -12.591 -11.532 0.000) 17.073 10.883 ( -22.452 -12.706 0.000) 25.798 11.957 ( 8.233 10.667 0.000) 13.475 12.811 ( 6.848 0.198 0.000) 6.850 13.269 ( -0.567 1.400 0.000) 1.510 13.826 ( 6.233 -0.885 0.000) 6.295 14.061 ( -13.434 -5.890 0.000) 14.669 15.440 ( -30.081 7.313 0.000) 30.958 16.604 ( -15.513 32.861 0.000) 36.339 17.804 ( 0.792 -30.871 0.000) 30.881 19.251 ( -3.657 2.314 0.000) 4.328 19.402 ( -5.265 1.811 0.000) 5.568 20.751 ( -3.472 2.834 0.000) 4.482 23.349 ( -1.342 -1.804 0.000) 2.249 24.564 ( 0.987 -13.018 0.000) 13.056 24.767 ( 4.770 12.861 0.000) 13.717 25.441 ( -3.080 -4.447 0.000) 5.409 25.507 ( 0.069 -16.654 0.000) 16.654 26.347 ( -7.882 -0.198 0.000) 7.885 27.742 ( 11.679 -0.976 0.000) 11.720 28.984 ( 13.197 6.529 0.000) 14.724 32.966 ( -2.498 -1.556 0.000) 2.943 36.665 ( -0.369 17.090 0.000) 17.094 ======================= Grid point 38 (27/216) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.039 ( 12.459 -42.234 0.000) 44.034 4.176 ( 21.813 -33.833 0.000) 40.255 5.071 ( -6.374 15.720 0.000) 16.963 5.478 ( -14.937 -4.846 0.000) 15.704 6.112 ( 7.532 16.733 0.000) 18.350 6.492 ( 1.007 4.581 0.000) 4.690 6.790 ( -7.248 -2.278 0.000) 7.597 7.157 ( 7.176 -19.298 0.000) 20.589 7.947 ( 21.328 4.644 0.000) 21.828 8.979 ( 51.130 -2.169 0.000) 51.176 9.103 ( 9.064 3.912 0.000) 9.873 9.565 ( -17.702 11.851 0.000) 21.303 10.314 ( -2.986 1.925 0.000) 3.552 10.878 ( -13.390 -19.387 0.000) 23.561 11.157 ( 19.767 -20.961 0.000) 28.811 11.825 ( 7.225 12.016 0.000) 14.021 12.823 ( -3.351 8.779 0.000) 9.397 13.106 ( -8.524 4.318 0.000) 9.555 13.876 ( -1.064 -1.435 0.000) 1.786 14.145 ( 1.661 -7.993 0.000) 8.164 15.079 ( -19.561 5.804 0.000) 20.404 15.956 ( -20.961 22.386 0.000) 30.667 18.239 ( 2.904 -18.151 0.000) 18.382 19.126 ( -2.788 8.898 0.000) 9.324 19.356 ( -6.586 -4.295 0.000) 7.863 20.695 ( 1.277 2.357 0.000) 2.681 23.385 ( -1.398 -4.136 0.000) 4.366 24.553 ( 5.107 12.851 0.000) 13.829 24.936 ( 0.899 -23.824 0.000) 23.841 25.426 ( -6.189 -0.650 0.000) 6.223 25.797 ( -2.000 -17.025 0.000) 17.142 26.301 ( -5.108 -2.341 0.000) 5.619 27.847 ( 9.456 1.795 0.000) 9.624 28.972 ( 11.235 7.384 0.000) 13.444 32.960 ( -4.442 -1.451 0.000) 4.673 36.332 ( 3.282 24.222 0.000) 24.443 ======================= Grid point 39 (28/216) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.615 ( 6.400 5.360 0.000) 8.348 4.809 ( 21.203 -21.316 0.000) 30.066 4.903 ( -15.199 -20.094 0.000) 25.195 5.431 ( -11.591 -5.498 0.000) 12.829 5.998 ( 15.499 8.474 0.000) 17.664 6.418 ( 2.692 8.168 0.000) 8.600 6.762 ( -13.609 -10.778 0.000) 17.360 7.591 ( 13.763 -15.380 0.000) 20.639 8.091 ( 15.875 -5.251 0.000) 16.720 8.884 ( -6.409 16.315 0.000) 17.529 9.215 ( -16.951 6.974 0.000) 18.330 9.450 ( 33.665 6.407 0.000) 34.269 10.199 ( -7.196 3.286 0.000) 7.911 11.127 ( -1.423 -13.897 0.000) 13.969 11.512 ( 2.606 -0.052 0.000) 2.606 11.983 ( 32.167 -14.386 0.000) 35.237 12.425 ( -21.516 14.295 0.000) 25.832 13.060 ( -3.347 -0.565 0.000) 3.395 13.818 ( -3.365 5.508 0.000) 6.455 14.282 ( 0.893 -5.099 0.000) 5.176 14.901 ( 3.273 6.829 0.000) 7.573 15.527 ( -27.060 0.188 0.000) 27.060 18.431 ( 2.046 -2.870 0.000) 3.525 18.923 ( -1.808 12.504 0.000) 12.634 19.449 ( -4.759 -13.395 0.000) 14.215 20.698 ( 4.234 0.671 0.000) 4.287 23.456 ( -1.270 -5.887 0.000) 6.022 24.394 ( 3.879 11.454 0.000) 12.093 25.324 ( -5.397 -3.113 0.000) 6.231 25.396 ( -0.737 -21.414 0.000) 21.427 26.022 ( -2.238 -12.731 0.000) 12.926 26.339 ( -2.141 -6.564 0.000) 6.904 27.813 ( 4.998 11.619 0.000) 12.649 29.020 ( 10.903 -1.715 0.000) 11.038 32.923 ( -6.337 -0.367 0.000) 6.347 35.936 ( 3.645 27.637 0.000) 27.876 ======================= Grid point 40 (29/216) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( 0.710 12.317 0.000) 12.337 4.889 ( -2.846 9.461 0.000) 9.880 5.248 ( 2.090 -8.132 0.000) 8.396 5.572 ( -1.642 -20.868 0.000) 20.932 6.012 ( 7.263 10.267 0.000) 12.577 6.240 ( 1.399 11.245 0.000) 11.332 7.055 ( -4.923 -35.796 0.000) 36.133 7.669 ( 10.494 16.572 0.000) 19.615 8.497 ( 2.695 11.554 0.000) 11.864 8.660 ( 9.125 -26.811 0.000) 28.321 8.931 ( -16.377 4.084 0.000) 16.879 9.390 ( -6.392 18.713 0.000) 19.774 10.166 ( 14.159 4.073 0.000) 14.733 11.088 ( 11.506 18.722 0.000) 21.975 11.447 ( -23.798 8.603 0.000) 25.305 12.158 ( -8.193 -21.283 0.000) 22.805 12.508 ( 17.653 5.462 0.000) 18.479 13.168 ( 12.521 -16.978 0.000) 21.096 13.668 ( -10.126 3.655 0.000) 10.766 14.277 ( 0.082 6.535 0.000) 6.536 14.889 ( 8.619 2.573 0.000) 8.995 15.438 ( -19.449 -15.254 0.000) 24.717 18.446 ( 0.912 0.331 0.000) 0.970 18.690 ( -1.560 13.302 0.000) 13.393 19.659 ( -1.394 -13.734 0.000) 13.805 20.746 ( 3.916 -1.526 0.000) 4.203 23.550 ( -0.840 -6.483 0.000) 6.537 24.246 ( 2.109 10.147 0.000) 10.364 25.207 ( -5.635 4.680 0.000) 7.325 25.826 ( 1.704 -23.201 0.000) 23.263 26.184 ( -0.906 -8.983 0.000) 9.028 26.474 ( -0.573 -11.309 0.000) 11.323 27.571 ( 0.688 19.691 0.000) 19.703 29.232 ( 8.941 -11.206 0.000) 14.336 32.855 ( -6.162 1.070 0.000) 6.254 35.489 ( 1.803 29.500 0.000) 29.555 ======================= Grid point 41 (30/216) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.304 ( 0.000 1.942 0.000) 1.942 4.553 ( 0.000 27.889 0.000) 27.889 5.257 ( 0.000 11.360 0.000) 11.360 5.767 ( 0.000 12.332 0.000) 12.332 5.887 ( -0.000 -15.000 0.000) 15.000 6.197 ( -0.000 -1.718 0.000) 1.718 7.411 ( 0.000 14.036 0.000) 14.036 7.757 ( -0.000 -45.514 0.000) 45.514 8.172 ( 0.000 20.386 0.000) 20.386 8.728 ( 0.000 45.331 0.000) 45.331 8.751 ( 0.000 6.302 0.000) 6.302 9.471 ( -0.000 -41.871 0.000) 41.871 10.194 ( 0.000 6.089 0.000) 6.089 10.913 ( 0.000 21.300 0.000) 21.300 10.950 ( 0.000 13.218 0.000) 13.218 12.316 ( 0.000 18.850 0.000) 18.850 12.635 ( -0.000 -33.477 0.000) 33.477 13.447 ( 0.000 9.780 0.000) 9.780 13.743 ( -0.000 -25.623 0.000) 25.623 14.113 ( 0.000 10.554 0.000) 10.554 14.938 ( -0.000 -2.880 0.000) 2.880 15.622 ( -0.000 -17.793 0.000) 17.793 18.465 ( 0.000 12.468 0.000) 12.468 18.490 ( -0.000 -5.618 0.000) 5.618 19.832 ( -0.000 -7.369 0.000) 7.369 20.817 ( -0.000 -4.453 0.000) 4.453 23.651 ( -0.000 -6.179 0.000) 6.179 24.095 ( 0.000 9.395 0.000) 9.395 25.091 ( 0.000 5.648 0.000) 5.648 26.152 ( -0.000 -15.145 0.000) 15.145 26.302 ( -0.000 -5.484 0.000) 5.484 26.700 ( -0.000 -15.525 0.000) 15.525 27.222 ( 0.000 21.301 0.000) 21.301 29.508 ( -0.000 -14.967 0.000) 14.967 32.793 ( 0.000 1.782 0.000) 1.782 35.005 ( 0.000 29.659 0.000) 29.659 ======================= Grid point 48 (31/216) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 3.420 0.000 0.000) 3.420 3.580 ( 34.156 0.000 0.000) 34.156 5.375 ( -17.674 -0.000 0.000) 17.674 5.473 ( -5.469 -0.000 0.000) 5.469 6.441 ( 10.384 0.000 0.000) 10.384 6.643 ( -2.891 -0.000 0.000) 2.891 6.747 ( -0.387 -0.000 0.000) 0.387 6.755 ( 0.792 0.000 0.000) 0.792 8.044 ( 24.393 0.000 0.000) 24.393 8.914 ( 53.030 0.000 0.000) 53.030 9.086 ( 22.702 0.000 0.000) 22.702 9.914 ( -25.980 -0.000 0.000) 25.980 10.452 ( 10.753 0.000 0.000) 10.753 10.471 ( -17.747 -0.000 0.000) 17.747 10.597 ( 13.060 0.000 0.000) 13.060 12.172 ( 12.510 0.000 0.000) 12.510 12.811 ( -2.085 -0.000 0.000) 2.085 13.325 ( 4.883 0.000 0.000) 4.883 13.776 ( -20.170 -0.000 0.000) 20.170 13.961 ( 11.107 0.000 0.000) 11.107 15.077 ( -47.321 -0.000 0.000) 47.321 17.067 ( -6.398 -0.000 0.000) 6.398 17.293 ( 0.635 0.000 0.000) 0.635 19.248 ( -1.116 -0.000 0.000) 1.116 19.378 ( -4.761 -0.000 0.000) 4.761 20.739 ( -2.844 -0.000 0.000) 2.844 23.326 ( -0.953 -0.000 0.000) 0.953 24.443 ( 0.526 0.000 0.000) 0.526 24.971 ( 2.531 0.000 0.000) 2.531 25.309 ( 3.459 0.000 0.000) 3.459 25.419 ( -1.967 -0.000 0.000) 1.967 26.271 ( -7.182 -0.000 0.000) 7.182 27.833 ( 9.588 0.000 0.000) 9.588 29.161 ( 11.055 0.000 0.000) 11.055 32.937 ( -1.537 -0.000 0.000) 1.537 36.778 ( -3.232 -0.000 0.000) 3.232 ======================= Grid point 49 (32/216) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -2.616 -40.786 0.000) 40.870 4.033 ( 27.726 -17.839 0.000) 32.969 5.235 ( -16.358 -2.865 0.000) 16.607 5.327 ( -1.243 12.852 0.000) 12.912 6.401 ( 4.914 11.156 0.000) 12.191 6.559 ( -1.810 4.796 0.000) 5.127 6.739 ( -2.192 -0.202 0.000) 2.201 6.912 ( 1.165 -14.444 0.000) 14.491 8.269 ( 27.983 3.233 0.000) 28.170 9.157 ( 10.298 0.137 0.000) 10.299 9.494 ( 18.430 6.357 0.000) 19.495 9.586 ( 4.441 4.599 0.000) 6.394 10.271 ( -11.731 1.965 0.000) 11.894 10.422 ( -19.399 -12.771 0.000) 23.226 11.156 ( 44.041 -16.687 0.000) 47.097 12.127 ( 6.686 14.734 0.000) 16.180 12.866 ( -3.427 -7.640 0.000) 8.373 13.128 ( -11.139 18.996 0.000) 22.021 13.768 ( -2.482 -9.185 0.000) 9.514 14.086 ( 6.330 -3.690 0.000) 7.327 14.682 ( -42.813 -8.923 0.000) 43.733 16.443 ( -3.440 41.373 0.000) 41.516 17.812 ( 0.108 -33.701 0.000) 33.701 19.212 ( -0.343 3.881 0.000) 3.896 19.307 ( -4.487 2.719 0.000) 5.247 20.717 ( -0.592 0.276 0.000) 0.653 23.329 ( -0.741 -1.533 0.000) 1.703 24.581 ( 0.661 -15.094 0.000) 15.109 24.836 ( 2.507 13.275 0.000) 13.509 25.387 ( -2.279 0.277 0.000) 2.296 25.522 ( 0.944 -15.252 0.000) 15.281 26.222 ( -4.813 -1.395 0.000) 5.011 27.925 ( 6.995 -1.192 0.000) 7.096 29.191 ( 7.806 6.757 0.000) 10.324 32.923 ( -1.746 0.106 0.000) 1.750 36.645 ( -1.163 12.527 0.000) 12.581 ======================= Grid point 50 (33/216) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( -3.395 -49.511 0.000) 49.627 4.640 ( 20.231 -25.206 0.000) 32.321 5.035 ( 0.185 19.650 0.000) 19.651 5.173 ( -15.230 -6.355 0.000) 16.503 6.282 ( 9.448 9.875 0.000) 13.666 6.463 ( -5.073 1.573 0.000) 5.312 6.667 ( -3.812 5.790 0.000) 6.933 7.251 ( 2.612 -24.818 0.000) 24.955 8.452 ( 30.380 10.163 0.000) 32.035 9.011 ( -20.493 13.450 0.000) 24.512 9.193 ( -8.440 7.841 0.000) 11.520 9.853 ( 21.900 6.703 0.000) 22.903 10.199 ( 1.416 -0.114 0.000) 1.421 10.613 ( -10.037 -28.424 0.000) 30.144 11.757 ( 20.170 5.928 0.000) 21.023 12.033 ( 19.888 -12.727 0.000) 23.612 12.599 ( -11.874 26.887 0.000) 29.392 12.907 ( -14.892 -4.164 0.000) 15.463 13.828 ( -3.419 -0.235 0.000) 3.427 14.198 ( 2.239 -5.242 0.000) 5.700 14.669 ( -14.666 -21.944 0.000) 26.394 15.754 ( -3.440 36.871 0.000) 37.031 18.275 ( 0.881 -19.827 0.000) 19.846 19.099 ( -0.262 9.670 0.000) 9.674 19.256 ( -3.191 -3.505 0.000) 4.740 20.723 ( 1.019 -0.523 0.000) 1.145 23.367 ( -0.492 -3.816 0.000) 3.848 24.627 ( 2.252 13.020 0.000) 13.213 24.939 ( -0.153 -25.337 0.000) 25.338 25.335 ( -2.728 2.660 0.000) 3.810 25.781 ( -0.201 -14.869 0.000) 14.870 26.234 ( -1.774 -4.032 0.000) 4.405 27.976 ( 3.602 2.655 0.000) 4.475 29.129 ( 4.475 6.014 0.000) 7.496 32.896 ( -1.892 1.104 0.000) 2.190 36.362 ( 0.509 21.029 0.000) 21.035 ======================= Grid point 51 (34/216) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.700 ( 0.000 19.504 0.000) 19.504 4.716 ( -0.000 -29.954 0.000) 29.954 5.164 ( -0.000 -5.833 0.000) 5.833 5.171 ( -0.000 -22.370 0.000) 22.370 6.202 ( 0.000 8.176 0.000) 8.176 6.476 ( 0.000 13.550 0.000) 13.550 6.550 ( -0.000 -18.462 0.000) 18.462 7.749 ( -0.000 -27.156 0.000) 27.156 8.366 ( 0.000 14.144 0.000) 14.144 8.728 ( 0.000 6.057 0.000) 6.057 8.971 ( 0.000 11.434 0.000) 11.434 9.731 ( 0.000 17.510 0.000) 17.510 10.249 ( -0.000 -1.040 0.000) 1.040 11.080 ( -0.000 -27.969 0.000) 27.969 11.548 ( 0.000 17.598 0.000) 17.598 12.094 ( 0.000 20.061 0.000) 20.061 12.697 ( -0.000 -33.062 0.000) 33.062 12.760 ( 0.000 6.096 0.000) 6.096 13.747 ( 0.000 7.270 0.000) 7.270 14.292 ( -0.000 -3.759 0.000) 3.759 14.999 ( -0.000 -22.251 0.000) 22.251 15.202 ( 0.000 25.252 0.000) 25.252 18.451 ( -0.000 -2.426 0.000) 2.426 18.906 ( 0.000 12.949 0.000) 12.949 19.401 ( -0.000 -14.627 0.000) 14.627 20.743 ( -0.000 -0.978 0.000) 0.978 23.444 ( -0.000 -5.690 0.000) 5.690 24.434 ( 0.000 11.510 0.000) 11.510 25.254 ( 0.000 3.424 0.000) 3.424 25.400 ( -0.000 -27.395 0.000) 27.395 26.003 ( -0.000 -12.195 0.000) 12.195 26.319 ( -0.000 -7.159 0.000) 7.159 27.864 ( 0.000 13.321 0.000) 13.321 29.132 ( -0.000 -4.178 0.000) 4.178 32.858 ( 0.000 1.922 0.000) 1.922 35.968 ( 0.000 26.792 0.000) 26.792 ======================= Grid point 61 (35/216) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -2.823 -0.000 0.000) 2.823 4.104 ( 17.884 0.000 0.000) 17.884 5.062 ( -12.343 -0.000 0.000) 12.343 5.444 ( 0.455 0.000 0.000) 0.455 6.550 ( 2.524 0.000 0.000) 2.524 6.613 ( -0.371 -0.000 0.000) 0.371 6.722 ( -1.394 -0.000 0.000) 1.394 6.744 ( -0.880 -0.000 0.000) 0.880 8.550 ( 24.467 0.000 0.000) 24.467 9.264 ( 9.683 0.000 0.000) 9.683 9.400 ( -24.539 -0.000 0.000) 24.539 9.896 ( 25.886 0.000 0.000) 25.886 10.123 ( -12.616 -0.000 0.000) 12.616 10.218 ( -7.038 -0.000 0.000) 7.038 11.422 ( 37.390 0.000 0.000) 37.390 12.362 ( 5.781 0.000 0.000) 5.781 12.645 ( -14.013 -0.000 0.000) 14.013 13.374 ( 0.836 0.000 0.000) 0.836 13.617 ( 8.304 0.000 0.000) 8.304 14.114 ( 4.281 0.000 0.000) 4.281 14.150 ( -43.801 -0.000 0.000) 43.801 16.999 ( -1.429 -0.000 0.000) 1.429 17.299 ( 0.114 0.000 0.000) 0.114 19.252 ( 1.380 0.000 0.000) 1.380 19.299 ( -3.371 -0.000 0.000) 3.371 20.710 ( -0.589 -0.000 0.000) 0.589 23.313 ( -0.343 -0.000 0.000) 0.343 24.451 ( 0.251 0.000 0.000) 0.251 25.006 ( 0.981 0.000 0.000) 0.981 25.359 ( 1.848 0.000 0.000) 1.848 25.389 ( -1.339 -0.000 0.000) 1.339 26.171 ( -2.853 -0.000 0.000) 2.853 27.963 ( 3.593 0.000 0.000) 3.593 29.309 ( 4.001 0.000 0.000) 4.001 32.915 ( -0.642 -0.000 0.000) 0.642 36.734 ( -1.232 -0.000 0.000) 1.232 ======================= Grid point 62 (36/216) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( -0.000 -40.472 0.000) 40.472 4.356 ( -0.000 -18.690 0.000) 18.690 5.018 ( -0.000 -2.428 0.000) 2.428 5.329 ( 0.000 13.468 0.000) 13.468 6.490 ( 0.000 7.435 0.000) 7.435 6.496 ( 0.000 7.755 0.000) 7.755 6.716 ( 0.000 1.150 0.000) 1.150 6.921 ( -0.000 -16.338 0.000) 16.338 8.713 ( -0.000 -2.176 0.000) 2.176 9.109 ( 0.000 16.842 0.000) 16.842 9.281 ( 0.000 4.335 0.000) 4.335 10.055 ( 0.000 3.812 0.000) 3.812 10.149 ( -0.000 -18.079 0.000) 18.079 10.195 ( -0.000 -1.385 0.000) 1.385 11.783 ( -0.000 -17.998 0.000) 17.998 12.149 ( 0.000 18.918 0.000) 18.918 12.720 ( -0.000 -9.449 0.000) 9.449 13.033 ( 0.000 29.103 0.000) 29.103 13.787 ( -0.000 -1.762 0.000) 1.762 14.149 ( -0.000 -27.259 0.000) 27.259 14.152 ( -0.000 -2.185 0.000) 2.185 16.416 ( 0.000 42.347 0.000) 42.347 17.812 ( -0.000 -34.448 0.000) 34.448 19.228 ( 0.000 5.431 0.000) 5.431 19.245 ( 0.000 2.156 0.000) 2.156 20.714 ( -0.000 -0.718 0.000) 0.718 23.322 ( -0.000 -1.445 0.000) 1.445 24.587 ( -0.000 -15.690 0.000) 15.690 24.861 ( 0.000 13.358 0.000) 13.358 25.363 ( 0.000 1.764 0.000) 1.764 25.532 ( -0.000 -14.576 0.000) 14.576 26.174 ( -0.000 -2.052 0.000) 2.052 27.994 ( -0.000 -1.294 0.000) 1.294 29.268 ( 0.000 6.613 0.000) 6.613 32.906 ( 0.000 0.804 0.000) 0.804 36.633 ( 0.000 11.335 0.000) 11.335 ======================= Grid point 125 (37/216) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 0.000 52.496) 52.496 1.276 ( 0.000 0.000 61.154) 61.154 2.206 ( 0.000 0.000 105.100) 105.100 5.857 ( 0.000 0.000 -2.631) 2.631 6.029 ( 0.000 0.000 -7.635) 7.635 6.495 ( 0.000 0.000 -11.963) 11.963 6.605 ( 0.000 0.000 -4.234) 4.234 7.160 ( 0.000 0.000 8.769) 8.769 7.385 ( 0.000 0.000 -2.799) 2.799 8.088 ( 0.000 0.000 13.044) 13.044 8.610 ( 0.000 0.000 1.862) 1.862 8.713 ( 0.000 0.000 -3.348) 3.348 9.204 ( 0.000 0.000 -17.199) 17.199 11.495 ( 0.000 0.000 -6.976) 6.976 12.006 ( 0.000 0.000 -28.910) 28.910 12.320 ( 0.000 0.000 -23.496) 23.496 12.722 ( 0.000 0.000 8.355) 8.355 12.900 ( 0.000 0.000 0.777) 0.777 13.120 ( 0.000 0.000 8.970) 8.970 15.127 ( 0.000 0.000 6.638) 6.638 15.438 ( 0.000 0.000 -2.056) 2.056 17.429 ( 0.000 0.000 27.820) 27.820 18.104 ( 0.000 0.000 15.785) 15.785 18.796 ( 0.000 0.000 -43.346) 43.346 20.176 ( 0.000 0.000 22.724) 22.724 21.330 ( 0.000 0.000 -2.663) 2.663 24.081 ( 0.000 0.000 -1.365) 1.365 24.429 ( 0.000 0.000 -3.753) 3.753 24.736 ( 0.000 0.000 1.429) 1.429 25.091 ( 0.000 0.000 -0.610) 0.610 26.891 ( 0.000 0.000 10.723) 10.723 26.931 ( 0.000 0.000 -1.827) 1.827 27.081 ( 0.000 0.000 -2.233) 2.233 29.814 ( 0.000 0.000 -4.902) 4.902 32.959 ( 0.000 0.000 -0.766) 0.766 33.010 ( 0.000 0.000 -0.797) 0.797 ======================= Grid point 126 (38/216) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 43.201 -25.459 36.352) 61.934 1.807 ( 20.903 -31.686 51.091) 63.649 2.802 ( 25.398 -60.547 71.537) 97.100 5.893 ( 1.631 -2.323 -3.244) 4.310 6.012 ( -0.917 3.765 -8.139) 9.014 6.380 ( -0.129 7.924 -8.742) 11.800 6.589 ( -1.815 0.565 5.959) 6.255 7.087 ( -0.815 4.929 1.575) 5.238 7.371 ( 1.179 3.455 -4.246) 5.600 8.275 ( 4.445 -5.965 2.823) 7.957 8.475 ( -21.329 -13.163 3.349) 25.287 8.838 ( -6.460 -11.996 -2.001) 13.771 9.445 ( 35.718 -4.890 -12.459) 38.143 11.449 ( -15.669 5.379 -13.868) 21.605 11.664 ( 4.835 21.841 -21.176) 30.803 12.362 ( -12.471 13.400 11.264) 21.493 12.498 ( 3.043 -0.036 1.714) 3.493 12.864 ( 6.094 -16.227 -18.237) 25.160 13.583 ( -18.675 -28.031 -2.989) 33.814 14.959 ( -7.895 7.761 4.070) 11.795 15.472 ( 22.121 20.251 4.859) 30.382 17.444 ( 5.518 2.089 20.961) 21.775 18.076 ( -1.526 0.546 17.820) 17.893 18.778 ( -0.541 2.650 -44.382) 44.464 20.179 ( -3.166 -1.495 22.137) 22.412 21.264 ( -7.658 3.082 -1.578) 8.405 23.954 ( -12.812 9.688 15.385) 22.242 24.230 ( 12.569 22.830 14.205) 29.681 24.485 ( 0.991 -6.029 -3.642) 7.113 25.434 ( -2.027 -16.855 -11.978) 20.777 26.731 ( -25.208 -2.502 7.182) 26.330 26.872 ( -4.528 0.081 8.637) 9.753 27.147 ( 3.540 -4.204 -0.274) 5.503 29.376 ( -85.810 -26.651 9.773) 90.383 33.038 ( 3.216 -2.578 -1.706) 4.460 33.826 ( 125.377 23.697 -37.618) 133.026 ======================= Grid point 127 (39/216) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 34.255 -33.162 23.364) 53.094 2.640 ( 31.708 -36.633 30.544) 57.274 4.256 ( 35.310 -68.979 39.508) 86.981 5.764 ( -4.312 15.525 -7.593) 17.812 6.001 ( 2.116 -2.989 -1.848) 4.102 6.316 ( 7.469 5.088 0.281) 9.042 6.547 ( -3.708 0.206 7.731) 8.577 7.085 ( -2.317 -5.904 -5.778) 8.580 7.310 ( 0.865 4.165 -3.091) 5.258 8.231 ( -20.827 -8.931 -4.695) 23.142 8.665 ( 2.311 -10.639 3.351) 11.391 9.055 ( 0.528 -17.478 1.453) 17.546 9.916 ( 31.930 -7.467 -9.483) 34.136 10.996 ( -5.282 22.977 -19.366) 30.510 11.534 ( -4.007 3.989 -4.614) 7.297 12.169 ( -12.213 -2.045 0.682) 12.402 12.462 ( 7.633 7.408 6.626) 12.532 13.250 ( 6.817 -19.403 -29.657) 36.090 13.701 ( -21.980 -11.724 4.345) 25.287 14.717 ( -3.501 16.801 1.996) 17.278 15.233 ( 3.137 18.457 12.539) 22.533 17.334 ( 1.101 16.724 8.945) 18.998 18.142 ( 5.075 -6.386 20.365) 21.938 18.697 ( 0.370 6.684 -41.902) 42.433 20.164 ( -5.130 -1.849 23.549) 24.172 21.096 ( -12.878 4.850 -0.264) 13.763 23.756 ( -5.887 1.721 18.024) 19.039 24.121 ( 9.138 8.854 3.133) 13.104 24.643 ( 4.938 -9.531 -3.581) 11.316 25.632 ( -3.106 -11.832 -9.940) 15.762 26.601 ( -15.776 -4.384 4.525) 16.987 26.807 ( -6.455 1.500 8.205) 10.547 27.276 ( 7.300 -4.826 1.544) 8.887 29.111 ( -52.376 -17.873 2.717) 55.408 33.136 ( 2.597 -5.541 -1.719) 6.356 34.323 ( 78.306 28.012 -23.206) 86.342 ======================= Grid point 128 (40/216) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 30.663 -24.571 13.024) 41.395 3.549 ( 23.893 -40.297 16.626) 49.710 5.226 ( 17.418 7.192 5.556) 19.647 5.679 ( 0.329 -21.109 8.868) 22.899 5.995 ( -3.381 2.740 2.497) 5.017 6.410 ( 0.810 4.046 0.082) 4.127 6.639 ( 17.270 -28.101 11.538) 34.944 7.207 ( -3.741 -11.975 -6.063) 13.934 7.283 ( 4.641 0.358 -3.252) 5.678 8.235 ( -22.441 -15.459 -2.109) 27.332 8.878 ( 16.306 -6.019 -0.058) 17.382 9.301 ( -3.486 -7.451 2.571) 8.619 10.019 ( 2.526 11.124 -11.371) 16.107 10.952 ( 19.486 -6.031 -13.419) 24.417 11.405 ( 1.317 5.869 8.486) 10.401 12.146 ( -9.473 -6.559 -7.474) 13.734 12.454 ( 7.837 1.700 1.255) 8.117 13.531 ( -14.453 -1.082 -7.842) 16.479 13.608 ( -6.608 -9.951 -10.941) 16.198 14.335 ( -2.686 23.885 4.645) 24.480 15.006 ( -4.937 7.610 6.578) 11.205 16.984 ( -4.258 20.882 3.933) 21.672 18.293 ( 5.552 -2.669 10.921) 12.539 18.588 ( 3.223 7.351 -31.333) 32.345 20.153 ( -5.407 -3.114 24.019) 24.816 20.880 ( -13.636 5.110 2.385) 14.756 23.738 ( -3.650 -3.824 11.777) 12.909 24.066 ( 6.346 6.994 2.536) 9.779 24.887 ( 10.041 -11.000 -3.991) 15.419 25.782 ( -5.471 -11.001 -10.780) 16.345 26.546 ( -8.808 -2.716 3.343) 9.805 26.700 ( -7.143 3.330 8.638) 11.693 27.437 ( 10.858 -3.810 3.020) 11.897 28.914 ( -35.676 -8.960 0.237) 36.785 33.257 ( 2.030 -5.971 -1.651) 6.519 34.522 ( 48.406 19.627 -13.655) 53.989 ======================= Grid point 129 (41/216) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( 19.294 -14.788 8.148) 25.639 4.383 ( 15.684 -34.651 4.364) 38.284 5.039 ( 9.332 18.167 5.870) 21.251 5.782 ( -1.274 5.580 -2.830) 6.385 6.010 ( -3.575 -6.750 5.637) 9.494 6.258 ( -4.800 7.332 0.449) 8.775 7.189 ( 2.758 -4.820 0.753) 5.605 7.386 ( -1.979 -17.370 -8.391) 19.392 7.732 ( 23.395 -30.587 8.680) 39.475 8.327 ( -14.213 -21.634 1.359) 25.921 8.935 ( -8.286 17.525 -1.175) 19.421 9.355 ( 27.926 -7.045 4.895) 29.214 10.015 ( -4.304 -8.667 -6.586) 11.705 10.960 ( -1.150 13.482 4.492) 14.257 11.657 ( 22.918 -14.470 0.099) 27.104 12.168 ( -3.167 -3.159 -9.637) 10.624 12.529 ( 1.017 -0.993 -0.388) 1.473 13.207 ( -23.787 4.574 7.924) 25.486 13.699 ( 2.184 5.818 -15.727) 16.911 13.951 ( -6.977 14.934 1.408) 16.543 14.891 ( -4.361 0.663 -3.146) 5.418 16.637 ( -3.463 15.053 0.339) 15.450 18.288 ( 0.773 5.345 -12.094) 13.245 18.551 ( 4.862 2.693 -8.205) 9.910 20.160 ( -4.554 -3.272 22.774) 23.454 20.694 ( -9.246 3.481 6.916) 12.060 23.787 ( -3.065 -5.656 8.168) 10.397 24.008 ( 4.576 6.345 3.172) 8.442 25.183 ( 13.850 -10.425 -5.139) 18.081 25.870 ( -9.237 -7.274 -13.128) 17.623 26.504 ( -6.560 -0.388 4.963) 8.235 26.584 ( -3.730 3.023 8.724) 9.958 27.600 ( 12.003 -2.304 4.278) 12.950 28.726 ( -24.528 -3.607 -0.126) 24.792 33.360 ( 1.231 -4.415 -1.494) 4.821 34.627 ( 27.183 11.218 -9.656) 30.952 ======================= Grid point 130 (42/216) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.214 ( 8.250 -10.307 4.118) 13.829 4.646 ( -1.469 9.093 2.860) 9.644 5.162 ( 12.159 -18.152 3.106) 22.068 5.631 ( -3.252 10.300 1.637) 10.925 6.058 ( -0.946 -1.974 -1.008) 2.410 6.129 ( -2.620 3.006 -0.425) 4.010 7.230 ( 1.182 -0.267 -0.076) 1.214 7.705 ( -0.692 -21.514 -7.252) 22.714 8.029 ( 4.165 0.498 1.405) 4.424 8.287 ( -10.868 19.051 -7.820) 23.286 8.963 ( 7.911 -17.528 13.567) 23.535 9.874 ( 12.250 -22.161 7.503) 26.410 10.060 ( 3.987 1.360 -2.363) 4.830 10.690 ( -2.168 15.378 8.490) 17.699 11.961 ( -3.387 -6.147 1.009) 7.091 12.222 ( 3.642 -1.758 -6.387) 7.560 12.378 ( -0.790 8.414 4.545) 9.596 13.181 ( -6.155 -12.018 -8.959) 16.205 13.531 ( 8.468 10.709 -0.254) 13.654 13.687 ( -12.457 8.417 -1.570) 15.116 14.884 ( -1.073 -1.522 -11.159) 11.314 16.446 ( -1.037 5.237 -2.414) 5.859 18.210 ( 0.089 3.044 -15.977) 16.264 18.552 ( 1.505 1.063 -4.453) 4.819 20.169 ( -1.927 -1.417 21.299) 21.433 20.598 ( -2.934 1.133 10.949) 11.392 23.854 ( -2.521 -5.123 6.163) 8.401 23.946 ( 2.995 5.178 4.103) 7.253 25.460 ( 11.358 -6.098 -6.972) 14.656 25.832 ( -9.792 -0.514 -13.185) 16.432 26.445 ( -2.856 0.629 7.550) 8.097 26.543 ( -0.439 0.518 6.939) 6.972 27.721 ( 6.191 -0.799 5.113) 8.069 28.589 ( -10.000 -0.834 -0.081) 10.035 33.419 ( 0.402 -1.613 -1.363) 2.150 34.677 ( 8.844 3.641 -8.220) 12.611 ======================= Grid point 137 (43/216) ======================= q-point: ( 0.09 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 33.046 0.000 47.585) 57.934 2.019 ( 40.699 0.000 57.129) 70.143 2.777 ( 78.742 0.000 58.508) 98.100 5.907 ( 3.931 0.000 -2.870) 4.867 6.004 ( -2.696 -0.000 -5.968) 6.549 6.476 ( -1.523 -0.000 -11.596) 11.696 6.540 ( -1.204 -0.000 2.503) 2.778 7.142 ( -2.094 -0.000 9.063) 9.302 7.417 ( -0.647 -0.000 -11.739) 11.757 8.097 ( -32.559 -0.000 -2.570) 32.660 8.337 ( 21.810 0.000 8.388) 23.367 8.733 ( 3.125 0.000 -0.675) 3.197 9.743 ( 35.489 0.000 -12.787) 37.722 11.299 ( -16.974 -0.000 -6.254) 18.090 11.923 ( -14.538 -0.000 -19.410) 24.251 12.368 ( -2.142 -0.000 -6.144) 6.506 12.497 ( -14.249 -0.000 7.314) 16.016 12.663 ( -0.170 -0.000 -10.213) 10.215 13.217 ( 8.897 0.000 9.897) 13.308 14.899 ( -12.398 -0.000 1.298) 12.465 15.990 ( 22.082 0.000 -11.995) 25.129 17.448 ( 1.826 0.000 26.368) 26.432 18.043 ( -7.070 -0.000 15.709) 17.227 18.792 ( -0.232 -0.000 -41.196) 41.197 20.122 ( -5.403 -0.000 21.753) 22.414 21.200 ( -11.321 -0.000 -2.420) 11.577 23.917 ( -13.460 -0.000 16.513) 21.304 24.429 ( 0.086 0.000 -2.678) 2.680 24.758 ( 2.067 0.000 0.142) 2.072 25.040 ( -2.682 -0.000 0.476) 2.723 26.184 ( -42.598 -0.000 36.565) 56.139 26.808 ( -6.632 -0.000 7.706) 10.167 27.190 ( 9.337 0.000 1.065) 9.397 28.599 ( -20.059 -0.000 18.955) 27.599 33.009 ( -0.139 -0.000 -0.382) 0.406 35.354 ( 94.156 0.000 -89.125) 129.649 ======================= Grid point 138 (44/216) ======================= q-point: ( 0.18 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 32.964 -26.778 37.307) 56.528 2.605 ( 38.989 -25.716 43.705) 63.965 3.896 ( 81.132 -31.527 34.546) 93.647 5.884 ( -4.266 5.127 -7.388) 9.954 5.992 ( -1.585 -0.622 -1.704) 2.409 6.425 ( 5.101 2.100 -6.256) 8.340 6.564 ( 0.342 0.923 4.852) 4.951 7.052 ( -3.335 4.389 2.937) 6.246 7.383 ( 0.795 2.881 -6.535) 7.186 7.853 ( -25.259 -5.243 -3.026) 25.974 8.628 ( 16.929 -7.737 1.407) 18.667 8.877 ( 11.149 -9.655 4.193) 15.333 10.108 ( 28.413 -4.972 -13.099) 31.680 11.088 ( -18.439 6.481 -7.136) 20.807 11.633 ( -9.718 7.927 -9.947) 16.006 12.123 ( -10.492 11.220 0.863) 15.385 12.503 ( -3.328 -4.750 0.923) 5.873 12.973 ( 5.378 -21.834 -26.011) 34.384 13.375 ( 0.760 -7.357 8.615) 11.354 14.748 ( -14.554 2.755 -0.624) 14.825 15.798 ( 9.285 32.018 5.096) 33.724 17.473 ( -6.650 4.176 12.321) 14.610 18.036 ( -1.419 -9.446 20.918) 22.995 18.772 ( 0.240 2.471 -39.113) 39.192 20.072 ( -7.676 -1.422 21.368) 22.749 21.048 ( -12.524 4.085 -1.760) 13.290 23.742 ( -8.630 4.330 21.313) 23.398 24.443 ( 8.635 18.064 1.865) 20.108 24.523 ( 3.416 -8.042 -1.674) 8.896 25.372 ( -3.761 -18.277 -11.006) 21.664 26.092 ( -28.434 -22.615 20.194) 41.566 26.741 ( -7.828 -0.039 7.160) 10.609 27.301 ( 10.953 -1.719 2.523) 11.371 28.595 ( -6.260 -6.923 5.090) 10.631 33.043 ( -0.634 -4.282 -0.162) 4.331 35.641 ( 55.830 37.368 -51.082) 84.396 ======================= Grid point 139 (45/216) ======================= q-point: ( 0.27 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 30.078 -34.450 22.905) 51.148 3.434 ( 39.885 -23.830 23.484) 52.060 5.122 ( 43.962 -35.604 23.283) 61.175 5.669 ( -4.464 12.563 -6.086) 14.656 5.995 ( -1.762 0.140 2.047) 2.704 6.464 ( 0.650 2.805 2.511) 3.821 6.572 ( 14.415 -3.740 3.604) 15.322 7.013 ( -4.338 -5.442 -3.047) 7.598 7.361 ( 6.088 2.514 -4.230) 7.828 7.818 ( -13.527 -12.403 -0.344) 18.356 8.882 ( 8.527 -9.294 -4.515) 13.397 9.210 ( 20.802 -9.153 7.909) 24.063 10.238 ( -2.469 11.362 -14.567) 18.638 10.941 ( 3.859 -5.415 -8.776) 11.011 11.534 ( 0.849 1.422 0.478) 1.724 11.901 ( -14.847 -0.566 -2.764) 15.113 12.537 ( 0.469 -1.730 -2.293) 2.910 13.319 ( -5.304 -10.800 -10.093) 15.705 13.447 ( 3.584 -6.033 -9.580) 11.875 14.519 ( -15.464 7.978 -1.165) 17.440 15.331 ( 5.212 29.713 11.766) 32.380 17.154 ( -19.891 14.338 5.357) 25.099 18.256 ( 5.481 -9.432 17.720) 20.809 18.717 ( 1.748 5.013 -34.274) 34.683 20.029 ( -8.882 -3.263 21.835) 23.798 20.851 ( -10.465 5.517 1.005) 11.873 23.658 ( -4.261 -1.081 15.980) 16.574 24.287 ( 7.761 11.603 0.454) 13.967 24.763 ( 6.899 -13.926 -2.810) 15.793 25.555 ( -4.541 -10.548 -9.595) 14.965 26.225 ( -19.999 -19.373 7.664) 28.879 26.658 ( -8.348 0.623 7.216) 11.052 27.455 ( 10.937 -3.839 3.728) 12.177 28.617 ( -4.490 -1.733 0.457) 4.835 33.124 ( -2.309 -6.831 -0.109) 7.211 35.474 ( 40.690 35.658 -25.509) 59.815 ======================= Grid point 140 (46/216) ======================= q-point: ( 0.36 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.868 ( 26.631 -24.200 8.876) 37.062 4.085 ( 28.871 -17.721 14.149) 36.712 5.446 ( 6.026 15.842 0.399) 16.954 5.697 ( -3.912 -16.258 7.791) 18.448 5.887 ( -6.791 5.869 3.212) 9.533 6.353 ( -0.786 8.121 1.760) 8.346 7.003 ( 5.034 -17.537 -4.092) 18.698 7.203 ( 7.394 -12.042 4.006) 14.688 7.565 ( 31.231 -20.050 3.369) 37.265 7.944 ( -3.908 -11.461 2.533) 12.371 9.020 ( -4.211 1.161 -5.187) 6.781 9.524 ( 21.792 -2.896 5.834) 22.744 9.967 ( -2.017 6.063 -10.138) 11.983 11.082 ( 2.300 0.576 -4.989) 5.524 11.577 ( -1.518 -7.279 3.521) 8.227 11.914 ( -8.577 -14.002 -4.953) 17.151 12.598 ( 7.363 -2.212 -4.885) 9.109 13.159 ( -12.762 11.289 9.684) 19.599 13.664 ( 2.424 -7.121 -24.521) 25.649 14.200 ( -9.064 14.468 -0.967) 17.100 14.977 ( 0.900 15.833 6.835) 17.269 16.726 ( -22.175 10.895 2.383) 24.822 18.356 ( 0.996 1.727 0.600) 2.082 18.665 ( 4.441 4.509 -18.922) 19.952 20.019 ( -8.530 -5.884 21.544) 23.906 20.693 ( -4.496 4.342 5.781) 8.514 23.673 ( -3.052 -4.387 11.658) 12.824 24.185 ( 5.864 8.965 0.704) 10.736 25.092 ( 10.294 -15.133 -4.339) 18.809 25.653 ( -7.542 -8.138 -9.117) 14.361 26.319 ( -13.405 -10.977 4.070) 17.798 26.577 ( -6.072 -0.093 6.878) 9.175 27.614 ( 7.472 -3.795 4.707) 9.612 28.585 ( -0.410 1.588 -0.459) 1.704 33.211 ( -5.205 -7.700 -0.122) 9.295 35.275 ( 28.897 28.819 -15.014) 43.485 ======================= Grid point 141 (47/216) ======================= q-point: ( 0.45 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.230 ( 15.564 -1.187 5.170) 16.443 4.650 ( 11.858 -17.032 1.673) 20.821 5.238 ( 11.479 14.460 7.221) 19.824 5.755 ( -2.504 5.324 1.231) 6.011 5.857 ( -10.570 -14.131 4.047) 18.105 6.203 ( -1.096 8.225 -2.430) 8.646 7.232 ( 1.501 -6.934 -0.772) 7.136 7.371 ( 1.848 -12.422 -2.709) 12.848 8.095 ( 10.622 -3.484 2.763) 11.515 8.375 ( 18.492 -15.667 -0.574) 24.243 8.808 ( 0.299 0.292 5.889) 5.904 9.649 ( -8.329 -5.749 1.476) 10.227 10.122 ( 19.652 -5.522 -2.693) 20.590 10.950 ( -1.431 15.272 4.376) 15.951 11.692 ( -9.952 -13.250 -0.542) 16.580 12.107 ( -3.239 -14.064 -2.697) 14.682 12.673 ( 9.082 14.282 -0.709) 16.941 12.896 ( -11.124 -5.571 1.177) 12.497 13.626 ( -4.184 6.986 -9.501) 12.513 13.966 ( 7.180 13.189 -5.320) 15.931 14.838 ( -1.635 0.944 -3.449) 3.932 16.410 ( -19.799 2.527 -0.385) 19.964 18.270 ( -2.212 5.717 -12.476) 13.901 18.629 ( 3.139 4.825 -7.805) 9.698 20.063 ( -5.130 -7.154 21.138) 22.898 20.626 ( 1.964 2.493 10.021) 10.512 23.730 ( -2.796 -5.652 8.941) 10.941 24.098 ( 4.615 7.741 1.664) 9.165 25.412 ( 6.387 -10.322 -6.989) 14.006 25.687 ( -6.402 -6.423 -8.514) 12.439 26.338 ( -8.695 -5.174 4.882) 11.234 26.564 ( -0.754 -1.999 5.329) 5.741 27.685 ( -2.392 -0.922 5.683) 6.234 28.604 ( 10.449 0.660 -0.492) 10.481 33.270 ( -8.970 -7.470 -0.224) 11.675 35.068 ( 17.569 23.506 -10.490) 31.165 ======================= Grid point 142 (48/216) ======================= q-point: (-0.45 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( 0.897 3.249 2.765) 4.359 4.671 ( 3.928 10.625 4.619) 12.233 5.315 ( 1.324 1.179 0.360) 1.808 5.607 ( 2.582 7.344 3.914) 8.713 5.969 ( -4.752 -8.361 -1.647) 9.757 6.123 ( 0.282 -0.173 -0.109) 0.349 7.258 ( 1.893 2.907 -0.398) 3.492 7.740 ( 4.083 -24.969 -1.724) 25.359 8.124 ( -4.126 21.447 -8.552) 23.455 8.263 ( 17.226 1.136 2.456) 17.437 9.111 ( 4.335 2.460 6.522) 8.209 9.798 ( -4.246 -24.763 7.822) 26.314 10.111 ( -14.418 18.108 2.056) 23.239 10.651 ( 0.627 10.403 5.633) 11.847 11.858 ( -4.544 -7.886 -0.066) 9.102 12.217 ( -5.701 -1.495 -0.431) 5.909 12.491 ( 12.209 7.530 -1.863) 14.465 13.007 ( -10.311 -17.153 -5.285) 20.699 13.528 ( 3.829 7.122 -5.816) 9.960 13.880 ( 17.382 7.912 -0.233) 19.100 14.864 ( -0.655 -3.596 -8.716) 9.451 16.268 ( -16.936 -6.670 -1.737) 18.285 18.180 ( -2.213 1.587 -17.629) 17.838 18.570 ( -0.202 3.789 -3.463) 5.137 20.143 ( -0.646 -5.325 21.424) 22.085 20.643 ( 6.801 0.530 10.582) 12.590 23.798 ( -2.894 -5.595 6.954) 9.383 24.016 ( 3.825 6.982 3.111) 8.548 25.411 ( -13.158 2.763 -6.615) 14.985 25.862 ( 9.980 -8.521 -11.346) 17.348 26.357 ( -4.735 -5.379 5.097) 8.794 26.607 ( 4.822 -0.398 6.140) 7.818 27.605 ( -12.487 0.888 6.373) 14.047 28.772 ( 22.760 -1.063 -0.758) 22.798 33.282 ( -13.257 -6.684 -0.488) 14.855 34.826 ( 6.080 19.620 -8.318) 22.161 ======================= Grid point 143 (49/216) ======================= q-point: (-0.36 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.076 ( -4.180 20.765 6.200) 22.070 4.633 ( -5.634 -1.265 2.391) 6.250 4.937 ( -9.369 26.449 4.682) 28.447 5.685 ( 2.496 -6.933 -1.292) 7.482 6.065 ( 1.118 -3.054 0.652) 3.317 6.182 ( 3.045 -5.558 1.915) 6.621 7.214 ( -0.436 2.660 -0.393) 2.724 7.722 ( 0.006 20.242 -10.445) 22.778 8.049 ( 3.868 14.043 5.621) 15.613 8.506 ( 6.746 -20.424 -0.790) 21.524 8.903 ( 1.316 14.134 2.574) 14.426 9.352 ( -20.392 26.391 7.230) 34.126 10.241 ( 12.737 2.551 -3.171) 13.372 10.648 ( -7.395 -17.658 10.752) 21.957 11.605 ( -31.271 10.186 -3.537) 33.078 12.114 ( -6.607 4.060 -2.102) 8.034 12.713 ( 22.619 0.727 -3.872) 22.959 13.240 ( -4.012 -17.250 -9.907) 20.294 13.516 ( 14.294 -2.640 5.717) 15.620 13.990 ( 12.592 1.100 -4.582) 13.445 14.921 ( 3.654 -2.005 -4.542) 6.164 16.315 ( -13.665 -17.023 0.361) 21.833 18.190 ( -0.673 -4.333 -21.918) 22.352 18.502 ( -4.279 1.960 0.227) 4.712 20.208 ( 1.954 -1.445 23.118) 23.245 20.744 ( 10.698 -2.595 7.137) 13.119 23.852 ( -2.361 -3.509 5.170) 6.680 23.945 ( 2.411 4.859 5.259) 7.555 25.189 ( -13.814 6.909 -4.665) 16.135 26.027 ( 8.152 0.574 -15.865) 17.846 26.429 ( -2.046 -7.120 4.815) 8.835 26.671 ( 10.317 1.109 9.341) 13.961 27.455 ( -16.526 -0.492 5.875) 17.546 29.053 ( 31.838 -0.814 -1.690) 31.893 33.235 ( -18.013 -5.816 -0.938) 18.952 34.531 ( -5.460 16.598 -7.135) 18.874 ======================= Grid point 144 (50/216) ======================= q-point: (-0.27 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( -11.495 32.163 12.657) 36.425 4.099 ( -12.341 42.565 5.682) 44.681 4.855 ( -9.263 -15.660 4.738) 18.801 5.839 ( 4.698 -6.820 -2.321) 8.601 6.052 ( 2.137 5.605 5.252) 7.973 6.329 ( 1.272 -5.258 1.719) 5.676 7.120 ( -4.723 24.699 7.440) 26.224 7.287 ( -11.673 23.922 2.543) 26.739 7.496 ( -0.076 21.018 -2.867) 21.213 8.619 ( -1.608 11.215 -3.177) 11.767 8.887 ( 6.045 -0.316 -1.025) 6.139 9.293 ( 19.235 -15.006 -1.889) 24.469 10.047 ( -0.945 17.788 -3.920) 18.239 10.736 ( -33.908 0.941 -5.750) 34.405 11.352 ( 4.640 -8.179 9.602) 13.440 12.014 ( -14.675 -5.390 -2.343) 15.808 12.662 ( 8.950 17.203 -9.233) 21.478 13.546 ( 0.130 -13.042 -17.095) 21.502 13.788 ( 20.182 -5.784 8.145) 22.519 14.054 ( 2.140 -4.344 -2.157) 5.301 15.015 ( 7.872 -2.500 3.509) 8.974 16.566 ( -8.875 -25.679 4.981) 27.622 18.267 ( -0.366 -2.106 -7.292) 7.599 18.442 ( -6.103 -3.482 -15.402) 16.929 20.229 ( 2.544 1.270 24.820) 24.983 20.922 ( 11.834 -5.237 2.921) 13.267 23.842 ( 2.479 4.133 7.022) 8.516 23.930 ( -3.325 -3.243 5.027) 6.844 24.947 ( -9.644 8.241 -3.694) 13.212 26.001 ( 4.440 8.793 -14.335) 17.393 26.532 ( -0.321 -6.297 2.267) 6.700 26.766 ( 11.658 0.726 11.775) 16.586 27.324 ( -14.560 -2.014 3.328) 15.071 29.400 ( 39.807 0.370 -3.457) 39.959 33.128 ( -23.697 -5.381 -1.485) 24.346 34.171 ( -15.620 14.713 -6.289) 22.361 ======================= Grid point 145 (51/216) ======================= q-point: (-0.18 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -16.725 40.803 19.593) 48.254 3.231 ( -8.733 48.537 17.028) 52.173 4.921 ( -10.076 15.204 14.314) 23.186 5.742 ( 5.157 25.365 9.985) 27.743 6.032 ( 0.848 -0.999 0.581) 1.434 6.154 ( -12.952 0.685 1.620) 13.071 6.636 ( 4.021 6.361 5.915) 9.572 7.233 ( -0.963 -3.340 -2.472) 4.266 7.261 ( 1.182 11.630 -6.922) 13.586 8.411 ( -4.583 7.038 -1.350) 8.506 9.004 ( 28.261 7.930 -5.398) 29.844 9.388 ( 1.415 19.564 1.201) 19.652 9.798 ( -19.174 12.619 -3.469) 23.214 10.515 ( -15.200 -24.907 -16.739) 33.639 11.595 ( 13.553 -0.975 -1.432) 13.664 12.067 ( -12.413 -18.525 8.328) 23.804 12.460 ( 4.416 13.439 -5.751) 15.270 13.490 ( -2.756 13.570 -30.118) 33.148 13.995 ( 14.126 2.233 3.349) 14.688 14.319 ( -2.120 -24.454 7.142) 25.564 15.132 ( 5.668 -3.220 9.026) 11.134 16.941 ( -4.955 -25.698 10.220) 28.096 18.193 ( -3.285 5.664 17.902) 19.062 18.547 ( -1.063 -10.194 -41.526) 42.772 20.226 ( 2.012 1.549 25.013) 25.142 21.114 ( 7.875 -5.702 0.206) 9.725 23.806 ( 3.045 2.568 13.212) 13.799 23.957 ( -4.296 -4.201 2.812) 6.634 24.743 ( -4.165 8.279 -3.546) 9.923 25.854 ( 1.920 11.930 -11.136) 16.433 26.636 ( 1.623 -5.838 0.717) 6.102 26.847 ( 6.364 0.426 12.625) 14.145 27.244 ( -7.452 -0.804 -0.171) 7.497 29.798 ( 43.295 0.344 -7.225) 43.895 32.959 ( -29.716 -5.203 -1.574) 30.209 33.754 ( -18.241 15.439 -4.885) 24.392 ======================= Grid point 146 (52/216) ======================= q-point: (-0.09 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 42.427 28.617) 51.176 2.389 ( 0.000 45.921 35.076) 57.785 3.915 ( 0.000 77.771 45.007) 89.856 5.818 ( -0.000 -17.402 -8.569) 19.398 5.952 ( 0.000 4.996 -2.314) 5.506 6.254 ( -0.000 -8.656 0.287) 8.661 6.592 ( 0.000 2.166 7.393) 7.704 7.106 ( 0.000 6.648 -5.758) 8.795 7.303 ( -0.000 -4.396 -2.523) 5.069 8.319 ( 0.000 2.471 -0.631) 2.551 8.927 ( 0.000 25.535 6.239) 26.286 9.208 ( 0.000 0.382 -15.617) 15.621 9.269 ( 0.000 23.068 1.421) 23.112 11.039 ( -0.000 -36.502 -22.957) 43.121 11.619 ( 0.000 3.407 -9.704) 10.285 12.325 ( -0.000 -15.523 13.546) 20.603 12.333 ( 0.000 3.097 1.919) 3.643 13.173 ( 0.000 21.245 -30.029) 36.785 13.985 ( 0.000 9.216 -5.107) 10.536 14.701 ( -0.000 -22.326 7.924) 23.690 15.220 ( -0.000 -4.825 11.197) 12.192 17.264 ( -0.000 -15.468 16.527) 22.636 18.095 ( 0.000 3.264 20.362) 20.622 18.696 ( -0.000 -7.574 -45.331) 45.960 20.216 ( 0.000 1.089 23.555) 23.580 21.240 ( -0.000 -4.573 -1.107) 4.705 23.847 ( -0.000 -6.724 23.493) 24.437 23.994 ( -0.000 -3.664 0.340) 3.679 24.593 ( 0.000 7.676 -3.765) 8.550 25.663 ( 0.000 12.021 -9.973) 15.619 26.755 ( -0.000 -6.745 -0.695) 6.781 26.871 ( -0.000 -0.110 12.623) 12.624 27.199 ( 0.000 2.451 -1.984) 3.153 30.092 ( 0.000 0.000 -15.159) 15.159 32.810 ( -0.000 -2.813 0.437) 2.847 33.377 ( 0.000 15.918 -2.454) 16.106 ======================= Grid point 149 (53/216) ======================= q-point: ( 0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 36.600 0.000 33.593) 49.679 2.689 ( 35.746 0.000 58.213) 68.312 4.570 ( 93.393 0.000 20.311) 95.577 5.902 ( -7.327 -0.000 -4.488) 8.592 5.914 ( -6.920 -0.000 -2.633) 7.404 6.486 ( 4.076 0.000 -8.386) 9.324 6.585 ( 5.028 0.000 3.044) 5.878 7.061 ( -6.679 -0.000 11.080) 12.937 7.410 ( 3.129 0.000 -9.964) 10.443 7.634 ( -12.658 -0.000 -4.137) 13.317 8.693 ( 9.043 0.000 -2.383) 9.351 8.995 ( 30.078 0.000 8.162) 31.166 10.276 ( 13.607 0.000 -16.138) 21.109 11.005 ( -8.287 -0.000 2.476) 8.649 11.491 ( -26.032 -0.000 -4.716) 26.456 12.113 ( -19.059 -0.000 2.196) 19.185 12.462 ( 3.716 0.000 -15.415) 15.857 12.836 ( 14.234 0.000 -19.354) 24.024 13.411 ( 10.305 0.000 5.202) 11.544 14.606 ( -18.704 -0.000 -1.407) 18.757 16.128 ( -5.495 -0.000 -2.550) 6.058 17.488 ( 2.045 0.000 23.057) 23.148 17.832 ( -13.979 -0.000 19.695) 24.152 18.797 ( 1.025 0.000 -35.265) 35.280 19.979 ( -9.261 -0.000 18.967) 21.107 20.972 ( -11.175 -0.000 -3.341) 11.664 23.701 ( -8.176 -0.000 22.855) 24.273 24.434 ( 0.454 0.000 -0.721) 0.852 24.806 ( 2.779 0.000 -2.449) 3.704 25.047 ( 2.887 0.000 -5.009) 5.781 25.715 ( -12.869 -0.000 16.829) 21.185 26.666 ( -8.066 -0.000 6.832) 10.570 27.404 ( 12.494 0.000 2.724) 12.787 28.604 ( 10.534 0.000 0.004) 10.534 33.003 ( -0.473 -0.000 0.720) 0.862 36.319 ( 22.751 0.000 -49.118) 54.131 ======================= Grid point 150 (54/216) ======================= q-point: ( 0.27 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 32.352 -23.009 26.914) 47.962 3.292 ( 33.697 -28.704 42.108) 61.095 5.336 ( 47.116 3.524 11.692) 48.673 5.756 ( -4.892 3.555 -3.654) 7.065 5.941 ( 3.215 -7.511 2.195) 8.460 6.534 ( 5.415 1.350 -1.317) 5.734 6.645 ( 7.723 -1.041 0.876) 7.842 6.959 ( -4.512 2.191 7.740) 9.223 7.485 ( 13.245 1.700 -6.331) 14.778 7.610 ( 2.857 -5.741 -3.398) 7.257 8.813 ( 6.461 -5.710 -3.636) 9.358 9.373 ( 35.450 -4.739 7.878) 36.623 10.290 ( -10.696 2.973 -16.306) 19.727 10.926 ( -0.602 2.024 0.767) 2.247 11.348 ( -17.423 -10.398 0.631) 20.299 11.871 ( -13.559 7.934 -4.521) 16.347 12.504 ( 4.886 -1.695 -11.736) 12.825 13.118 ( 9.157 -13.607 -17.525) 24.003 13.484 ( 7.386 2.098 -1.389) 7.803 14.406 ( -20.616 0.989 -2.127) 20.749 15.822 ( -7.773 22.497 4.119) 24.156 17.191 ( -19.476 19.507 15.391) 31.571 18.038 ( 0.943 -21.869 21.656) 30.792 18.792 ( 1.857 2.404 -31.848) 31.992 19.893 ( -10.809 -1.298 18.010) 21.045 20.844 ( -8.037 3.514 -1.629) 8.922 23.619 ( -4.624 1.159 19.488) 20.063 24.531 ( 2.353 -2.943 -1.620) 4.102 24.633 ( 6.138 6.336 -1.064) 8.886 25.320 ( -1.269 -15.733 -10.433) 18.920 25.729 ( -11.989 -14.549 11.471) 22.068 26.584 ( -8.342 0.301 7.103) 10.961 27.536 ( 13.049 -1.150 3.287) 13.506 28.692 ( 11.407 3.271 -2.446) 12.116 33.023 ( -1.387 -3.086 1.210) 3.593 36.268 ( 16.795 23.296 -31.339) 42.507 ======================= Grid point 151 (55/216) ======================= q-point: ( 0.36 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 27.920 -29.955 16.528) 44.159 4.102 ( 29.620 -26.508 23.887) 46.374 5.328 ( -11.781 0.607 4.804) 12.737 5.702 ( -3.526 1.331 0.577) 3.812 6.040 ( 6.837 12.282 5.886) 15.239 6.498 ( 2.850 7.097 3.402) 8.370 6.814 ( 2.128 -9.235 -4.288) 10.402 7.076 ( 12.046 -14.008 9.550) 20.798 7.609 ( 14.187 -2.596 -2.178) 14.586 7.928 ( 36.255 -8.938 -1.181) 37.359 8.971 ( 3.636 -4.672 -4.646) 7.525 9.693 ( 13.425 3.356 2.762) 14.111 10.080 ( 2.710 5.110 -7.974) 9.851 10.983 ( -4.935 -10.723 -7.619) 14.050 11.381 ( -18.637 -9.067 5.993) 21.574 11.697 ( -1.510 0.183 -4.109) 4.381 12.618 ( 9.260 -3.719 -8.874) 13.354 13.246 ( -4.273 5.919 2.244) 7.637 13.568 ( 6.512 -7.266 -24.258) 26.147 14.199 ( -15.672 2.137 -3.276) 16.153 15.365 ( -3.699 24.324 8.344) 25.980 16.649 ( -29.432 15.078 10.813) 34.792 18.335 ( 2.921 -8.781 11.995) 15.149 18.762 ( 2.926 3.244 -24.830) 25.211 19.826 ( -11.977 -4.516 18.318) 22.347 20.732 ( -2.220 3.417 2.790) 4.938 23.591 ( -2.784 -1.990 15.092) 15.475 24.415 ( 5.754 11.901 -2.041) 13.375 24.878 ( 4.508 -18.577 -1.559) 19.180 25.474 ( -3.536 -7.134 -7.968) 11.265 25.909 ( -12.805 -19.328 3.692) 23.477 26.504 ( -7.366 -0.206 7.457) 10.484 27.678 ( 11.850 -0.754 3.866) 12.487 28.714 ( 10.693 6.040 -2.483) 12.529 33.064 ( -3.804 -4.411 1.427) 5.997 35.987 ( 15.934 28.179 -19.379) 37.729 ======================= Grid point 152 (56/216) ======================= q-point: ( 0.45 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.324 ( 19.893 -18.469 4.638) 27.538 4.559 ( 19.423 -3.443 9.848) 22.047 5.374 ( -15.631 -21.139 7.869) 27.443 5.601 ( -1.725 8.948 3.955) 9.933 5.837 ( 4.366 10.144 5.402) 12.294 6.373 ( 1.895 10.618 -0.492) 10.797 6.976 ( -4.413 -13.733 0.447) 14.432 7.388 ( 12.232 -4.459 2.993) 13.359 7.899 ( 7.899 -20.502 5.714) 22.702 8.522 ( 50.805 -8.602 1.515) 51.550 8.906 ( -6.150 11.881 -6.965) 15.082 9.540 ( -12.799 4.459 -1.900) 13.686 10.236 ( 13.634 -1.381 -1.799) 13.822 11.085 ( -3.609 -1.156 -3.024) 4.848 11.394 ( -2.680 -13.415 -2.187) 13.853 11.798 ( -3.194 -12.619 2.804) 13.316 12.758 ( 0.343 -1.539 -2.367) 2.844 12.970 ( -5.394 13.802 -1.126) 14.861 13.697 ( 2.630 0.560 -17.030) 17.241 14.083 ( -3.077 -0.489 -10.696) 11.140 14.996 ( 0.320 17.021 8.617) 19.081 16.191 ( -31.259 4.043 5.821) 32.052 18.360 ( 0.169 5.500 -5.881) 8.054 18.740 ( 2.986 4.278 -11.933) 13.024 19.844 ( -9.019 -10.385 20.149) 24.396 20.695 ( 3.365 1.944 7.368) 8.330 23.622 ( -2.199 -4.366 11.944) 12.905 24.288 ( 4.864 9.790 -1.028) 10.980 25.233 ( 2.860 -16.815 -5.464) 17.910 25.530 ( -3.648 -6.126 -3.579) 7.978 26.077 ( -11.081 -14.472 -0.353) 18.230 26.473 ( -4.549 -3.559 6.701) 8.847 27.746 ( 6.682 4.616 4.704) 9.385 28.748 ( 13.454 2.184 -1.687) 13.734 33.085 ( -7.404 -4.428 1.479) 8.752 35.660 ( 12.786 27.962 -13.223) 33.469 ======================= Grid point 153 (57/216) ======================= q-point: ( 0.55 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.421 ( 5.040 8.433 3.788) 10.529 4.845 ( 7.637 -2.076 0.094) 7.915 5.346 ( -4.084 3.734 6.202) 8.312 5.659 ( -2.127 -11.923 4.854) 13.048 5.837 ( 7.650 1.426 2.373) 8.135 6.198 ( 1.010 10.147 -2.222) 10.436 7.218 ( -3.037 -18.654 3.761) 19.270 7.490 ( 10.841 1.050 2.343) 11.140 8.308 ( 9.648 -6.010 -2.026) 11.546 8.551 ( 4.776 13.787 -0.473) 14.598 9.161 ( 25.128 -9.741 3.060) 27.123 9.356 ( -15.342 -8.376 3.303) 17.789 10.186 ( -14.642 8.314 -1.319) 16.889 10.933 ( 4.145 17.296 1.303) 17.833 11.683 ( -3.889 -12.650 -5.838) 14.465 12.056 ( 5.973 -15.943 -0.008) 17.026 12.520 ( -15.937 2.899 1.257) 16.248 12.935 ( 11.678 4.095 -1.459) 12.461 13.660 ( 3.540 4.392 -8.198) 9.952 14.102 ( 4.927 1.587 -11.393) 12.514 14.844 ( 3.604 3.508 4.292) 6.612 15.927 ( -28.803 -6.576 0.856) 29.556 18.239 ( -0.387 7.017 -14.856) 16.435 18.657 ( -0.396 6.712 -6.065) 9.055 19.980 ( -3.320 -12.015 21.519) 24.869 20.723 ( 6.651 0.654 9.284) 11.439 23.684 ( -1.997 -5.253 9.585) 11.111 24.181 ( 3.932 8.374 0.389) 9.260 25.317 ( -10.334 -0.074 -6.351) 12.130 25.751 ( 8.017 -15.156 -4.027) 17.613 26.182 ( -7.574 -9.614 -0.361) 12.244 26.540 ( -1.556 -7.788 4.562) 9.159 27.640 ( -0.668 10.935 6.529) 12.754 28.925 ( 18.572 -4.733 -1.615) 19.233 33.063 ( -11.526 -3.702 1.417) 12.188 35.303 ( 7.735 27.289 -9.950) 30.059 ======================= Grid point 154 (58/216) ======================= q-point: (-0.36 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.317 ( 1.723 7.428 3.643) 8.451 4.697 ( -2.778 16.559 6.700) 18.078 5.259 ( -3.790 11.495 -1.409) 12.186 5.687 ( 3.913 7.018 0.898) 8.085 5.931 ( -1.207 -11.209 -0.492) 11.285 6.165 ( 5.306 -1.490 2.915) 6.235 7.308 ( 3.180 6.391 -1.352) 7.266 7.832 ( 5.011 -30.570 4.724) 31.336 8.056 ( -2.797 19.319 -10.142) 21.998 8.650 ( 18.574 13.725 8.872) 24.740 8.990 ( -15.575 9.558 -0.243) 18.276 9.704 ( -11.354 10.192 1.701) 15.352 9.967 ( 11.879 -24.796 11.412) 29.769 10.674 ( 2.424 17.332 -1.764) 17.590 11.455 ( -32.257 10.642 -6.671) 34.616 12.258 ( 5.734 10.048 1.392) 11.652 12.619 ( -3.209 -27.105 -6.476) 28.052 13.080 ( 18.174 -0.440 -3.646) 18.541 13.658 ( 8.426 -0.317 -2.785) 8.880 14.119 ( 5.145 2.350 -4.953) 7.518 14.905 ( 6.182 -3.363 2.301) 7.404 15.855 ( -23.680 -15.651 -0.999) 28.402 18.164 ( 0.684 1.527 -21.916) 21.980 18.531 ( -3.311 5.966 -0.306) 6.830 20.140 ( 0.094 -8.262 22.775) 24.228 20.800 ( 7.740 -1.629 7.678) 11.023 23.751 ( -1.805 -5.010 7.516) 9.211 24.083 ( 2.900 7.475 2.290) 8.339 25.166 ( -10.324 4.793 -3.948) 12.048 26.036 ( 7.373 -8.120 -11.695) 16.033 26.272 ( -4.211 -8.848 2.807) 10.193 26.689 ( 3.109 -9.061 3.592) 10.231 27.410 ( -6.589 11.552 9.168) 16.153 29.234 ( 21.554 -8.667 -2.789) 23.398 32.986 ( -15.061 -2.462 1.330) 15.319 34.905 ( 2.329 26.774 -7.893) 28.010 ======================= Grid point 155 (59/216) ======================= q-point: (-0.27 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( 4.424 31.182 9.911) 33.017 4.432 ( -11.273 3.393 3.344) 12.238 4.836 ( -2.080 27.743 2.363) 27.921 5.732 ( 1.804 -7.397 -1.138) 7.698 6.063 ( -0.940 -5.019 -0.023) 5.107 6.281 ( 5.144 -4.895 3.840) 8.073 7.212 ( 0.136 5.138 -1.362) 5.317 7.702 ( -1.503 20.453 -10.076) 22.850 8.090 ( -0.224 46.272 14.681) 48.546 8.521 ( -0.505 -32.215 1.036) 32.236 8.696 ( -11.615 6.803 0.680) 13.478 9.629 ( 34.224 9.052 -4.275) 35.658 10.299 ( -25.801 2.548 0.373) 25.930 10.485 ( 5.937 8.311 0.729) 10.240 11.084 ( -16.689 -12.464 4.187) 21.246 12.020 ( -2.700 14.961 -1.364) 15.264 13.012 ( 8.645 9.767 -11.114) 17.136 13.143 ( -4.310 -24.142 -8.393) 25.920 13.876 ( 16.372 -5.425 -0.326) 17.251 14.100 ( -0.726 2.508 -2.579) 3.670 15.028 ( 5.801 -3.674 5.430) 8.754 16.020 ( -12.540 -25.938 2.749) 28.941 18.209 ( 2.123 -5.150 -28.779) 29.314 18.402 ( -4.696 4.929 5.331) 8.647 20.236 ( 0.771 -2.747 24.609) 24.774 20.923 ( 5.867 -4.918 4.175) 8.720 23.813 ( -1.193 -4.245 5.536) 7.077 23.987 ( 1.436 6.676 4.914) 8.413 24.991 ( -5.779 6.502 -2.995) 9.200 26.128 ( 2.561 2.082 -15.981) 16.318 26.400 ( -0.887 -8.750 3.839) 9.596 26.883 ( 10.618 -5.290 5.011) 12.878 27.170 ( -12.313 5.229 9.910) 16.647 29.597 ( 19.028 -10.680 -5.057) 22.399 32.864 ( -14.748 -0.688 1.419) 14.832 34.470 ( -1.305 26.027 -6.257) 26.800 ======================= Grid point 156 (60/216) ======================= q-point: (-0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 0.000 42.673 15.861) 45.525 3.969 ( 0.000 43.111 5.664) 43.481 4.752 ( -0.000 -13.610 4.257) 14.260 5.901 ( -0.000 -10.783 0.325) 10.788 6.089 ( 0.000 1.177 -1.378) 1.812 6.319 ( 0.000 9.816 7.079) 12.103 7.053 ( 0.000 49.591 15.021) 51.816 7.178 ( -0.000 -1.062 -1.821) 2.108 7.506 ( 0.000 17.738 -5.289) 18.510 8.502 ( 0.000 8.071 -0.044) 8.071 9.042 ( -0.000 -21.022 -8.002) 22.494 9.776 ( 0.000 21.144 2.957) 21.350 10.014 ( -0.000 -14.207 -13.774) 19.788 10.100 ( 0.000 26.138 -0.010) 26.138 11.517 ( -0.000 -31.798 13.377) 34.497 11.787 ( 0.000 9.612 -4.418) 10.579 12.757 ( 0.000 18.461 -10.868) 21.422 13.520 ( -0.000 -13.343 -18.551) 22.852 14.020 ( -0.000 -6.969 -2.413) 7.375 14.075 ( 0.000 0.037 5.021) 5.022 15.115 ( -0.000 -3.075 7.753) 8.340 16.441 ( -0.000 -30.110 8.151) 31.194 18.278 ( 0.000 5.970 14.328) 15.522 18.363 ( -0.000 -10.334 -38.540) 39.902 20.254 ( 0.000 0.586 25.473) 25.479 21.050 ( -0.000 -6.365 1.515) 6.543 23.873 ( -0.000 -3.771 3.657) 5.253 23.892 ( 0.000 5.478 8.680) 10.264 24.849 ( 0.000 7.315 -3.058) 7.928 26.043 ( 0.000 9.050 -14.287) 16.912 26.528 ( -0.000 -7.319 1.988) 7.584 26.938 ( 0.000 5.979 15.494) 16.607 27.125 ( -0.000 -7.734 -0.831) 7.779 29.890 ( -0.000 -10.538 -7.975) 13.215 32.774 ( 0.000 0.362 1.539) 1.581 34.042 ( 0.000 23.991 -4.772) 24.461 ======================= Grid point 161 (61/216) ======================= q-point: ( 0.27 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 23.090 0.000 27.057) 35.570 3.384 ( 35.821 0.000 46.113) 58.391 5.662 ( -13.847 -0.000 -2.679) 14.104 5.685 ( -8.495 -0.000 1.340) 8.600 6.047 ( 43.018 0.000 8.289) 43.810 6.591 ( 4.429 0.000 -4.607) 6.391 6.716 ( 7.890 0.000 4.342) 9.006 6.921 ( -6.631 -0.000 10.869) 12.732 7.633 ( 11.211 0.000 -5.157) 12.341 7.749 ( 39.985 0.000 -6.709) 40.544 8.838 ( 8.877 0.000 -2.903) 9.340 9.718 ( 42.324 0.000 7.526) 42.988 10.176 ( -16.458 -0.000 -15.267) 22.449 10.944 ( -10.275 -0.000 12.402) 16.106 10.981 ( -26.567 -0.000 -4.778) 26.993 11.872 ( 0.364 0.000 -8.911) 8.918 12.537 ( 3.384 0.000 -20.400) 20.679 13.117 ( 13.416 0.000 -11.360) 17.579 13.592 ( 8.656 0.000 -4.929) 9.961 14.190 ( -24.201 -0.000 -2.728) 24.354 15.799 ( -29.011 -0.000 -1.822) 29.068 17.523 ( 1.740 0.000 20.905) 20.978 17.568 ( -12.015 -0.000 25.821) 28.480 18.838 ( 3.355 0.000 -27.894) 28.095 19.780 ( -11.170 -0.000 14.730) 18.487 20.801 ( -6.428 -0.000 -2.647) 6.951 23.590 ( -3.906 -0.000 20.493) 20.862 24.447 ( 0.829 0.000 0.784) 1.141 24.857 ( 2.373 0.000 -4.959) 5.497 25.120 ( 4.222 0.000 -8.788) 9.750 25.548 ( -6.049 -0.000 7.563) 9.685 26.507 ( -8.205 -0.000 7.427) 11.067 27.651 ( 12.752 0.000 3.288) 13.169 28.855 ( 14.004 0.000 -4.550) 14.725 32.990 ( -0.877 -0.000 2.149) 2.322 36.548 ( 4.939 0.000 -27.150) 27.596 ======================= Grid point 162 (62/216) ======================= q-point: ( 0.36 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 15.567 -27.970 20.289) 37.898 3.899 ( 29.868 -21.621 37.890) 52.870 5.412 ( -7.392 13.263 0.891) 15.211 5.595 ( -13.664 -1.994 3.219) 14.179 6.301 ( 12.720 6.598 4.249) 14.947 6.609 ( 1.962 2.715 2.022) 3.913 6.749 ( 0.912 -0.010 0.748) 1.180 6.958 ( 2.850 -9.515 8.726) 13.221 7.765 ( 19.186 1.938 -3.916) 19.677 8.279 ( 56.851 -5.162 -6.137) 57.414 8.977 ( 12.824 -3.211 -1.864) 13.350 9.863 ( -9.022 11.822 -6.392) 16.187 10.203 ( 25.185 -3.762 0.460) 25.469 10.719 ( -19.483 -4.666 -3.874) 20.404 10.964 ( -19.414 -15.130 7.745) 25.803 11.848 ( 9.760 9.050 -9.202) 16.181 12.627 ( 6.497 -5.880 -16.354) 18.554 13.247 ( 1.000 -0.840 -4.984) 5.152 13.612 ( 5.698 4.093 -15.664) 17.164 14.013 ( -17.511 -4.943 -3.860) 18.600 15.435 ( -33.134 4.576 -0.815) 33.459 16.877 ( -10.873 36.265 23.878) 44.761 18.056 ( 0.840 -27.433 20.767) 34.417 18.848 ( 4.023 3.105 -24.618) 25.137 19.670 ( -12.088 -0.290 13.228) 17.922 20.744 ( -2.725 0.830 -0.419) 2.879 23.553 ( -2.434 0.199 17.976) 18.141 24.569 ( 1.737 -9.841 -0.135) 9.994 24.723 ( 3.367 9.131 -3.712) 10.416 25.322 ( 1.174 -11.279 -10.301) 15.320 25.562 ( -6.378 -9.198 5.083) 12.293 26.432 ( -7.263 -0.104 7.952) 10.770 27.779 ( 11.679 -1.074 3.404) 12.212 28.934 ( 12.460 5.689 -4.783) 14.509 32.992 ( -1.765 -1.346 2.676) 3.477 36.447 ( 4.280 15.281 -20.117) 25.623 ======================= Grid point 163 (63/216) ======================= q-point: ( 0.45 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.047 ( 12.220 -33.934 9.846) 37.387 4.563 ( 19.617 -25.190 24.053) 39.974 5.123 ( -6.068 12.267 5.279) 14.668 5.518 ( -12.899 -4.376 4.615) 14.382 6.168 ( 7.302 15.769 5.110) 18.114 6.544 ( 1.896 6.756 3.652) 7.911 6.772 ( -4.956 -4.725 0.522) 6.867 7.255 ( 6.951 -20.150 9.468) 23.323 7.918 ( 21.637 3.631 -2.213) 22.051 8.848 ( 29.675 -3.799 -9.693) 31.448 9.136 ( 28.949 6.156 0.335) 29.598 9.528 ( -15.893 9.843 -3.735) 19.063 10.298 ( -5.714 3.379 -1.247) 6.754 10.771 ( -13.828 -20.076 -8.933) 25.963 11.228 ( 16.788 -15.641 5.072) 23.499 11.792 ( 8.664 6.083 -2.643) 10.911 12.776 ( 2.930 0.698 -5.596) 6.355 13.049 ( -14.325 7.611 -4.012) 16.710 13.689 ( 5.158 -4.328 -20.842) 21.903 13.990 ( -5.874 -4.047 -8.669) 11.227 15.096 ( -25.025 0.818 0.669) 25.048 16.197 ( -14.311 29.865 21.813) 39.655 18.379 ( 1.924 -7.970 8.933) 12.125 18.829 ( 3.942 3.451 -18.151) 18.892 19.593 ( -11.600 -6.184 15.284) 20.159 20.734 ( 1.520 -0.281 3.749) 4.055 23.549 ( -1.592 -2.137 14.880) 15.117 24.511 ( 4.219 11.627 -3.883) 12.964 24.926 ( 0.624 -20.879 -1.120) 20.919 25.425 ( -1.723 -3.451 -2.214) 4.448 25.726 ( -6.577 -15.921 -3.972) 17.678 26.385 ( -4.874 -1.750 7.900) 9.446 27.886 ( 9.236 1.482 3.497) 9.987 28.934 ( 10.828 6.195 -3.625) 12.991 32.988 ( -3.743 -1.122 2.903) 4.868 36.174 ( 5.216 22.566 -14.889) 27.534 ======================= Grid point 164 (64/216) ======================= q-point: ( 0.55 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.595 ( 8.771 -9.142 1.509) 12.759 4.806 ( 4.205 1.624 4.638) 6.468 5.124 ( -5.145 -16.996 10.266) 20.511 5.497 ( -7.345 -5.825 7.824) 12.210 6.048 ( 13.282 9.596 4.200) 16.916 6.417 ( 2.555 11.585 -0.955) 11.901 6.847 ( -8.378 -14.673 9.893) 19.579 7.690 ( 17.641 -10.209 8.354) 22.028 8.109 ( 14.257 -12.477 2.934) 19.171 8.753 ( -7.578 15.412 -11.304) 20.560 9.216 ( -18.963 6.619 -0.250) 20.087 9.470 ( 37.335 5.720 1.498) 37.800 10.150 ( -9.417 2.600 -3.998) 10.556 11.061 ( -3.239 -19.447 -6.889) 20.884 11.441 ( 3.921 3.250 -6.013) 7.880 11.954 ( 9.561 -5.834 -3.464) 11.724 12.515 ( -5.082 8.181 8.199) 12.649 13.034 ( 2.574 -3.426 -2.296) 4.861 13.724 ( -3.253 2.594 -11.042) 11.800 14.042 ( -0.920 -6.531 -18.347) 19.496 14.963 ( -4.253 -1.428 2.291) 5.037 15.662 ( -20.029 13.896 15.057) 28.653 18.376 ( 1.339 7.216 -6.109) 9.548 18.772 ( 0.555 6.988 -11.307) 13.303 19.699 ( -5.643 -15.771 20.447) 26.432 20.773 ( 3.780 -0.974 6.993) 8.009 23.590 ( -1.167 -4.141 12.291) 13.022 24.367 ( 3.223 10.005 -2.438) 10.791 25.197 ( -4.221 -7.964 -6.918) 11.362 25.532 ( 2.073 -14.831 5.902) 16.097 25.912 ( -5.919 -13.431 -8.173) 16.799 26.407 ( -2.249 -5.216 6.489) 8.624 27.861 ( 4.783 10.393 4.275) 12.213 28.995 ( 10.527 -2.268 -2.506) 11.056 32.953 ( -5.692 0.012 2.946) 6.409 35.814 ( 4.325 26.328 -11.614) 29.099 ======================= Grid point 165 (65/216) ======================= q-point: (-0.36 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.478 ( 1.653 12.393 5.092) 13.500 4.899 ( -0.957 4.210 2.269) 4.878 5.248 ( -2.493 -4.664 -0.348) 5.300 5.651 ( 0.044 -15.875 7.303) 17.474 5.985 ( 4.307 13.947 -2.303) 14.777 6.255 ( 3.705 7.630 1.612) 8.634 7.150 ( -2.788 -26.739 9.522) 28.521 7.751 ( 12.982 13.760 6.684) 20.063 8.357 ( -1.715 18.586 -13.117) 22.813 8.752 ( 11.256 -31.556 9.556) 34.840 8.937 ( -16.347 -0.343 1.165) 16.392 9.475 ( -4.601 15.225 7.126) 17.428 10.128 ( 14.326 2.293 -3.617) 14.953 11.042 ( 5.842 18.194 -5.098) 19.777 11.361 ( -21.264 9.356 -7.481) 24.406 12.029 ( -6.423 -25.744 -10.367) 28.487 12.568 ( 9.881 9.709 4.636) 14.608 13.238 ( 20.456 -10.118 3.836) 23.142 13.605 ( -11.490 -0.703 -4.275) 12.280 14.129 ( -0.548 -3.074 -15.522) 15.833 15.011 ( 13.616 3.836 9.481) 17.029 15.395 ( -24.351 -9.239 0.188) 26.045 18.251 ( 0.917 7.516 -15.027) 16.827 18.631 ( -1.442 8.560 -6.028) 10.569 19.938 ( -1.052 -15.226 22.304) 27.027 20.829 ( 3.316 -1.453 7.830) 8.627 23.657 ( -0.736 -4.900 9.974) 11.137 24.239 ( 1.777 8.579 -0.532) 8.778 25.159 ( -4.800 3.094 -4.143) 7.055 25.887 ( 5.551 -18.955 2.361) 19.892 26.053 ( -5.380 -10.288 -8.680) 14.496 26.516 ( -0.726 -9.777 4.096) 10.625 27.649 ( 0.742 17.237 6.823) 18.553 29.204 ( 8.493 -10.815 -2.829) 14.039 32.884 ( -5.654 1.432 2.872) 6.501 35.391 ( 1.988 28.386 -9.411) 29.971 ======================= Grid point 166 (66/216) ======================= q-point: (-0.27 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.356 ( 0.000 2.801 4.756) 5.520 4.633 ( 0.000 24.862 7.563) 25.987 5.223 ( 0.000 11.576 -2.493) 11.841 5.732 ( 0.000 10.457 -2.031) 10.652 5.907 ( -0.000 -12.803 1.973) 12.954 6.245 ( -0.000 -1.964 3.844) 4.316 7.350 ( 0.000 7.637 -2.251) 7.962 7.900 ( -0.000 -32.076 10.629) 33.792 8.018 ( 0.000 19.644 -12.800) 23.446 8.738 ( 0.000 8.348 0.312) 8.353 8.890 ( 0.000 38.900 11.881) 40.674 9.577 ( -0.000 -37.327 8.565) 38.297 10.183 ( 0.000 4.679 -1.572) 4.936 10.848 ( 0.000 8.103 -7.774) 11.229 10.898 ( 0.000 21.337 -1.428) 21.385 12.324 ( 0.000 20.060 1.344) 20.105 12.560 ( -0.000 -35.395 -7.707) 36.225 13.303 ( 0.000 12.285 -11.088) 16.549 13.786 ( -0.000 -17.840 1.713) 17.922 14.121 ( 0.000 2.393 -4.228) 4.858 15.029 ( 0.000 0.674 10.639) 10.661 15.547 ( -0.000 -21.560 -4.282) 21.981 18.180 ( 0.000 1.126 -23.868) 23.895 18.487 ( 0.000 7.433 1.164) 7.524 20.141 ( -0.000 -9.262 23.467) 25.229 20.882 ( -0.000 -3.024 6.352) 7.035 23.733 ( -0.000 -4.723 7.733) 9.061 24.114 ( 0.000 7.634 1.885) 7.864 25.061 ( 0.000 5.343 -2.847) 6.054 26.125 ( -0.000 -3.889 -15.185) 15.675 26.212 ( -0.000 -13.851 5.634) 14.953 26.717 ( -0.000 -14.310 1.690) 14.409 27.351 ( 0.000 17.704 10.828) 20.753 29.465 ( -0.000 -14.033 -4.174) 14.641 32.819 ( 0.000 2.094 2.599) 3.338 34.925 ( 0.000 28.646 -7.672) 29.655 ======================= Grid point 173 (67/216) ======================= q-point: ( 0.36 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 3.697 0.000 25.531) 25.797 4.029 ( 30.845 0.000 37.534) 48.582 5.417 ( -16.460 -0.000 5.129) 17.241 5.487 ( -3.626 -0.000 1.492) 3.921 6.477 ( 9.329 0.000 3.083) 9.826 6.630 ( 0.554 0.000 -1.286) 1.400 6.814 ( -4.973 -0.000 6.188) 7.938 6.822 ( 2.618 0.000 7.547) 7.988 8.004 ( 25.754 0.000 -3.377) 25.974 8.737 ( 40.762 0.000 -12.841) 42.737 9.162 ( 34.396 0.000 3.571) 34.581 9.827 ( -19.297 -0.000 -8.251) 20.987 10.341 ( -8.169 -0.000 -9.124) 12.247 10.536 ( -25.921 -0.000 5.898) 26.583 10.715 ( 29.482 0.000 8.898) 30.795 12.077 ( 15.120 0.000 -9.038) 17.615 12.572 ( -0.571 -0.000 -20.557) 20.565 13.288 ( 3.786 0.000 -5.264) 6.484 13.728 ( -21.580 -0.000 -4.363) 22.016 13.757 ( 8.644 0.000 -15.354) 17.620 15.049 ( -47.235 -0.000 -1.928) 47.275 17.401 ( -5.511 -0.000 29.068) 29.585 17.558 ( 1.895 0.000 22.262) 22.343 18.923 ( 5.252 0.000 -22.418) 23.025 19.564 ( -10.996 -0.000 10.012) 14.871 20.722 ( -2.261 -0.000 -1.562) 2.748 23.537 ( -1.843 -0.000 19.009) 19.098 24.463 ( 0.806 0.000 1.658) 1.844 24.895 ( 1.591 0.000 -7.015) 7.193 25.195 ( 3.361 0.000 -10.399) 10.929 25.459 ( -3.469 -0.000 4.029) 5.317 26.364 ( -6.389 -0.000 8.668) 10.768 27.870 ( 9.578 0.000 3.359) 10.150 29.098 ( 10.622 0.000 -5.983) 12.191 32.972 ( -0.945 -0.000 3.464) 3.591 36.587 ( 0.211 0.000 -17.904) 17.906 ======================= Grid point 174 (68/216) ======================= q-point: ( 0.45 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( -0.820 -32.470 20.669) 38.499 4.433 ( 25.471 -14.674 31.395) 43.008 5.283 ( -15.456 -2.784 6.526) 17.007 5.364 ( -1.215 11.554 3.512) 12.137 6.440 ( 4.924 10.138 3.356) 11.760 6.624 ( -0.564 2.863 5.663) 6.371 6.721 ( -2.510 1.477 -0.365) 2.936 6.995 ( 1.033 -14.661 8.633) 17.045 8.243 ( 29.046 3.079 -2.202) 29.292 9.006 ( 14.634 0.045 -12.637) 19.336 9.524 ( -15.815 10.014 -0.965) 18.743 9.580 ( 38.912 0.755 0.890) 38.930 10.216 ( -18.000 -0.979 -6.327) 19.105 10.334 ( -18.902 -9.021 -6.215) 21.847 11.244 ( 40.154 -14.537 7.158) 43.300 12.048 ( 7.680 13.555 -7.565) 17.319 12.710 ( 0.098 -13.302 -14.239) 19.486 13.099 ( -11.782 17.995 -3.027) 21.721 13.651 ( -1.180 -5.226 -12.022) 13.162 13.880 ( 2.525 -4.822 -14.387) 15.383 14.653 ( -43.493 -8.522 -1.946) 44.363 16.764 ( -2.341 42.055 27.798) 50.466 18.071 ( 0.763 -29.492 21.831) 36.702 18.941 ( 5.333 3.798 -20.480) 21.502 19.450 ( -10.202 0.846 9.019) 13.643 20.720 ( -0.273 -1.585 0.415) 1.661 23.520 ( -1.080 -0.048 17.394) 17.427 24.596 ( 1.029 -13.549 1.137) 13.635 24.768 ( 1.443 11.244 -6.235) 12.938 25.355 ( 2.099 -8.092 -8.209) 11.716 25.465 ( -4.055 -6.945 0.373) 8.051 26.318 ( -4.281 -0.970 8.982) 9.997 27.962 ( 6.917 -1.160 3.269) 7.738 29.132 ( 7.566 5.899 -5.587) 11.102 32.961 ( -1.293 0.254 3.824) 4.044 36.486 ( 0.599 11.797 -15.087) 19.161 ======================= Grid point 175 (69/216) ======================= q-point: ( 0.55 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( -0.816 -40.612 11.085) 42.106 4.919 ( 17.849 -15.028 15.927) 28.250 5.089 ( 0.251 18.886 5.160) 19.579 5.244 ( -15.411 -10.119 11.324) 21.636 6.321 ( 7.200 10.374 2.802) 12.935 6.566 ( 0.083 1.911 8.752) 8.959 6.653 ( -5.710 2.425 1.434) 6.367 7.351 ( 2.746 -26.884 10.602) 29.030 8.440 ( 31.272 9.369 -1.092) 32.663 8.928 ( -7.709 14.427 -9.519) 18.926 9.145 ( -20.664 8.870 -2.549) 22.631 9.878 ( 21.341 5.968 1.999) 22.250 10.122 ( 1.569 -0.948 -6.949) 7.187 10.513 ( -10.532 -28.712 -9.455) 32.011 11.697 ( 16.680 8.263 -5.958) 19.544 11.978 ( 7.743 -3.698 -5.381) 10.129 12.678 ( -0.121 14.479 6.507) 15.875 12.878 ( -9.022 -8.677 -2.757) 12.817 13.689 ( -4.549 -1.017 -13.844) 14.608 13.961 ( 1.501 -3.544 -17.016) 17.446 14.602 ( -18.121 -20.838 -5.883) 28.235 16.067 ( -2.007 38.788 27.077) 47.346 18.408 ( 0.889 -8.232 9.798) 12.828 18.899 ( 2.697 6.499 -17.332) 18.706 19.415 ( -5.767 -9.170 14.391) 18.013 20.763 ( 1.003 -2.720 3.892) 4.853 23.529 ( -0.522 -2.094 14.910) 15.065 24.571 ( 1.794 11.658 -5.167) 12.878 24.921 ( -0.516 -20.606 -1.638) 20.677 25.402 ( -0.696 -1.948 5.778) 6.137 25.648 ( -1.810 -14.282 -11.782) 18.603 26.322 ( -1.674 -3.012 8.196) 8.891 28.012 ( 3.499 2.473 3.186) 5.339 29.087 ( 4.344 4.855 -4.097) 7.696 32.934 ( -1.608 1.330 3.857) 4.385 36.228 ( 1.095 20.085 -12.817) 23.851 ======================= Grid point 176 (70/216) ======================= q-point: (-0.36 -0.64 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.703 ( -0.000 -26.790 3.024) 26.960 4.759 ( 0.000 19.253 5.512) 20.027 5.149 ( -0.000 -5.431 -0.977) 5.518 5.399 ( -0.000 -14.523 16.378) 21.890 6.203 ( 0.000 9.564 -0.261) 9.567 6.455 ( 0.000 12.307 -1.530) 12.401 6.732 ( -0.000 -18.094 17.418) 25.115 7.896 ( -0.000 -28.688 14.466) 32.129 8.387 ( 0.000 12.988 2.423) 13.212 8.617 ( 0.000 11.897 -11.949) 16.862 8.902 ( 0.000 5.987 -4.394) 7.427 9.774 ( 0.000 14.982 3.397) 15.362 10.202 ( -0.000 -1.819 -4.337) 4.703 10.978 ( -0.000 -27.467 -10.067) 29.253 11.517 ( 0.000 16.170 -3.510) 16.547 11.858 ( 0.000 12.029 -16.633) 20.527 12.773 ( 0.000 4.896 1.503) 5.122 12.961 ( -0.000 -24.743 18.699) 31.014 13.622 ( 0.000 5.679 -11.432) 12.764 14.047 ( -0.000 -5.757 -20.379) 21.176 14.892 ( -0.000 -21.296 -9.382) 23.271 15.484 ( 0.000 28.879 24.494) 37.868 18.393 ( 0.000 7.378 -4.623) 8.707 18.774 ( 0.000 9.111 -12.729) 15.653 19.643 ( -0.000 -18.453 20.896) 27.878 20.813 ( -0.000 -2.276 6.629) 7.009 23.578 ( -0.000 -4.023 12.439) 13.073 24.400 ( 0.000 10.001 -3.086) 10.466 25.148 ( -0.000 -4.317 -6.390) 7.712 25.557 ( -0.000 -19.161 11.127) 22.158 25.855 ( -0.000 -11.738 -13.656) 18.008 26.386 ( -0.000 -5.729 6.400) 8.589 27.910 ( 0.000 12.041 4.087) 12.715 29.102 ( -0.000 -4.569 -2.888) 5.405 32.894 ( 0.000 2.191 3.588) 4.204 35.852 ( 0.000 25.733 -11.034) 27.999 ======================= Grid point 186 (71/216) ======================= q-point: ( 0.45 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( -2.060 -0.000 26.911) 26.990 4.540 ( 20.830 0.000 35.247) 40.942 5.090 ( -15.997 -0.000 4.939) 16.742 5.479 ( 0.871 0.000 3.369) 3.480 6.578 ( 2.402 0.000 2.354) 3.363 6.650 ( 2.053 0.000 2.000) 2.866 6.723 ( -4.290 -0.000 1.437) 4.524 6.841 ( 0.087 0.000 11.004) 11.004 8.527 ( 24.261 0.000 -2.041) 24.346 9.146 ( 11.916 0.000 -11.150) 16.319 9.426 ( -20.497 -0.000 2.238) 20.619 9.880 ( 11.303 0.000 -3.677) 11.886 10.025 ( -0.148 -0.000 -7.275) 7.277 10.153 ( -10.828 -0.000 -5.793) 12.281 11.500 ( 35.204 0.000 6.547) 35.808 12.315 ( 7.583 0.000 -5.351) 9.281 12.450 ( -12.311 -0.000 -17.902) 21.726 13.295 ( -1.204 -0.000 -7.646) 7.740 13.543 ( 7.923 0.000 -5.717) 9.770 13.889 ( 4.001 0.000 -18.032) 18.471 14.123 ( -44.114 -0.000 -1.202) 44.130 17.339 ( -1.425 -0.000 29.616) 29.650 17.589 ( 1.017 0.000 25.035) 25.056 19.023 ( 4.188 0.000 -21.153) 21.564 19.385 ( -6.398 -0.000 7.787) 10.078 20.699 ( -0.403 -0.000 -0.969) 1.050 23.515 ( -0.555 -0.000 18.497) 18.505 24.475 ( 0.326 0.000 2.040) 2.066 24.916 ( 0.590 0.000 -8.280) 8.301 25.243 ( 1.434 0.000 -11.264) 11.355 25.412 ( -1.363 -0.000 2.975) 3.272 26.276 ( -2.458 -0.000 9.713) 10.019 27.999 ( 3.562 0.000 3.278) 4.841 29.241 ( 3.901 0.000 -6.419) 7.512 32.958 ( -0.417 -0.000 4.253) 4.274 36.582 ( -0.310 -0.000 -14.445) 14.448 ======================= Grid point 187 (72/216) ======================= q-point: (-0.45 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( -0.000 -33.097 22.005) 39.745 4.792 ( -0.000 -15.198 36.582) 39.613 5.012 ( -0.000 -2.326 -0.057) 2.327 5.371 ( 0.000 12.950 3.980) 13.548 6.511 ( 0.000 7.868 1.581) 8.025 6.591 ( 0.000 5.054 9.667) 10.908 6.695 ( 0.000 1.444 -1.921) 2.404 7.004 ( -0.000 -16.287 9.361) 18.785 8.683 ( -0.000 -1.885 -2.949) 3.500 9.147 ( 0.000 17.668 3.715) 18.054 9.168 ( 0.000 5.032 -10.769) 11.886 10.031 ( -0.000 -18.966 -11.006) 21.929 10.049 ( 0.000 3.792 -2.089) 4.329 10.129 ( -0.000 -2.123 -4.709) 5.165 11.819 ( -0.000 -13.487 2.742) 13.763 12.057 ( 0.000 17.910 -9.518) 20.282 12.630 ( -0.000 -13.550 -8.909) 16.216 13.018 ( 0.000 22.859 -1.422) 22.903 13.661 ( 0.000 0.582 -10.188) 10.205 13.928 ( -0.000 -2.086 -17.101) 17.228 14.098 ( -0.000 -24.639 -4.385) 25.026 16.747 ( 0.000 42.617 28.760) 51.414 18.080 ( -0.000 -29.965 22.881) 37.702 19.010 ( 0.000 4.125 -20.715) 21.122 19.332 ( 0.000 1.229 8.589) 8.677 20.720 ( -0.000 -2.478 0.658) 2.563 23.510 ( -0.000 -0.094 17.268) 17.268 24.606 ( -0.000 -14.878 1.648) 14.969 24.782 ( 0.000 12.215 -7.403) 14.283 25.399 ( 0.000 0.654 3.712) 3.769 25.402 ( -0.000 -13.901 -12.121) 18.444 26.276 ( -0.000 -1.443 9.444) 9.553 28.030 ( -0.000 -1.218 3.181) 3.406 29.207 ( 0.000 5.770 -5.788) 8.173 32.948 ( 0.000 0.919 4.262) 4.360 36.490 ( 0.000 10.837 -13.660) 17.437 ======================= Grid point 250 (73/216) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.000 0.000 50.456) 50.456 2.483 ( 0.000 0.000 56.144) 56.144 4.216 ( 0.000 0.000 86.640) 86.640 5.766 ( 0.000 0.000 -6.516) 6.516 5.890 ( 0.000 0.000 -2.419) 2.419 6.220 ( 0.000 0.000 -14.164) 14.164 6.484 ( 0.000 0.000 -6.839) 6.839 7.308 ( 0.000 0.000 -4.431) 4.431 7.335 ( 0.000 0.000 7.834) 7.834 8.405 ( 0.000 0.000 13.892) 13.892 8.646 ( 0.000 0.000 0.355) 0.355 8.671 ( 0.000 0.000 3.961) 3.961 8.762 ( 0.000 0.000 -24.384) 24.384 11.295 ( 0.000 0.000 -37.437) 37.437 11.311 ( 0.000 0.000 -10.550) 10.550 11.569 ( 0.000 0.000 -42.625) 42.625 12.926 ( 0.000 0.000 1.939) 1.939 13.105 ( 0.000 0.000 23.760) 23.760 13.347 ( 0.000 0.000 12.199) 12.199 15.211 ( 0.000 0.000 0.401) 0.401 15.380 ( 0.000 0.000 -3.477) 3.477 17.832 ( 0.000 0.000 -50.002) 50.002 18.111 ( 0.000 0.000 35.737) 35.737 18.535 ( 0.000 0.000 24.638) 24.638 20.541 ( 0.000 0.000 13.386) 13.386 21.254 ( 0.000 0.000 -4.613) 4.613 24.048 ( 0.000 0.000 -1.584) 1.584 24.328 ( 0.000 0.000 -5.687) 5.687 24.777 ( 0.000 0.000 2.427) 2.427 25.072 ( 0.000 0.000 -1.205) 1.205 26.877 ( 0.000 0.000 -3.272) 3.272 27.014 ( 0.000 0.000 -4.278) 4.278 27.202 ( 0.000 0.000 19.053) 19.053 29.663 ( 0.000 0.000 -9.825) 9.825 32.939 ( 0.000 0.000 -1.144) 1.144 32.987 ( 0.000 0.000 -1.377) 1.377 ======================= Grid point 251 (74/216) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 31.740 -15.091 43.061) 55.583 2.851 ( 12.565 -29.752 49.707) 59.277 4.439 ( 10.657 -23.804 76.323) 80.656 5.786 ( -1.678 0.289 -5.934) 6.173 5.883 ( 4.334 1.997 -1.780) 5.093 6.181 ( 1.173 0.492 -10.505) 10.581 6.584 ( 0.739 -8.301 -4.986) 9.712 7.178 ( -4.426 11.505 5.382) 13.451 7.297 ( 1.147 2.608 -1.764) 3.351 8.284 ( -19.540 3.938 -3.046) 20.164 8.591 ( -6.656 -9.810 1.420) 11.940 8.774 ( 2.990 -14.318 1.735) 14.730 9.199 ( 35.885 -12.047 -8.763) 38.854 10.926 ( -5.733 25.339 -32.934) 41.947 11.316 ( -2.496 -2.373 -14.151) 14.564 11.909 ( 7.029 -20.551 -41.225) 46.597 12.595 ( -10.233 17.476 9.031) 22.174 13.024 ( -4.639 5.521 20.866) 22.077 13.627 ( -4.011 -19.866 5.474) 20.993 15.019 ( -13.734 7.357 0.256) 15.582 15.487 ( 18.579 7.500 -2.117) 20.147 17.765 ( -6.665 5.420 -39.566) 40.488 18.050 ( 7.143 10.460 21.250) 24.739 18.553 ( -0.053 -2.925 26.206) 26.369 20.543 ( -3.460 -2.231 13.522) 14.134 21.205 ( -6.624 1.853 -3.835) 7.875 24.030 ( -0.402 1.735 -0.065) 1.782 24.384 ( 1.344 -5.629 -5.671) 8.103 24.541 ( 0.458 18.065 11.650) 21.500 25.246 ( -1.720 -13.480 -6.929) 15.253 26.783 ( -8.128 3.354 -0.240) 8.796 27.034 ( -5.983 -3.476 0.450) 6.935 27.237 ( 6.467 -1.198 14.753) 16.153 29.437 ( -47.639 -7.252 -3.171) 48.292 32.995 ( 7.720 -0.047 -2.160) 8.016 33.341 ( 57.685 -1.081 -13.764) 59.314 ======================= Grid point 252 (75/216) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 32.514 -20.823 32.276) 50.324 3.469 ( 17.973 -25.916 44.728) 54.729 5.124 ( 18.671 -26.723 31.268) 45.171 5.700 ( -3.586 -1.316 5.793) 6.939 5.994 ( 7.983 -9.047 4.261) 12.795 6.250 ( 6.154 -2.648 -4.032) 7.819 6.679 ( -1.621 -2.456 2.860) 4.103 7.016 ( -2.207 0.272 1.547) 2.709 7.257 ( 1.305 3.087 -0.801) 3.446 8.115 ( -20.523 -8.005 -6.569) 22.988 8.682 ( 4.227 -4.694 -2.763) 6.895 9.123 ( 4.963 -19.232 6.257) 20.825 9.724 ( 24.821 -10.106 -8.056) 27.984 10.500 ( 3.208 18.339 -26.054) 32.022 11.344 ( -1.997 -3.973 -13.091) 13.825 12.185 ( -7.763 -3.939 -14.417) 16.841 12.395 ( 2.298 -5.328 -14.125) 15.270 12.873 ( -2.004 6.419 10.442) 12.420 13.801 ( -12.091 -10.418 4.417) 16.560 14.741 ( -9.391 13.549 -0.947) 16.513 15.413 ( 5.617 14.602 4.504) 16.280 17.486 ( -12.561 16.704 -14.626) 25.509 17.952 ( 10.592 10.973 -8.720) 17.568 18.633 ( 4.214 -3.268 23.616) 24.211 20.551 ( -5.690 -4.095 14.495) 16.101 21.080 ( -10.572 2.617 -1.213) 10.959 23.992 ( -1.456 1.422 4.378) 4.828 24.300 ( 1.581 10.954 13.135) 17.177 24.545 ( 5.252 -8.879 -5.416) 11.651 25.422 ( -3.125 -10.676 -9.864) 14.868 26.671 ( -7.952 0.427 2.528) 8.355 26.997 ( -8.526 -0.771 7.118) 11.133 27.363 ( 10.143 -3.740 9.007) 14.071 29.132 ( -42.962 -9.028 -1.430) 43.924 33.094 ( 5.507 -3.936 -2.051) 7.073 33.859 ( 56.984 7.313 -19.984) 60.827 ======================= Grid point 253 (76/216) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 24.362 -17.151 22.560) 37.372 4.066 ( 17.909 -25.034 31.932) 44.352 5.269 ( 10.689 11.945 0.264) 16.032 5.782 ( -2.641 -1.854 -0.463) 3.260 6.153 ( -2.458 -0.809 6.161) 6.682 6.401 ( -0.045 1.017 0.411) 1.098 6.878 ( 5.076 -21.460 6.496) 22.989 7.198 ( 5.512 -11.940 7.090) 14.940 7.276 ( 11.912 -15.904 10.147) 22.311 8.138 ( -16.044 -14.217 -7.456) 22.697 8.875 ( 14.015 -8.658 0.083) 16.474 9.372 ( 0.876 -0.001 4.049) 4.142 9.782 ( -0.299 1.986 -9.914) 10.116 10.664 ( 24.183 -12.766 -13.497) 30.495 11.429 ( 5.636 -5.362 -7.714) 10.955 12.083 ( -14.620 -1.742 0.999) 14.757 12.498 ( 4.661 2.484 -3.478) 6.324 12.895 ( 4.537 -7.521 -25.865) 27.316 13.742 ( -18.937 -0.715 5.304) 19.678 14.379 ( -7.620 20.063 -1.223) 21.496 15.165 ( -5.004 14.325 7.708) 17.020 17.032 ( -13.203 21.159 -6.504) 25.775 17.893 ( 11.030 8.609 -17.278) 22.233 18.689 ( 2.720 1.750 15.191) 15.532 20.568 ( -6.535 -5.023 16.140) 18.123 20.945 ( -9.018 1.537 3.722) 9.876 23.968 ( -1.374 -0.415 8.066) 8.193 24.183 ( 2.001 6.034 9.987) 11.838 24.775 ( 8.992 -10.285 -6.548) 15.149 25.539 ( -4.939 -8.034 -12.095) 15.337 26.617 ( -4.851 -1.113 3.972) 6.368 26.907 ( -8.884 1.157 9.810) 13.286 27.538 ( 12.246 -4.133 7.443) 14.915 28.901 ( -32.206 -6.131 -1.890) 32.839 33.218 ( 4.271 -4.918 -1.824) 6.764 34.187 ( 40.448 8.789 -17.632) 44.991 ======================= Grid point 254 (77/216) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( 14.520 -9.955 13.708) 22.312 4.587 ( 10.581 -18.446 15.405) 26.259 5.184 ( 10.776 8.987 7.650) 15.981 5.725 ( 1.027 4.120 -2.519) 4.937 6.137 ( -5.072 -2.336 4.812) 7.371 6.244 ( -6.738 9.247 -0.705) 11.464 7.170 ( 3.179 -10.028 -7.927) 13.172 7.254 ( 0.650 -6.951 3.281) 7.714 7.957 ( 9.402 -18.262 10.656) 23.140 8.263 ( -8.123 -14.060 -6.733) 17.578 9.029 ( 0.843 1.500 10.314) 10.457 9.477 ( 31.371 -14.793 7.619) 35.511 9.895 ( -5.673 -10.757 -4.089) 12.830 10.990 ( 6.822 -3.852 -2.396) 8.192 11.676 ( 18.912 -9.513 -1.491) 21.222 11.988 ( -10.225 -2.764 -4.506) 11.510 12.525 ( 4.134 -1.906 -1.012) 4.663 13.011 ( 0.682 2.952 -28.186) 28.348 13.517 ( -20.143 0.379 1.164) 20.180 13.966 ( -6.961 19.983 -1.355) 21.204 14.883 ( -8.132 11.033 3.196) 14.074 16.600 ( -9.350 16.436 -6.529) 20.005 17.885 ( 10.764 4.871 -14.406) 18.631 18.616 ( -3.368 5.986 5.173) 8.599 20.589 ( -5.195 -4.217 17.962) 19.168 20.870 ( -4.230 -0.034 9.238) 10.161 23.980 ( -0.758 -2.078 8.962) 9.230 24.118 ( 1.302 4.078 8.214) 9.263 25.041 ( 11.504 -9.446 -8.331) 17.058 25.583 ( -7.254 -4.078 -14.122) 16.391 26.605 ( -1.860 -1.034 5.822) 6.199 26.801 ( -7.639 1.636 10.819) 13.345 27.720 ( 12.399 -3.100 7.306) 14.721 28.712 ( -22.779 -2.906 -1.538) 23.015 33.326 ( 2.703 -3.849 -1.518) 4.943 34.366 ( 23.772 6.246 -14.991) 28.789 ======================= Grid point 255 (78/216) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.335 ( 6.251 -5.652 7.702) 11.417 4.737 ( -0.919 2.953 6.168) 6.900 5.276 ( 7.699 -6.301 7.540) 12.484 5.706 ( 3.415 2.044 5.156) 6.513 6.025 ( -5.941 5.851 -1.552) 8.482 6.142 ( -2.309 -1.011 2.224) 3.362 7.224 ( 1.065 -0.013 -1.220) 1.619 7.537 ( 4.612 -15.844 -7.840) 18.269 8.075 ( 0.646 3.107 2.434) 3.999 8.140 ( -10.901 8.189 -4.000) 14.209 9.233 ( 10.160 -8.911 11.652) 17.844 9.917 ( -8.863 -3.922 -4.044) 10.502 10.199 ( 26.921 -25.623 16.518) 40.671 10.900 ( -6.244 13.437 10.555) 18.192 11.944 ( 1.652 -8.942 -3.037) 9.588 12.062 ( 6.109 -4.958 -9.055) 11.996 12.512 ( -2.862 8.123 7.331) 11.310 12.855 ( -2.523 3.585 -21.642) 22.081 13.460 ( -5.690 -5.878 -9.197) 12.309 13.638 ( -3.796 11.966 -3.372) 12.999 14.689 ( -3.791 4.362 -4.141) 7.110 16.348 ( -3.265 6.121 -7.693) 10.359 17.926 ( 5.900 0.962 -8.833) 10.666 18.481 ( -3.952 3.751 -2.846) 6.147 20.605 ( -1.841 -1.643 19.385) 19.542 20.852 ( -1.021 -0.277 12.284) 12.329 24.016 ( -0.436 -2.735 8.840) 9.264 24.068 ( 0.641 3.178 7.776) 8.425 25.278 ( 9.397 -5.478 -10.137) 14.868 25.535 ( -7.547 0.434 -15.040) 16.833 26.608 ( -0.096 -0.284 8.560) 8.565 26.725 ( -3.392 0.659 9.945) 10.529 27.854 ( 6.379 -1.213 7.482) 9.907 28.579 ( -9.576 -0.710 -1.081) 9.663 33.389 ( 0.917 -1.441 -1.296) 2.144 34.446 ( 7.848 2.208 -13.685) 15.929 ======================= Grid point 262 (79/216) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 20.304 0.000 51.802) 55.639 2.858 ( 57.888 0.000 35.324) 67.815 4.401 ( 22.869 0.000 79.348) 82.578 5.808 ( 2.679 0.000 -7.112) 7.600 5.902 ( 1.014 0.000 0.148) 1.025 6.216 ( 0.553 0.000 -13.179) 13.190 6.523 ( 4.458 0.000 -3.121) 5.442 7.246 ( -4.745 -0.000 -6.104) 7.732 7.309 ( -2.596 -0.000 6.367) 6.876 8.030 ( -30.803 -0.000 -3.675) 31.021 8.576 ( 11.605 0.000 10.334) 15.539 8.702 ( 10.518 0.000 2.161) 10.738 9.458 ( 35.945 0.000 -13.277) 38.318 11.046 ( -17.157 -0.000 -19.400) 25.898 11.276 ( -3.054 -0.000 -36.592) 36.719 11.832 ( 18.129 0.000 -31.934) 36.721 12.658 ( -21.739 -0.000 6.475) 22.683 12.868 ( -19.668 -0.000 19.377) 27.610 13.474 ( 8.076 0.000 13.755) 15.950 14.910 ( -16.833 -0.000 -1.306) 16.884 15.796 ( 21.987 0.000 -8.251) 23.484 17.758 ( -5.316 -0.000 -35.494) 35.890 18.213 ( 8.365 0.000 21.890) 23.434 18.489 ( -4.857 -0.000 25.624) 26.080 20.472 ( -7.053 -0.000 12.776) 14.594 21.135 ( -11.068 -0.000 -3.854) 11.720 24.047 ( -0.280 -0.000 0.958) 0.998 24.345 ( 1.664 0.000 -5.306) 5.561 24.774 ( -0.288 -0.000 1.516) 1.543 25.034 ( -3.557 -0.000 -0.877) 3.663 26.637 ( -24.316 -0.000 10.669) 26.553 26.951 ( -5.277 -0.000 3.234) 6.189 27.296 ( 8.567 0.000 11.717) 14.515 28.907 ( -39.137 -0.000 8.791) 40.112 33.000 ( 1.280 0.000 -0.374) 1.334 34.103 ( 79.446 0.000 -38.892) 88.455 ======================= Grid point 263 (80/216) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 26.664 -18.677 42.863) 53.824 3.457 ( 44.202 -8.711 36.130) 57.750 4.907 ( 38.933 -22.699 53.104) 69.649 5.736 ( -4.186 6.441 -5.205) 9.279 5.979 ( 4.344 -4.266 3.696) 7.123 6.249 ( 6.810 -2.720 -10.047) 12.438 6.627 ( 4.356 -4.178 1.916) 6.332 7.094 ( -2.617 9.245 -0.425) 9.618 7.301 ( -0.450 0.470 -0.248) 0.697 7.796 ( -21.925 -4.120 -1.659) 22.371 8.670 ( 5.003 -3.383 1.257) 6.169 8.987 ( 21.779 -10.912 7.973) 25.632 9.829 ( 24.456 -6.554 -12.732) 28.340 10.748 ( -8.816 14.864 -24.591) 30.056 11.270 ( -2.787 -4.111 -22.753) 23.288 12.079 ( 5.367 -5.005 -22.635) 23.795 12.356 ( -7.516 3.394 -1.988) 8.483 12.774 ( -20.250 -6.703 12.161) 24.554 13.589 ( 0.591 -5.162 10.561) 11.770 14.721 ( -17.640 3.038 -2.902) 18.134 15.810 ( 11.062 16.858 -3.478) 20.461 17.611 ( -8.573 11.533 -22.638) 26.814 18.179 ( 4.015 8.600 4.361) 10.445 18.564 ( 1.917 -9.379 27.110) 28.751 20.416 ( -9.537 -3.016 12.690) 16.158 21.006 ( -11.960 1.540 -2.264) 12.269 24.013 ( -1.414 2.685 5.352) 6.152 24.426 ( 2.630 -5.186 -4.734) 7.498 24.564 ( 2.139 13.412 6.413) 15.020 25.188 ( -3.874 -13.652 -7.109) 15.872 26.452 ( -23.965 -7.392 13.955) 28.701 26.905 ( -6.954 -0.917 6.972) 9.890 27.406 ( 10.658 -2.125 8.779) 13.970 28.691 ( -19.079 -4.501 3.274) 19.874 33.044 ( 1.423 -3.459 0.373) 3.759 34.667 ( 60.841 13.536 -40.319) 74.232 ======================= Grid point 264 (81/216) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 26.792 -19.464 33.236) 46.918 3.992 ( 33.271 -11.219 29.945) 46.147 5.509 ( 13.733 2.172 -1.308) 13.966 5.638 ( -1.617 -10.263 10.545) 14.803 6.115 ( 4.666 -2.287 8.881) 10.289 6.405 ( 6.636 -4.049 -4.545) 9.005 6.716 ( 7.101 -5.184 10.043) 13.348 7.064 ( 11.400 -7.503 9.490) 16.623 7.297 ( 5.157 0.511 0.563) 5.213 7.788 ( -9.668 -12.577 -2.407) 16.045 8.820 ( 5.497 -8.565 -1.307) 10.261 9.376 ( 23.053 -8.534 8.389) 25.974 9.912 ( -4.971 10.514 -15.977) 19.761 10.652 ( 10.213 -5.953 -16.536) 20.327 11.393 ( 6.775 -9.319 -15.466) 19.286 11.946 ( -14.439 4.205 5.064) 15.868 12.497 ( 3.193 -5.710 -13.385) 14.898 12.744 ( -7.138 -10.681 -14.280) 19.208 13.597 ( -8.350 0.605 8.445) 11.892 14.465 ( -18.363 7.250 -4.791) 20.316 15.523 ( 4.089 24.212 5.557) 25.176 17.218 ( -15.810 19.789 -8.292) 26.652 18.090 ( 3.758 6.370 -12.447) 14.479 18.716 ( 3.776 -3.001 19.887) 20.464 20.393 ( -10.616 -6.009 14.067) 18.619 20.886 ( -7.598 0.804 2.286) 7.975 23.958 ( -1.846 1.375 10.219) 10.475 24.337 ( 2.180 9.724 5.428) 11.348 24.675 ( 7.689 -11.272 -5.476) 14.703 25.343 ( -4.759 -10.013 -10.202) 15.066 26.411 ( -17.857 -10.842 9.964) 23.145 26.841 ( -7.734 0.113 9.443) 12.207 27.566 ( 11.017 -4.346 7.340) 13.933 28.615 ( -9.765 -1.954 -0.936) 10.002 33.129 ( 0.101 -5.588 0.802) 5.647 34.872 ( 42.882 19.856 -30.430) 56.206 ======================= Grid point 265 (82/216) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 23.923 -7.907 18.983) 31.546 4.439 ( 19.310 -12.642 20.684) 30.992 5.459 ( 8.709 8.184 0.969) 11.990 5.767 ( -1.428 -3.598 0.074) 3.872 6.035 ( -7.459 4.274 6.632) 10.857 6.347 ( -3.401 9.166 -1.832) 9.947 6.963 ( 5.618 -14.434 1.002) 15.521 7.258 ( 3.703 -0.063 2.902) 4.706 7.786 ( 33.612 -27.985 15.024) 46.246 7.961 ( 0.659 -13.610 -0.210) 13.628 8.978 ( -3.744 -4.852 3.777) 7.199 9.588 ( 5.198 2.161 -3.302) 6.527 9.802 ( 16.035 -3.916 -1.166) 16.547 10.913 ( 5.958 -11.606 -10.347) 16.651 11.648 ( -0.042 -7.852 -4.933) 9.273 11.802 ( -5.510 -5.815 -0.031) 8.010 12.531 ( 0.430 -2.403 -1.493) 2.861 12.966 ( 4.771 -10.954 -32.906) 35.008 13.398 ( -17.037 7.903 6.374) 19.833 14.138 ( -14.922 12.031 -5.955) 20.071 15.153 ( 2.472 22.907 8.985) 24.730 16.736 ( -18.027 16.877 -4.742) 25.145 18.034 ( 3.391 4.821 -15.030) 16.145 18.696 ( -1.375 6.241 8.020) 10.255 20.420 ( -8.353 -8.305 17.205) 20.851 20.844 ( -1.017 -0.515 8.120) 8.199 23.940 ( -1.380 -1.027 12.061) 12.184 24.227 ( 2.435 6.651 4.431) 8.354 24.963 ( 9.710 -12.543 -8.053) 17.789 25.428 ( -6.181 -6.510 -11.779) 14.810 26.441 ( -13.031 -10.151 7.833) 18.281 26.763 ( -6.387 0.662 10.287) 12.127 27.738 ( 7.937 -4.486 7.091) 11.550 28.563 ( -2.580 0.506 -1.818) 3.197 33.217 ( -2.732 -6.239 0.966) 6.879 34.878 ( 29.132 20.289 -22.265) 41.906 ======================= Grid point 266 (83/216) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( 12.413 1.797 9.997) 16.039 4.755 ( 7.707 -6.324 8.398) 13.035 5.394 ( 10.504 9.084 7.144) 15.617 5.792 ( 2.946 1.092 2.031) 3.741 5.971 ( -8.513 -4.521 5.956) 11.331 6.142 ( -3.543 8.417 -1.829) 9.314 7.267 ( 6.060 -1.257 -3.662) 7.191 7.308 ( 6.128 -14.537 5.090) 16.577 8.083 ( 4.653 -3.358 -5.591) 8.012 8.292 ( 9.859 7.551 -2.789) 12.728 9.111 ( 8.330 -17.721 20.010) 27.997 9.661 ( -9.498 -12.429 -0.656) 15.656 10.127 ( 20.665 -9.180 4.980) 23.154 11.029 ( -1.623 4.975 1.765) 5.522 11.657 ( -10.954 -13.143 -2.687) 17.320 12.016 ( 3.010 -11.190 -6.472) 13.273 12.631 ( 8.719 0.006 -4.598) 9.857 12.906 ( -14.012 12.962 -2.932) 19.311 13.263 ( -3.491 -7.776 -19.834) 21.588 13.841 ( -3.650 10.872 -8.089) 14.034 14.858 ( 4.670 15.686 5.815) 17.368 16.368 ( -15.313 7.271 -4.533) 17.547 17.980 ( -1.300 3.826 -11.308) 12.009 18.545 ( -2.285 7.196 -2.477) 7.946 20.496 ( -4.269 -7.753 19.456) 21.375 20.865 ( 3.260 -0.141 11.993) 12.429 23.959 ( -1.268 -2.420 11.963) 12.271 24.155 ( 2.312 4.966 4.391) 7.020 25.235 ( 5.761 -8.785 -9.942) 14.464 25.448 ( -4.075 -3.671 -13.412) 14.490 26.483 ( -9.757 -7.875 8.830) 15.335 26.717 ( -2.371 -0.795 9.063) 9.401 27.828 ( -1.153 -1.536 7.799) 8.032 28.583 ( 9.092 -0.054 -1.765) 9.262 33.274 ( -6.621 -5.822 0.845) 8.857 34.775 ( 17.342 18.904 -17.258) 30.918 ======================= Grid point 267 (84/216) ======================= q-point: (-0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( 0.615 4.866 6.520) 8.160 4.789 ( 5.960 5.257 6.649) 10.362 5.361 ( -0.191 6.412 4.682) 7.942 5.728 ( -1.505 7.734 5.778) 9.770 5.963 ( 0.737 -5.316 3.017) 6.156 6.127 ( 1.470 -3.711 0.798) 4.070 7.259 ( 2.749 3.643 0.070) 4.565 7.645 ( 5.525 -7.069 -8.810) 12.574 8.007 ( -1.654 2.951 1.148) 3.572 8.288 ( 20.362 5.059 -0.255) 20.982 9.245 ( -9.382 4.678 5.709) 11.937 9.952 ( 12.075 -16.934 3.777) 21.138 10.232 ( -22.080 7.094 12.199) 26.204 10.819 ( -2.880 4.751 10.033) 11.469 11.789 ( -15.276 -5.970 -6.588) 17.675 12.177 ( 2.594 -3.041 -5.555) 6.843 12.505 ( 2.621 4.675 3.409) 6.352 12.793 ( -1.862 -2.095 -15.257) 15.513 13.383 ( 3.933 -7.412 -8.112) 11.671 13.744 ( 7.711 4.427 -14.057) 16.633 14.762 ( 11.015 4.514 1.913) 12.057 16.224 ( -10.218 -5.104 -2.681) 11.732 17.860 ( -9.447 3.896 -11.441) 15.340 18.485 ( 2.389 -0.161 -4.614) 5.198 20.582 ( -0.390 -5.099 19.299) 19.965 20.899 ( 5.189 1.137 12.974) 14.019 23.986 ( -1.870 -2.390 10.752) 11.172 24.107 ( 2.597 3.593 5.670) 7.197 25.247 ( -9.997 2.280 -8.858) 13.550 25.566 ( 8.265 -5.175 -16.211) 18.918 26.516 ( -6.405 -5.792 9.610) 12.920 26.749 ( 2.533 -2.785 7.552) 8.438 27.769 ( -9.632 1.536 9.116) 13.351 28.741 ( 20.415 -1.338 -2.368) 20.595 33.278 ( -11.044 -4.803 0.409) 12.051 34.590 ( 6.312 17.225 -14.236) 23.221 ======================= Grid point 268 (85/216) ======================= q-point: (-0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( -0.979 13.202 9.868) 16.511 4.736 ( -3.285 6.711 8.543) 11.350 5.108 ( -9.309 13.352 11.066) 19.683 5.667 ( 0.961 -2.147 -0.194) 2.360 6.113 ( 0.112 -6.760 3.425) 7.579 6.212 ( 7.139 -3.670 1.589) 8.183 7.211 ( -0.306 3.266 -0.385) 3.303 7.486 ( -1.137 16.067 -10.142) 19.034 8.176 ( 9.832 2.082 6.582) 12.014 8.455 ( 19.502 -2.792 -4.339) 20.173 8.986 ( -13.505 6.837 5.036) 15.953 9.553 ( -30.880 29.542 12.286) 44.467 10.173 ( 13.992 9.174 -2.898) 16.981 10.859 ( -14.191 -8.308 6.092) 17.536 11.582 ( -21.950 -0.951 3.788) 22.295 12.058 ( -2.372 9.240 -3.366) 10.117 12.635 ( 8.761 5.794 -4.068) 11.264 12.860 ( -2.544 -12.946 -25.699) 28.888 13.626 ( 13.596 -10.918 1.826) 17.533 13.796 ( 7.356 -2.495 -13.488) 15.564 14.899 ( 16.742 -3.394 4.194) 17.590 16.349 ( -3.718 -17.966 1.742) 18.429 17.717 ( -11.814 -0.053 -18.550) 21.992 18.554 ( 1.248 -4.480 1.771) 4.977 20.651 ( 2.860 -1.602 18.283) 18.574 20.932 ( 6.421 1.067 10.386) 12.257 23.993 ( -1.810 -0.569 8.186) 8.403 24.092 ( 2.093 0.900 8.775) 9.066 25.064 ( -10.840 6.576 -7.188) 14.574 25.686 ( 6.685 -0.044 -16.817) 18.097 26.555 ( -3.342 -4.443 7.327) 9.198 26.847 ( 6.796 -3.314 7.575) 10.703 27.623 ( -12.747 2.415 10.319) 16.577 28.994 ( 27.497 -1.026 -4.155) 27.828 33.219 ( -15.648 -3.642 -0.267) 16.068 34.328 ( -3.914 15.765 -12.180) 20.303 ======================= Grid point 269 (86/216) ======================= q-point: (-0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( -4.522 24.992 20.131) 32.408 4.371 ( -10.802 25.984 20.272) 34.682 4.973 ( -10.303 -8.429 7.012) 15.046 5.791 ( 7.077 -6.061 -2.507) 9.649 6.133 ( -4.339 -0.900 1.291) 4.616 6.383 ( 6.812 -4.895 3.589) 9.124 7.142 ( -0.103 6.818 -4.726) 8.296 7.246 ( -1.163 10.107 -1.157) 10.239 7.759 ( -9.439 44.673 23.185) 51.208 8.508 ( 8.991 11.784 -7.972) 16.830 8.872 ( -10.954 4.895 0.277) 12.001 9.239 ( 11.528 -13.795 -2.830) 18.199 9.981 ( 1.763 19.804 -1.721) 19.957 10.569 ( -35.202 10.848 -9.319) 37.996 11.527 ( 5.623 4.733 3.119) 7.984 12.040 ( -6.758 -14.816 7.091) 17.762 12.513 ( 3.979 11.062 -5.485) 12.972 12.943 ( -4.827 2.064 -35.464) 35.851 13.911 ( 17.330 -3.042 -0.432) 17.600 14.029 ( 0.116 -21.471 -0.926) 21.491 15.132 ( 14.769 -4.818 7.579) 17.285 16.727 ( 3.543 -26.712 7.393) 27.941 17.652 ( -10.917 -5.241 -27.365) 29.925 18.618 ( -2.699 -3.451 10.704) 11.566 20.678 ( 3.558 2.179 17.785) 18.267 21.003 ( 7.825 -1.464 4.677) 9.233 23.982 ( -0.418 0.155 6.426) 6.442 24.110 ( 0.297 -1.576 11.662) 11.772 24.846 ( -7.924 8.364 -5.852) 12.922 25.694 ( 4.028 5.103 -15.082) 16.423 26.599 ( -1.097 -3.609 4.264) 5.693 26.974 ( 9.238 -2.326 7.235) 11.962 27.460 ( -12.773 2.307 10.719) 16.833 29.292 ( 32.199 -0.162 -7.124) 32.979 33.100 ( -20.183 -2.800 -0.858) 20.394 33.997 ( -11.587 15.125 -10.258) 21.640 ======================= Grid point 270 (87/216) ======================= q-point: (-0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( -10.481 33.163 30.502) 46.260 3.813 ( -7.325 29.004 36.428) 47.137 5.092 ( -5.929 -11.344 3.215) 13.197 5.900 ( 9.152 5.369 -1.192) 10.677 6.112 ( -7.246 -0.754 -1.835) 7.513 6.313 ( -5.209 22.308 21.840) 31.650 6.807 ( -0.767 19.009 11.201) 22.077 7.146 ( 1.315 11.560 0.215) 11.637 7.198 ( -2.523 0.185 -0.052) 2.531 8.367 ( 1.773 8.280 -3.201) 9.052 8.799 ( 10.017 5.303 -13.501) 17.628 9.448 ( 4.539 16.978 3.546) 17.929 9.733 ( -4.144 10.331 -3.010) 11.531 10.119 ( -23.473 -10.041 -18.496) 31.526 11.463 ( 4.140 7.245 -9.701) 12.796 12.277 ( 3.716 -8.402 0.985) 9.239 12.416 ( -1.052 1.998 -0.680) 2.358 12.794 ( -4.322 4.736 -23.587) 24.443 14.033 ( 8.914 3.832 -0.618) 9.722 14.428 ( -0.362 -25.196 2.150) 25.290 15.303 ( 6.115 -3.232 6.682) 9.617 17.242 ( 7.874 -27.141 12.793) 31.021 17.669 ( -9.581 -8.155 -34.898) 37.097 18.617 ( -3.163 -0.281 19.278) 19.538 20.655 ( 2.306 3.731 16.435) 17.010 21.114 ( 5.994 -3.153 -0.221) 6.777 23.987 ( 0.450 -0.662 4.083) 4.161 24.157 ( -0.678 -4.843 15.342) 16.102 24.648 ( -3.668 8.693 -5.431) 10.886 25.605 ( 1.829 8.613 -12.305) 15.131 26.658 ( 0.492 -3.937 1.477) 4.234 27.089 ( 9.516 -0.337 5.585) 11.039 27.308 ( -10.951 2.151 11.226) 15.830 29.600 ( 30.020 0.148 -11.737) 32.233 32.934 ( -21.870 -2.184 -0.439) 21.983 33.623 ( -11.736 15.611 -7.487) 20.917 ======================= Grid point 271 (88/216) ======================= q-point: (-0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 0.000 31.102 39.544) 50.310 3.300 ( 0.000 29.112 47.304) 55.544 4.934 ( 0.000 33.101 42.158) 53.601 5.764 ( 0.000 2.359 10.491) 10.753 5.874 ( 0.000 5.707 -5.525) 7.943 6.197 ( 0.000 0.890 -3.717) 3.822 6.701 ( 0.000 4.249 -0.480) 4.276 7.053 ( -0.000 -1.867 4.542) 4.911 7.239 ( -0.000 -3.620 -3.375) 4.949 8.311 ( 0.000 0.275 -0.350) 0.445 8.806 ( 0.000 3.009 -22.325) 22.527 9.074 ( 0.000 23.727 7.458) 24.872 9.304 ( 0.000 23.802 2.644) 23.949 10.478 ( -0.000 -29.505 -28.719) 41.174 11.386 ( 0.000 4.480 -11.982) 12.792 12.216 ( 0.000 17.020 -39.098) 42.642 12.424 ( -0.000 -6.875 6.375) 9.376 12.870 ( -0.000 -12.136 16.884) 20.793 13.944 ( 0.000 12.654 -0.195) 12.655 14.821 ( -0.000 -21.423 2.353) 21.552 15.357 ( -0.000 -1.129 2.731) 2.955 17.721 ( -0.000 -22.398 26.858) 34.972 17.722 ( -0.000 -6.004 -48.663) 49.032 18.587 ( 0.000 1.746 24.922) 24.983 20.606 ( 0.000 3.384 14.693) 15.077 21.197 ( -0.000 -2.973 -2.861) 4.126 24.007 ( -0.000 -1.348 1.023) 1.693 24.284 ( -0.000 -11.597 17.687) 21.150 24.493 ( 0.000 7.964 -5.646) 9.762 25.453 ( 0.000 10.794 -9.826) 14.597 26.737 ( -0.000 -4.921 -0.993) 5.020 27.138 ( 0.000 3.069 -3.917) 4.976 27.206 ( 0.000 0.752 19.529) 19.544 29.768 ( 0.000 1.696 -15.902) 15.992 32.825 ( -0.000 -1.764 1.088) 2.073 33.306 ( 0.000 14.126 -4.363) 14.784 ======================= Grid point 274 (89/216) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 27.157 0.000 43.901) 51.622 3.798 ( 36.142 0.000 41.461) 55.002 5.202 ( 54.401 0.000 34.072) 64.190 5.770 ( -7.559 -0.000 -8.241) 11.183 5.931 ( 3.377 0.000 10.902) 11.413 6.309 ( 9.354 0.000 -9.006) 12.985 6.665 ( 10.429 0.000 6.105) 12.084 7.211 ( 4.376 0.000 -8.223) 9.315 7.246 ( -3.722 -0.000 3.880) 5.377 7.587 ( -14.353 -0.000 2.654) 14.596 8.675 ( 3.498 0.000 0.401) 3.521 9.177 ( 33.673 0.000 10.003) 35.127 9.947 ( 9.308 0.000 -15.278) 17.890 10.848 ( 1.889 0.000 -17.433) 17.535 11.120 ( -14.287 -0.000 -29.063) 32.384 12.141 ( 5.075 0.000 -13.839) 14.741 12.300 ( -13.184 -0.000 -0.043) 13.184 12.470 ( -12.093 -0.000 2.004) 12.258 13.593 ( 3.755 0.000 9.806) 10.501 14.556 ( -20.993 -0.000 -4.051) 21.380 16.012 ( -1.284 -0.000 -7.970) 8.073 17.685 ( -1.551 -0.000 -25.876) 25.922 18.356 ( -8.479 -0.000 28.770) 29.993 18.378 ( 8.234 0.000 14.455) 16.636 20.285 ( -11.985 -0.000 11.406) 16.546 20.905 ( -11.108 -0.000 -3.080) 11.527 24.032 ( -1.212 -0.000 8.145) 8.235 24.386 ( 2.491 0.000 -4.291) 4.962 24.765 ( -0.662 -0.000 -0.926) 1.138 24.964 ( -3.100 -0.000 -2.809) 4.184 26.129 ( -23.644 -0.000 21.175) 31.740 26.834 ( -6.721 -0.000 8.225) 10.622 27.500 ( 12.202 0.000 7.224) 14.180 28.590 ( 0.340 0.000 -1.585) 1.621 33.031 ( 1.824 0.000 2.200) 2.858 35.296 ( 43.755 0.000 -46.057) 63.527 ======================= Grid point 275 (90/216) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( 24.289 -18.539 38.364) 49.045 4.170 ( 30.053 -7.523 36.985) 48.246 5.562 ( 0.431 5.006 4.624) 6.828 5.676 ( 10.791 1.011 -3.041) 11.257 6.126 ( 16.347 -7.731 16.360) 24.385 6.428 ( 9.880 -2.539 -7.202) 12.487 6.770 ( 9.831 0.864 11.414) 15.089 7.141 ( 6.265 3.086 9.256) 11.595 7.367 ( 14.904 -2.186 -2.739) 15.310 7.564 ( 0.360 -8.045 0.898) 8.103 8.752 ( 4.780 -4.568 -1.676) 6.821 9.554 ( 33.832 -3.255 8.985) 35.156 9.947 ( -8.486 1.631 -16.578) 18.695 10.726 ( 0.395 8.174 -18.029) 19.799 11.206 ( -0.964 -15.545 -16.472) 22.670 11.915 ( -18.096 8.061 7.309) 21.115 12.336 ( -11.004 -10.576 -1.902) 15.380 12.576 ( 14.443 -6.893 -26.968) 31.359 13.589 ( -2.101 3.004 6.651) 7.595 14.332 ( -22.650 1.375 -5.595) 23.371 15.833 ( -9.995 12.261 -2.799) 16.065 17.452 ( -7.228 23.046 -4.789) 24.623 18.193 ( -1.012 4.933 -3.977) 6.417 18.632 ( 4.332 -12.258 24.004) 27.299 20.190 ( -13.584 -3.514 11.621) 18.219 20.818 ( -6.754 -0.754 -0.695) 6.832 23.982 ( -1.551 3.275 12.512) 13.027 24.474 ( 2.321 -1.844 -3.714) 4.752 24.618 ( 3.046 4.352 0.056) 5.312 25.114 ( -3.476 -12.760 -8.889) 15.935 26.021 ( -18.817 -10.364 16.959) 27.369 26.769 ( -7.097 -0.041 9.825) 12.120 27.634 ( 12.654 -1.572 6.279) 14.214 28.617 ( 6.190 1.812 -4.796) 8.038 33.068 ( 1.096 -2.371 3.400) 4.288 35.522 ( 30.098 13.729 -38.105) 50.462 ======================= Grid point 276 (91/216) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( 19.964 -19.693 30.075) 41.120 4.574 ( 25.602 -5.329 19.807) 32.805 5.439 ( -10.255 -2.914 4.918) 11.740 5.722 ( 1.705 0.977 1.443) 2.438 6.193 ( 4.158 11.294 6.694) 13.771 6.482 ( 2.862 6.471 -5.450) 8.931 6.851 ( 6.616 -5.534 8.398) 12.039 7.280 ( 8.129 -5.410 7.461) 12.289 7.653 ( 14.143 -13.348 7.709) 20.919 7.931 ( 39.841 -14.138 5.578) 42.641 8.880 ( 1.821 -3.928 -2.796) 5.154 9.624 ( -11.454 7.623 -10.611) 17.375 10.003 ( 27.419 -0.674 2.139) 27.511 10.744 ( -1.744 -10.657 -14.120) 17.776 11.444 ( -7.779 -10.969 -4.882) 14.306 11.681 ( -8.853 -0.941 4.441) 9.949 12.438 ( 0.395 -9.401 -5.767) 11.036 12.858 ( 13.374 -9.527 -32.085) 36.042 13.409 ( -13.663 10.298 3.488) 17.461 14.098 ( -17.861 2.866 -7.340) 19.522 15.495 ( -9.306 15.609 3.794) 18.565 16.903 ( -15.069 26.886 8.597) 31.997 18.131 ( 1.922 4.330 -18.100) 18.710 18.765 ( 1.104 0.765 13.626) 13.692 20.167 ( -12.177 -9.531 15.623) 21.982 20.815 ( -0.332 -2.741 4.972) 5.687 23.929 ( -1.162 1.240 14.869) 14.966 24.379 ( 2.069 8.782 -0.434) 9.033 24.813 ( 6.026 -14.274 -5.095) 16.310 25.257 ( -3.608 -8.595 -11.685) 14.948 26.067 ( -16.572 -14.689 11.665) 25.029 26.702 ( -6.630 -0.001 10.813) 12.684 27.780 ( 11.097 -1.658 5.900) 12.677 28.638 ( 8.288 3.582 -4.845) 10.247 33.117 ( -1.252 -3.215 4.008) 5.288 35.477 ( 21.597 20.299 -28.548) 41.152 ======================= Grid point 277 (92/216) ======================= q-point: ( 0.45 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.545 ( 13.326 -4.784 15.383) 20.907 4.765 ( 14.362 0.598 10.561) 17.837 5.492 ( -9.407 -9.826 3.814) 14.128 5.721 ( 0.752 -0.828 6.167) 6.268 6.005 ( 4.601 11.435 9.655) 15.657 6.321 ( 1.247 12.953 -3.948) 13.599 7.092 ( 6.540 -14.564 10.352) 19.027 7.407 ( 13.730 2.590 0.557) 13.983 8.001 ( 8.228 -14.500 -0.681) 16.686 8.590 ( 39.942 -1.601 1.795) 40.015 8.854 ( -5.206 -9.533 10.931) 15.410 9.463 ( -9.889 -0.417 -5.610) 11.377 10.218 ( 11.301 -0.535 0.273) 11.317 10.951 ( -4.776 -13.481 -10.035) 17.471 11.394 ( -9.672 -3.990 2.122) 10.676 11.819 ( 1.859 -12.017 -2.062) 12.334 12.653 ( 10.570 -8.079 -7.622) 15.333 12.980 ( -18.955 12.708 -1.272) 22.856 13.151 ( 6.848 -6.508 -27.083) 28.684 13.904 ( -8.943 4.693 -9.362) 13.771 15.182 ( -2.152 14.667 8.498) 17.087 16.360 ( -19.128 17.150 9.285) 27.317 18.064 ( 1.709 6.474 -17.033) 18.302 18.654 ( -3.510 8.701 -0.920) 9.427 20.270 ( -6.822 -13.027 20.403) 25.150 20.883 ( 3.962 -2.631 10.051) 11.120 23.919 ( -0.841 -1.009 15.067) 15.124 24.273 ( 2.244 6.601 0.293) 6.978 25.098 ( 2.503 -12.375 -7.631) 14.752 25.346 ( -0.323 -6.175 -13.034) 14.426 26.168 ( -14.282 -15.053 9.064) 22.644 26.655 ( -4.763 -1.437 10.292) 11.431 27.864 ( 6.022 2.580 6.430) 9.180 28.693 ( 12.081 0.412 -3.723) 12.649 33.140 ( -4.834 -2.912 4.158) 7.009 35.292 ( 14.820 22.737 -21.754) 34.782 ======================= Grid point 278 (93/216) ======================= q-point: ( 0.55 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.540 ( 4.796 9.492 7.953) 13.280 4.911 ( 7.771 -0.600 5.973) 9.820 5.440 ( -8.092 3.638 3.915) 9.698 5.803 ( 2.573 -5.404 4.859) 7.710 5.927 ( 0.680 6.308 8.992) 11.005 6.162 ( 6.276 6.254 -0.550) 8.877 7.372 ( 5.212 -3.561 9.625) 11.510 7.515 ( 15.065 -6.996 1.111) 16.647 8.117 ( -1.128 8.973 -11.520) 14.646 8.625 ( 23.244 4.996 2.778) 23.937 9.230 ( -5.401 2.945 2.168) 6.523 9.538 ( 5.028 -32.183 16.357) 36.450 10.175 ( -14.014 4.451 0.916) 14.732 10.947 ( -2.366 10.678 -0.386) 10.944 11.497 ( -13.465 -14.259 -11.631) 22.801 11.992 ( -6.288 -10.715 -6.944) 14.233 12.607 ( -5.053 8.506 6.546) 11.864 12.862 ( 13.463 0.257 -9.100) 16.252 13.346 ( 8.379 -6.408 -18.318) 21.138 13.804 ( -1.696 0.473 -16.178) 16.273 15.008 ( 9.089 9.186 10.796) 16.839 16.010 ( -21.088 1.241 7.722) 22.492 17.924 ( -1.776 10.671 -14.378) 17.993 18.508 ( -2.988 3.210 -8.542) 9.602 20.434 ( -2.093 -11.315 20.880) 23.841 20.959 ( 5.533 -0.778 12.606) 13.788 23.937 ( -0.962 -1.884 13.942) 14.101 24.200 ( 2.249 4.845 1.842) 5.650 25.172 ( -7.523 -0.963 -7.409) 10.603 25.522 ( 7.448 -9.007 -16.190) 19.968 26.287 ( -9.797 -13.243 9.257) 18.896 26.671 ( -2.446 -4.875 7.777) 9.499 27.802 ( 0.038 7.785 8.761) 11.721 28.870 ( 16.528 -4.850 -3.856) 17.651 33.115 ( -8.863 -1.946 3.991) 9.913 35.018 ( 8.423 23.704 -17.285) 30.522 ======================= Grid point 279 (94/216) ======================= q-point: (-0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.427 ( 3.222 7.596 7.076) 10.870 4.872 ( 0.962 11.167 9.768) 14.868 5.271 ( -6.771 9.675 3.384) 12.284 5.720 ( 1.228 9.017 2.540) 9.448 5.980 ( -0.775 -8.650 4.902) 9.973 6.226 ( 8.100 -2.545 3.433) 9.158 7.334 ( 4.940 9.361 3.919) 11.286 7.711 ( 1.350 9.788 -13.874) 17.032 8.059 ( 5.842 -16.132 10.193) 19.957 8.803 ( 29.049 10.806 3.426) 31.183 8.970 ( -16.515 8.642 -1.298) 18.685 9.744 ( -18.481 17.245 3.202) 25.479 10.249 ( 9.780 -27.061 12.389) 31.328 10.649 ( -10.086 14.273 0.536) 17.485 11.317 ( -28.705 2.614 -4.658) 29.197 12.243 ( 3.807 -7.059 -8.214) 11.481 12.462 ( -5.690 -3.739 -4.960) 8.424 12.930 ( 10.802 7.911 -11.369) 17.565 13.572 ( 11.550 -8.903 -6.042) 15.786 13.836 ( 3.264 -2.744 -20.798) 21.231 15.061 ( 18.556 1.685 12.888) 22.655 15.937 ( -19.385 -16.731 9.667) 27.370 17.715 ( -4.149 9.579 -19.874) 22.449 18.490 ( -1.885 -2.801 -4.557) 5.672 20.590 ( 0.935 -7.889 19.240) 20.815 21.010 ( 5.330 0.837 11.911) 13.076 23.956 ( -1.178 -1.569 11.728) 11.891 24.153 ( 2.021 3.373 4.587) 6.042 25.062 ( -7.807 4.239 -5.940) 10.686 25.704 ( 5.396 -4.692 -18.374) 19.717 26.409 ( -4.363 -9.395 8.914) 13.666 26.773 ( 0.039 -8.778 4.592) 9.906 27.637 ( -3.567 9.273 12.424) 15.908 29.146 ( 18.317 -7.601 -5.926) 20.698 33.035 ( -12.078 -0.592 3.713) 12.650 34.676 ( 2.750 24.031 -14.037) 27.966 ======================= Grid point 280 (95/216) ======================= q-point: (-0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.334 ( 10.130 16.350 12.472) 22.924 4.576 ( -12.706 13.908 12.081) 22.379 4.967 ( -3.997 17.090 10.389) 20.396 5.730 ( 3.489 -6.131 1.060) 7.133 6.064 ( -2.899 -3.269 -0.003) 4.369 6.365 ( 6.020 -5.099 4.254) 8.964 7.214 ( 0.423 6.891 2.215) 7.251 7.471 ( -0.613 14.845 -10.860) 18.404 8.398 ( 12.272 16.045 12.351) 23.677 8.621 ( -4.376 7.122 8.364) 11.825 8.711 ( -14.506 2.842 2.726) 15.031 9.448 ( 22.131 11.679 -13.030) 28.212 10.221 ( -24.454 10.663 -6.489) 27.455 10.501 ( -2.403 14.248 -0.131) 14.450 11.330 ( -5.464 -30.007 19.046) 35.959 12.001 ( -2.130 20.136 -0.423) 20.253 12.753 ( 1.980 -8.800 -22.274) 24.031 12.817 ( -0.150 4.303 -15.304) 15.898 13.764 ( 0.994 -8.843 -9.331) 12.894 13.978 ( 8.565 -5.630 -10.039) 14.347 15.223 ( 12.962 -0.607 12.919) 18.311 16.213 ( -7.755 -31.674 16.185) 36.405 17.566 ( -3.494 3.448 -29.734) 30.137 18.533 ( -1.852 -3.947 4.065) 5.961 20.697 ( 1.441 -3.116 18.486) 18.802 21.045 ( 3.883 -0.177 7.569) 8.509 23.966 ( -0.791 -0.932 8.930) 9.013 24.126 ( 1.070 1.837 8.282) 8.550 24.909 ( -4.537 6.632 -4.891) 9.407 25.774 ( 2.344 0.697 -17.766) 17.934 26.508 ( -1.330 -5.928 6.486) 8.887 26.943 ( 2.720 -9.385 1.696) 9.917 27.449 ( -4.753 8.132 16.143) 18.690 29.447 ( 15.161 -8.554 -9.431) 19.798 32.914 ( -11.518 0.940 3.626) 12.112 34.288 ( -0.793 23.614 -11.241) 26.165 ======================= Grid point 281 (96/216) ======================= q-point: (-0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( 0.000 35.840 25.656) 44.076 4.242 ( 0.000 24.679 19.946) 31.732 4.860 ( -0.000 -8.430 6.916) 10.904 5.909 ( -0.000 -10.988 -0.254) 10.991 6.045 ( 0.000 2.726 -2.929) 4.002 6.460 ( -0.000 -1.159 5.910) 6.022 7.152 ( 0.000 0.501 0.088) 0.508 7.214 ( 0.000 18.102 -3.250) 18.391 7.660 ( 0.000 49.448 24.562) 55.212 8.492 ( 0.000 8.328 -1.024) 8.391 8.867 ( -0.000 -7.499 -8.741) 11.517 9.630 ( -0.000 -12.594 -20.991) 24.479 9.817 ( 0.000 17.183 0.266) 17.185 10.116 ( 0.000 24.587 1.797) 24.653 11.673 ( 0.000 15.178 -6.017) 16.327 11.885 ( -0.000 -31.788 19.905) 37.506 12.578 ( 0.000 13.227 -5.683) 14.396 12.883 ( 0.000 3.178 -38.767) 38.898 14.018 ( -0.000 -21.921 -0.621) 21.929 14.090 ( -0.000 -1.953 -4.561) 4.962 15.304 ( -0.000 -1.815 9.708) 9.876 16.749 ( -0.000 -34.302 21.578) 40.524 17.541 ( -0.000 -2.609 -39.309) 39.395 18.577 ( -0.000 -2.512 12.685) 12.932 20.713 ( 0.000 1.716 18.120) 18.201 21.091 ( -0.000 -2.680 2.420) 3.611 23.976 ( -0.000 -0.747 6.124) 6.169 24.116 ( -0.000 -0.370 12.384) 12.389 24.766 ( 0.000 7.860 -4.840) 9.231 25.733 ( 0.000 5.392 -15.325) 16.246 26.587 ( -0.000 -4.562 3.710) 5.880 27.099 ( -0.000 -6.189 -1.634) 6.401 27.300 ( 0.000 5.773 19.376) 20.217 29.669 ( -0.000 -7.274 -13.102) 14.986 32.823 ( 0.000 1.413 3.376) 3.660 33.902 ( 0.000 21.669 -8.625) 23.322 ======================= Grid point 286 (97/216) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 18.646 0.000 37.867) 42.209 4.353 ( 24.232 0.000 40.422) 47.129 5.597 ( -7.618 -0.000 -3.286) 8.296 5.735 ( -0.115 -0.000 2.621) 2.623 6.276 ( 24.111 0.000 11.934) 26.903 6.493 ( 7.744 0.000 -5.415) 9.449 6.899 ( 12.662 0.000 14.338) 19.129 7.145 ( -7.631 -0.000 8.874) 11.704 7.542 ( 10.802 0.000 -1.015) 10.850 7.645 ( 44.805 0.000 1.012) 44.817 8.776 ( 8.693 0.000 -2.608) 9.076 9.837 ( -13.751 -0.000 -17.909) 22.579 9.900 ( 38.568 0.000 9.130) 39.634 10.754 ( -20.558 -0.000 -17.525) 27.014 11.038 ( 5.421 0.000 -7.273) 9.071 11.795 ( -19.081 -0.000 5.992) 20.000 12.157 ( -2.908 -0.000 -12.709) 13.037 12.706 ( 20.278 0.000 -23.589) 31.107 13.607 ( -2.105 -0.000 2.988) 3.655 14.100 ( -26.277 -0.000 -6.488) 27.066 15.732 ( -27.232 -0.000 -4.271) 27.565 17.718 ( 5.280 0.000 -17.568) 18.344 18.198 ( -7.216 -0.000 32.661) 33.449 18.509 ( 5.000 0.000 9.307) 10.565 20.032 ( -13.939 -0.000 10.405) 17.394 20.746 ( -5.422 -0.000 -2.465) 5.957 24.007 ( -1.273 -0.000 16.101) 16.151 24.437 ( 2.681 0.000 -2.799) 3.875 24.748 ( -1.177 -0.000 -4.290) 4.449 24.928 ( -0.666 -0.000 -8.531) 8.557 25.786 ( -12.759 -0.000 16.088) 20.533 26.703 ( -6.649 -0.000 10.622) 12.532 27.743 ( 12.531 0.000 5.581) 13.718 28.725 ( 10.713 0.000 -7.851) 13.282 33.064 ( 1.527 0.000 5.352) 5.566 35.866 ( 18.558 0.000 -36.685) 41.112 ======================= Grid point 287 (98/216) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( 12.013 -19.674 33.327) 40.523 4.643 ( 19.723 -8.672 29.103) 36.210 5.452 ( -3.375 9.354 2.615) 10.282 5.710 ( -4.989 -0.657 7.742) 9.234 6.403 ( 8.597 6.023 4.395) 11.380 6.567 ( 4.579 -0.562 -5.150) 6.915 6.914 ( 3.473 5.801 13.318) 14.936 7.199 ( 4.346 -10.600 13.895) 18.009 7.704 ( 19.890 -0.806 -0.188) 19.907 8.186 ( 47.913 -8.382 1.349) 48.660 8.919 ( 17.076 -1.236 -3.701) 17.516 9.630 ( -14.036 7.541 -15.276) 22.073 10.216 ( 12.725 -2.668 -3.432) 13.447 10.592 ( -2.402 1.037 -5.293) 5.905 11.121 ( -14.577 -14.285 4.227) 20.842 11.674 ( 3.913 3.838 -5.012) 7.427 12.261 ( 2.341 -12.116 -15.800) 20.047 12.909 ( 15.294 -2.434 -22.867) 27.617 13.469 ( -10.692 10.904 -1.136) 15.313 13.902 ( -19.772 -4.567 -7.519) 21.641 15.410 ( -33.277 1.497 -1.202) 33.332 17.375 ( -0.469 35.882 15.210) 38.975 18.199 ( 2.409 -0.315 -12.118) 12.359 18.694 ( 1.432 -11.267 18.787) 21.954 19.920 ( -13.865 -3.753 12.122) 18.795 20.745 ( -1.485 -4.189 0.610) 4.486 23.959 ( -0.857 3.230 18.091) 18.397 24.517 ( 2.225 1.169 -4.907) 5.513 24.662 ( 1.176 -2.963 -1.889) 3.706 25.068 ( -1.136 -11.268 -12.863) 17.138 25.742 ( -10.892 -7.264 13.073) 18.501 26.642 ( -5.920 0.055 11.442) 12.883 27.869 ( 11.293 -1.130 5.119) 12.450 28.798 ( 10.632 3.649 -8.245) 13.940 33.083 ( 0.478 -0.734 6.493) 6.552 35.909 ( 12.458 11.504 -30.669) 35.044 ======================= Grid point 288 (99/216) ======================= q-point: ( 0.45 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.420 ( 8.593 -21.665 23.965) 33.430 4.945 ( 13.009 -4.976 12.986) 19.043 5.267 ( -6.164 5.216 7.326) 10.902 5.687 ( -3.991 -2.316 10.501) 11.470 6.285 ( 5.012 13.232 5.064) 15.028 6.531 ( 2.280 8.690 -4.382) 9.995 6.955 ( 3.581 -7.605 16.452) 18.475 7.510 ( 15.316 -13.958 11.945) 23.918 7.916 ( 19.393 -2.575 4.068) 19.981 8.680 ( 9.788 -7.505 -2.372) 12.560 9.074 ( 33.682 8.529 -6.390) 35.328 9.421 ( -4.731 3.667 -6.100) 8.546 10.251 ( -9.179 -0.149 -5.621) 10.765 10.572 ( -17.508 -13.612 -7.687) 23.471 11.308 ( 7.445 -6.391 1.974) 10.009 11.739 ( 10.433 -4.027 -2.877) 11.547 12.565 ( 10.374 -15.511 -15.160) 24.043 12.937 ( -16.418 7.139 -10.177) 20.594 13.220 ( 6.197 4.307 -15.033) 16.821 13.832 ( -9.819 -2.360 -8.816) 13.405 15.108 ( -30.169 -3.258 1.409) 30.377 16.724 ( -3.350 37.975 25.639) 45.942 18.204 ( 6.074 4.623 -22.526) 23.784 18.742 ( -3.849 5.004 5.835) 8.597 19.954 ( -9.375 -14.473 20.035) 26.435 20.840 ( 2.140 -6.095 6.217) 8.966 23.914 ( -0.439 1.217 18.216) 18.262 24.415 ( 1.619 8.239 -4.612) 9.579 24.883 ( 1.060 -15.220 -3.275) 15.605 25.231 ( 1.196 -8.783 -14.897) 17.335 25.797 ( -11.576 -12.218 10.711) 19.950 26.595 ( -4.378 -0.567 11.470) 12.290 27.974 ( 8.606 0.936 4.832) 9.914 28.828 ( 9.791 3.320 -6.599) 12.265 33.087 ( -1.684 -0.129 6.952) 7.154 35.757 ( 8.941 18.644 -24.801) 32.290 ======================= Grid point 289 (100/216) ======================= q-point: ( 0.55 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.736 ( 8.357 -0.937 11.232) 14.031 4.959 ( 4.731 4.458 9.328) 11.370 5.257 ( -11.382 -9.531 5.337) 15.776 5.715 ( -1.503 -4.596 10.613) 11.663 6.132 ( 5.810 11.423 3.416) 13.263 6.384 ( 4.372 11.214 -1.319) 12.108 7.184 ( 3.103 -15.040 21.645) 26.539 7.811 ( 26.897 6.502 1.432) 27.708 8.214 ( 13.705 -7.457 -0.897) 15.628 8.599 ( -12.601 -6.010 7.058) 15.643 9.192 ( -15.324 3.325 -2.020) 15.810 9.500 ( 38.080 2.304 1.872) 38.195 10.078 ( -15.976 1.764 -2.179) 16.220 10.835 ( -7.047 -26.667 -14.941) 31.369 11.305 ( -0.232 8.486 -6.636) 10.775 11.831 ( -11.952 2.087 -8.323) 14.713 12.697 ( 1.838 2.449 3.897) 4.956 12.918 ( 15.039 -10.734 -10.937) 21.471 13.313 ( 5.479 -4.592 -18.611) 19.937 13.775 ( -4.710 0.319 -10.536) 11.545 14.979 ( -18.250 -10.134 2.263) 20.997 16.114 ( -5.569 29.555 26.081) 39.809 18.147 ( 7.173 11.275 -16.414) 21.166 18.541 ( -8.238 7.849 -10.416) 15.426 20.170 ( -3.532 -17.149 23.681) 29.450 20.960 ( 3.438 -4.592 10.482) 11.949 23.908 ( -0.352 -0.732 17.140) 17.159 24.310 ( 1.507 6.250 -2.580) 6.927 25.064 ( -3.482 -6.382 -6.127) 9.508 25.421 ( 5.851 -10.616 -16.060) 20.121 25.926 ( -10.322 -16.367 10.194) 21.871 26.585 ( -2.473 -2.456 10.029) 10.617 27.968 ( 4.372 7.735 5.856) 10.642 28.916 ( 9.499 -3.499 -5.164) 11.365 33.051 ( -3.869 1.186 6.929) 8.024 35.480 ( 5.669 22.938 -20.337) 31.175 ======================= Grid point 290 (101/216) ======================= q-point: (-0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.617 ( 3.039 12.847 8.082) 15.479 5.016 ( 2.822 1.481 8.818) 9.376 5.252 ( -7.417 -2.011 1.751) 7.882 5.821 ( -0.378 -8.748 7.749) 11.693 5.956 ( 1.298 14.770 0.682) 14.843 6.303 ( 5.416 3.838 2.959) 7.268 7.456 ( 2.819 -9.904 20.110) 22.593 7.857 ( 18.121 9.643 -1.157) 20.560 8.066 ( -4.295 15.075 -8.723) 17.939 8.884 ( -13.164 1.684 0.132) 13.272 9.097 ( 13.365 -24.373 13.889) 31.074 9.646 ( -6.477 5.650 9.243) 12.622 10.042 ( 10.796 -3.607 -3.326) 11.859 10.869 ( -11.288 12.623 -10.774) 20.070 11.192 ( -8.820 7.822 -8.048) 14.274 11.775 ( -8.987 -25.845 -14.359) 30.902 12.676 ( 4.065 11.477 3.820) 12.760 13.129 ( 10.348 3.119 -16.998) 20.143 13.502 ( 5.961 -11.545 -6.513) 14.535 13.774 ( -0.563 -4.390 -15.305) 15.932 15.123 ( 1.680 -17.422 6.715) 18.747 15.665 ( -10.973 14.811 22.800) 29.320 17.938 ( 1.926 17.607 -14.782) 23.070 18.431 ( -3.627 -1.069 -13.680) 14.193 20.412 ( -0.435 -13.802 21.982) 25.960 21.043 ( 2.557 -1.749 12.139) 12.528 23.924 ( -0.355 -1.402 14.987) 15.056 24.234 ( 1.027 4.550 0.389) 4.680 25.057 ( -3.492 1.539 -5.536) 6.724 25.638 ( 3.729 -8.489 -19.273) 21.387 26.139 ( -4.659 -17.399 10.433) 20.815 26.635 ( -1.031 -5.897 7.111) 9.295 27.819 ( 0.903 12.426 9.279) 15.535 29.115 ( 7.320 -9.740 -5.931) 13.550 32.978 ( -4.287 2.591 6.570) 8.262 35.117 ( 2.335 25.358 -16.873) 30.548 ======================= Grid point 291 (102/216) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.481 ( 0.000 4.826 7.147) 8.624 4.853 ( 0.000 18.491 13.644) 22.980 5.199 ( 0.000 7.724 0.949) 7.782 5.740 ( 0.000 8.127 3.425) 8.819 5.962 ( -0.000 -7.585 2.982) 8.150 6.327 ( -0.000 -2.584 4.035) 4.792 7.402 ( 0.000 13.251 7.729) 15.340 7.719 ( 0.000 15.785 -15.101) 21.845 8.143 ( -0.000 -23.111 13.724) 26.879 8.732 ( 0.000 5.604 -1.297) 5.752 9.163 ( 0.000 33.094 13.717) 35.825 9.661 ( -0.000 -10.414 -5.071) 11.583 10.115 ( 0.000 2.325 -5.079) 5.586 10.802 ( -0.000 -17.359 7.765) 19.017 10.855 ( 0.000 19.794 -2.586) 19.962 12.297 ( -0.000 -33.802 -18.639) 38.600 12.385 ( 0.000 23.226 3.803) 23.535 13.042 ( 0.000 11.317 -14.522) 18.411 13.680 ( -0.000 -5.393 -13.703) 14.726 13.896 ( -0.000 -8.418 -14.741) 16.975 15.364 ( 0.000 8.960 20.014) 21.928 15.613 ( -0.000 -31.984 13.140) 34.578 17.686 ( 0.000 12.322 -22.774) 25.894 18.460 ( -0.000 -3.587 -4.939) 6.104 20.602 ( -0.000 -9.002 19.516) 21.493 21.067 ( 0.000 0.232 10.978) 10.981 23.944 ( -0.000 -1.261 12.099) 12.165 24.175 ( 0.000 3.299 4.136) 5.290 24.982 ( 0.000 4.838 -4.666) 6.722 25.758 ( -0.000 -3.990 -19.368) 19.774 26.365 ( -0.000 -11.273 8.727) 14.256 26.769 ( -0.000 -10.777 3.292) 11.269 27.609 ( 0.000 12.406 13.792) 18.551 29.338 ( -0.000 -11.690 -8.102) 14.223 32.903 ( 0.000 3.145 5.779) 6.579 34.701 ( 0.000 25.838 -13.879) 29.330 ======================= Grid point 298 (103/216) ======================= q-point: ( 0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 4.579 0.000 36.230) 36.518 4.749 ( 16.998 0.000 25.925) 31.001 5.535 ( 0.815 0.000 3.168) 3.271 5.635 ( -7.649 -0.000 14.934) 16.778 6.540 ( 7.230 0.000 2.356) 7.604 6.585 ( 2.629 0.000 -3.198) 4.140 6.980 ( -8.705 -0.000 9.408) 12.818 7.141 ( 12.358 0.000 24.438) 27.385 7.941 ( 28.047 0.000 -1.703) 28.098 8.490 ( 28.387 0.000 -7.895) 29.465 9.192 ( 40.247 0.000 -0.649) 40.253 9.583 ( -10.900 -0.000 -15.416) 18.880 10.075 ( -22.842 -0.000 -17.073) 28.518 10.683 ( -34.612 -0.000 7.381) 35.391 10.907 ( 38.392 0.000 8.668) 39.358 11.833 ( 15.419 0.000 -13.149) 20.264 12.143 ( 0.121 0.000 -16.937) 16.937 13.024 ( 10.066 0.000 -18.811) 21.335 13.547 ( -2.192 -0.000 -4.752) 5.233 13.599 ( -23.135 -0.000 -8.433) 24.624 15.027 ( -44.293 -0.000 0.252) 44.294 17.885 ( 11.719 0.000 -6.512) 13.407 18.092 ( -3.871 -0.000 35.073) 35.286 18.551 ( -1.119 -0.000 -0.134) 1.127 19.777 ( -11.819 -0.000 11.332) 16.374 20.685 ( -1.395 -0.000 -1.756) 2.242 23.988 ( -0.691 -0.000 21.444) 21.455 24.486 ( 2.365 0.000 -0.651) 2.453 24.722 ( -1.446 -0.000 -8.179) 8.306 24.930 ( 0.574 0.000 -13.990) 14.002 25.609 ( -6.326 -0.000 11.478) 13.106 26.590 ( -4.898 -0.000 12.172) 13.120 27.957 ( 9.326 0.000 4.870) 10.521 28.930 ( 9.518 0.000 -10.045) 13.838 33.087 ( 0.850 0.000 8.074) 8.119 36.093 ( 6.796 0.000 -28.948) 29.735 ======================= Grid point 299 (104/216) ======================= q-point: ( 0.45 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( 1.267 -21.692 33.169) 39.652 4.934 ( 10.819 -4.887 14.444) 18.697 5.455 ( 2.118 11.127 5.727) 12.692 5.587 ( -6.433 -2.929 18.928) 20.205 6.501 ( 2.817 8.472 1.664) 9.082 6.627 ( 2.152 0.896 -3.143) 3.913 6.899 ( -2.886 -1.062 13.948) 14.283 7.357 ( 9.276 -12.621 29.312) 33.234 8.202 ( 29.494 2.421 -1.111) 29.614 8.712 ( 11.275 -1.084 -13.708) 17.782 9.391 ( -5.113 9.683 -11.146) 15.625 9.608 ( 38.307 0.714 0.135) 38.314 9.961 ( -20.067 -12.334 -17.369) 29.266 10.291 ( -30.631 3.611 2.304) 30.929 11.362 ( 29.287 -7.377 1.763) 30.253 11.862 ( 9.033 6.496 -8.612) 14.070 12.345 ( 3.081 -17.733 -19.214) 26.327 12.978 ( -6.379 10.380 -9.704) 15.576 13.347 ( 2.620 4.956 -12.055) 13.294 13.662 ( -4.705 -8.207 -8.414) 12.660 14.643 ( -43.519 -6.824 1.773) 44.086 17.407 ( 2.555 41.924 30.003) 51.617 18.294 ( 7.304 -2.839 -21.340) 22.734 18.668 ( -4.229 -11.095 14.074) 18.414 19.692 ( -9.016 -4.310 15.311) 18.284 20.738 ( 0.302 -6.591 1.400) 6.745 23.948 ( -0.284 3.019 21.502) 21.715 24.559 ( 2.095 4.282 -7.474) 8.865 24.661 ( -1.008 -7.585 -0.901) 7.704 25.067 ( 0.707 -11.461 -16.762) 20.318 25.588 ( -5.408 -3.665 10.702) 12.538 26.551 ( -3.349 -0.214 12.468) 12.912 28.045 ( 6.636 -0.973 4.532) 8.095 28.974 ( 6.949 3.799 -9.489) 12.360 33.088 ( 0.047 0.712 8.776) 8.805 36.058 ( 4.175 10.003 -25.746) 27.935 ======================= Grid point 300 (105/216) ======================= q-point: ( 0.55 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 1.406 -26.804 24.642) 36.437 5.079 ( 1.935 -4.870 4.850) 7.140 5.221 ( 0.457 17.830 7.623) 19.397 5.616 ( -2.466 -5.222 16.744) 17.712 6.358 ( 2.100 10.836 0.524) 11.050 6.567 ( 1.211 7.327 -2.455) 7.821 6.992 ( 0.733 -10.196 22.598) 24.802 7.760 ( 8.268 -26.705 30.506) 41.378 8.396 ( 21.936 6.656 -4.323) 23.328 8.657 ( 5.549 13.728 -12.718) 19.519 9.116 ( -22.513 10.466 -1.027) 24.848 9.896 ( 19.832 2.136 -3.412) 20.237 9.962 ( -0.692 -1.719 -5.395) 5.704 10.254 ( -12.619 -26.533 -14.601) 32.809 11.523 ( 10.315 9.173 -10.231) 17.181 11.821 ( -7.816 7.358 -9.601) 14.401 12.602 ( -3.858 -12.600 -20.713) 24.549 12.912 ( 15.689 -6.562 7.711) 18.673 13.329 ( 1.310 3.392 -13.542) 14.021 13.729 ( -0.853 -2.503 -7.466) 7.921 14.497 ( -26.048 -17.670 -1.674) 31.521 16.717 ( 0.771 41.922 33.590) 53.725 18.351 ( 7.893 2.890 -27.395) 28.655 18.625 ( -7.093 9.957 2.111) 12.406 19.828 ( -3.404 -18.290 24.401) 30.684 20.875 ( 1.097 -8.006 6.655) 10.468 23.909 ( -0.086 1.253 20.106) 20.145 24.437 ( 0.665 8.006 -7.132) 10.743 24.878 ( -0.641 -13.531 -2.467) 13.769 25.279 ( 2.473 -12.136 -18.511) 22.273 25.631 ( -5.153 -8.546 12.187) 15.752 26.538 ( -1.504 -1.085 11.723) 11.869 28.091 ( 3.257 2.116 4.313) 5.804 28.967 ( 4.001 2.100 -7.363) 8.639 33.061 ( -0.796 2.065 8.757) 9.033 35.858 ( 2.316 17.610 -22.605) 28.748 ======================= Grid point 301 (106/216) ======================= q-point: (-0.36 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.900 ( -0.000 -17.219 15.367) 23.079 4.905 ( 0.000 18.639 8.023) 20.292 5.153 ( -0.000 -3.897 2.069) 4.412 5.696 ( -0.000 -5.971 11.527) 12.982 6.186 ( 0.000 11.787 -0.963) 11.826 6.437 ( 0.000 8.542 -0.061) 8.542 7.214 ( -0.000 -15.631 27.588) 31.708 8.260 ( 0.000 15.676 -21.012) 26.215 8.303 ( -0.000 -4.089 20.220) 20.629 8.529 ( -0.000 -11.644 16.599) 20.276 8.828 ( 0.000 0.555 -3.518) 3.561 9.827 ( 0.000 8.514 0.761) 8.548 10.098 ( -0.000 -1.194 -4.809) 4.955 10.674 ( -0.000 -25.731 -18.837) 31.889 11.399 ( 0.000 12.808 -7.425) 14.804 11.528 ( 0.000 8.670 -15.139) 17.445 12.762 ( -0.000 -4.668 -9.510) 10.594 13.244 ( 0.000 3.747 -18.576) 18.950 13.265 ( -0.000 -18.034 6.484) 19.164 13.736 ( -0.000 -0.047 -7.121) 7.121 14.723 ( -0.000 -22.826 -2.673) 22.982 16.079 ( 0.000 34.408 31.415) 46.592 18.286 ( 0.000 20.775 -5.781) 21.564 18.393 ( -0.000 -0.286 -24.191) 24.193 20.136 ( -0.000 -18.789 25.054) 31.317 20.996 ( -0.000 -5.422 10.468) 11.789 23.905 ( -0.000 -0.583 17.908) 17.918 24.325 ( 0.000 6.035 -3.712) 7.085 25.025 ( -0.000 -4.476 -5.607) 7.174 25.495 ( -0.000 -11.282 -20.182) 23.121 25.812 ( -0.000 -16.927 13.704) 21.779 26.561 ( -0.000 -2.743 9.883) 10.256 28.013 ( 0.000 9.187 5.681) 10.802 29.013 ( -0.000 -5.363 -5.819) 7.914 33.011 ( 0.000 3.092 8.083) 8.654 35.532 ( 0.000 22.882 -19.730) 30.214 ======================= Grid point 311 (107/216) ======================= q-point: ( 0.45 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( -0.237 -0.000 38.488) 38.488 4.991 ( 7.522 0.000 8.477) 11.333 5.497 ( -5.160 -0.000 27.396) 27.877 5.574 ( 1.779 0.000 5.637) 5.911 6.622 ( 1.421 0.000 -3.521) 3.797 6.625 ( 2.104 0.000 1.752) 2.738 6.843 ( -4.618 -0.000 8.978) 10.096 7.329 ( 5.823 0.000 39.731) 40.155 8.473 ( 21.416 0.000 -3.394) 21.683 8.832 ( 11.962 0.000 -18.433) 21.975 9.461 ( -1.259 -0.000 -0.350) 1.306 9.616 ( -18.090 -0.000 -19.967) 26.943 9.957 ( 26.098 0.000 -1.373) 26.134 10.032 ( -26.765 -0.000 -3.759) 27.028 11.602 ( 29.913 0.000 -0.578) 29.919 12.051 ( -13.579 -0.000 -15.117) 20.320 12.107 ( 9.623 0.000 -14.980) 17.804 13.061 ( -2.749 -0.000 -15.036) 15.285 13.434 ( 11.837 0.000 -4.363) 12.616 13.567 ( 2.384 0.000 -10.384) 10.654 14.143 ( -43.311 -0.000 3.812) 43.478 18.045 ( -1.176 -0.000 35.925) 35.944 18.128 ( 11.459 0.000 14.950) 18.837 18.463 ( -6.917 -0.000 -22.870) 23.893 19.613 ( -4.626 -0.000 14.157) 14.894 20.674 ( -0.107 -0.000 -1.340) 1.344 23.980 ( -0.195 -0.000 23.945) 23.946 24.521 ( 1.078 0.000 1.989) 2.263 24.698 ( -0.771 -0.000 -11.876) 11.902 24.941 ( 0.395 0.000 -16.933) 16.937 25.531 ( -1.988 -0.000 9.491) 9.697 26.524 ( -1.806 -0.000 13.087) 13.211 28.083 ( 3.440 0.000 4.537) 5.694 29.060 ( 3.641 0.000 -10.741) 11.341 33.098 ( 0.247 0.000 9.630) 9.633 36.167 ( 1.620 0.000 -25.245) 25.297 ======================= Grid point 312 (108/216) ======================= q-point: (-0.45 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( -0.000 -22.245 34.796) 41.299 5.045 ( -0.000 -1.864 3.927) 4.347 5.482 ( 0.000 11.725 6.485) 13.399 5.513 ( -0.000 -4.646 26.642) 27.044 6.528 ( 0.000 8.410 -0.607) 8.432 6.649 ( 0.000 1.959 -2.032) 2.822 6.864 ( -0.000 -5.350 14.289) 15.257 7.459 ( -0.000 -12.781 39.979) 41.973 8.576 ( 0.000 1.900 -8.903) 9.104 8.868 ( 0.000 2.923 -16.837) 17.088 9.249 ( 0.000 18.542 4.757) 19.143 9.739 ( -0.000 -19.876 -15.257) 25.057 9.890 ( -0.000 -0.417 -10.978) 10.986 10.093 ( -0.000 -0.409 -0.772) 0.874 11.772 ( 0.000 11.140 -16.606) 19.996 11.844 ( -0.000 -0.689 -1.424) 1.582 12.331 ( -0.000 -15.383 -20.625) 25.730 12.965 ( 0.000 5.135 -4.677) 6.945 13.451 ( 0.000 7.688 -7.479) 10.726 13.675 ( -0.000 -4.856 -6.256) 7.920 14.027 ( -0.000 -17.529 -0.293) 17.531 17.436 ( 0.000 43.131 35.545) 55.890 18.412 ( 0.000 0.746 -36.747) 36.754 18.582 ( -0.000 -15.154 22.601) 27.211 19.602 ( -0.000 -4.656 17.841) 18.439 20.743 ( -0.000 -7.400 1.648) 7.581 23.946 ( 0.000 2.921 22.664) 22.852 24.586 ( 0.000 9.235 -10.854) 14.251 24.644 ( -0.000 -12.593 1.768) 12.716 25.077 ( -0.000 -12.299 -18.332) 22.076 25.535 ( -0.000 -1.885 10.289) 10.460 26.519 ( -0.000 -0.386 12.848) 12.854 28.110 ( -0.000 -0.950 4.333) 4.436 29.043 ( 0.000 3.704 -9.811) 10.487 33.088 ( 0.000 1.296 9.617) 9.704 36.095 ( 0.000 9.522 -24.140) 25.950 ======================= Grid point 375 (109/216) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.000 0.000 46.436) 46.436 3.558 ( 0.000 0.000 48.469) 48.469 5.279 ( 0.000 0.000 12.276) 12.276 5.576 ( 0.000 0.000 -12.420) 12.420 5.933 ( 0.000 0.000 -13.449) 13.449 6.059 ( 0.000 0.000 0.155) 0.155 6.621 ( 0.000 0.000 41.235) 41.235 7.224 ( 0.000 0.000 -3.028) 3.028 7.475 ( 0.000 0.000 5.986) 5.986 8.253 ( 0.000 0.000 -24.538) 24.538 8.432 ( 0.000 0.000 -4.080) 4.080 8.758 ( 0.000 0.000 3.880) 3.880 8.964 ( 0.000 0.000 24.890) 24.890 10.567 ( 0.000 0.000 -31.889) 31.889 10.718 ( 0.000 0.000 -38.141) 38.141 11.070 ( 0.000 0.000 -13.048) 13.048 12.991 ( 0.000 0.000 4.904) 4.904 13.575 ( 0.000 0.000 8.890) 8.890 13.616 ( 0.000 0.000 25.202) 25.202 15.132 ( 0.000 0.000 -7.893) 7.893 15.305 ( 0.000 0.000 -3.531) 3.531 16.790 ( 0.000 0.000 -50.176) 50.176 18.802 ( 0.000 0.000 30.236) 30.236 19.037 ( 0.000 0.000 22.668) 22.668 20.746 ( 0.000 0.000 7.182) 7.182 21.149 ( 0.000 0.000 -5.386) 5.386 24.025 ( 0.000 0.000 -0.525) 0.525 24.212 ( 0.000 0.000 -5.305) 5.305 24.832 ( 0.000 0.000 2.886) 2.886 25.042 ( 0.000 0.000 -1.766) 1.766 26.805 ( 0.000 0.000 -3.539) 3.539 26.912 ( 0.000 0.000 -5.375) 5.375 27.646 ( 0.000 0.000 23.644) 23.644 29.412 ( 0.000 0.000 -14.676) 14.676 32.917 ( 0.000 0.000 -0.947) 0.947 32.956 ( 0.000 0.000 -1.563) 1.563 ======================= Grid point 376 (110/216) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 19.658 -10.978 41.917) 47.582 3.821 ( 8.668 -23.660 44.356) 51.014 5.305 ( 2.415 -0.936 7.871) 8.286 5.624 ( 1.843 -4.427 -11.306) 12.281 5.904 ( 0.750 2.138 -10.768) 11.003 6.162 ( 3.092 -9.623 1.548) 10.225 6.731 ( 6.058 -9.482 39.117) 40.703 7.184 ( -5.515 2.608 -1.211) 6.220 7.382 ( -0.671 6.560 6.949) 9.580 8.114 ( -20.427 0.567 -13.586) 24.539 8.464 ( 12.456 1.512 -6.076) 13.941 8.991 ( 12.610 -11.095 8.985) 19.048 9.162 ( 13.825 -16.662 9.651) 23.704 10.287 ( -2.383 19.142 -26.989) 33.174 10.895 ( -11.844 -14.884 -32.076) 37.292 11.186 ( 14.593 -6.129 -22.252) 27.307 12.769 ( -8.829 14.906 8.720) 19.395 13.487 ( -11.290 4.008 22.477) 25.470 13.746 ( 1.843 -8.813 5.114) 10.354 14.952 ( -14.770 7.167 -6.802) 17.770 15.417 ( 15.390 2.365 -4.043) 16.087 16.778 ( 0.167 1.742 -47.977) 48.009 18.652 ( 0.273 16.469 28.867) 33.235 19.060 ( 0.191 -1.149 21.537) 21.569 20.750 ( -3.733 -2.854 7.256) 8.645 21.117 ( -5.284 0.503 -4.543) 6.986 24.028 ( 0.681 -0.141 0.247) 0.738 24.266 ( 1.203 -5.540 -5.528) 7.918 24.724 ( -0.739 9.123 6.964) 11.501 25.129 ( -1.701 -8.211 -4.879) 9.702 26.761 ( -1.340 2.710 -1.389) 3.327 26.968 ( 0.594 -4.555 -4.868) 6.693 27.647 ( 0.305 -0.219 22.755) 22.758 29.282 ( -26.526 -1.804 -11.368) 28.916 32.959 ( 9.463 0.778 -1.185) 9.568 33.146 ( 26.791 -4.923 -6.644) 28.038 ======================= Grid point 377 (111/216) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 21.720 -14.892 33.184) 42.364 4.337 ( 12.769 -21.968 38.671) 46.271 5.316 ( 5.131 4.360 0.519) 6.753 5.719 ( 0.503 -3.544 -6.648) 7.550 5.940 ( 2.352 -5.202 -12.035) 13.320 6.368 ( 2.508 -8.553 -2.446) 9.243 6.978 ( -2.446 -3.877 18.378) 18.941 7.131 ( 5.371 -13.110 19.028) 23.723 7.355 ( 5.880 -2.089 13.802) 15.147 7.963 ( -15.880 -4.532 -7.630) 18.191 8.598 ( 15.596 -2.609 -2.890) 16.074 9.311 ( 6.644 -15.834 10.995) 20.390 9.605 ( 13.044 -9.740 -2.808) 16.520 10.031 ( 10.168 6.734 -17.805) 21.581 10.990 ( -8.735 -10.680 -23.688) 27.413 11.484 ( 13.221 -11.723 -33.170) 37.583 12.470 ( -10.702 8.185 8.968) 16.186 13.250 ( -9.990 11.495 21.395) 26.262 13.835 ( -6.784 -4.006 -2.526) 8.273 14.653 ( -13.007 13.040 -7.711) 19.967 15.447 ( 6.721 7.329 0.035) 9.945 16.723 ( -2.517 4.165 -41.411) 41.696 18.318 ( 0.414 22.581 25.904) 34.367 19.046 ( 1.098 4.337 15.359) 15.997 20.775 ( -5.616 -5.583 7.872) 11.166 21.051 ( -7.009 -0.387 -1.574) 7.194 24.046 ( 0.761 -1.198 2.179) 2.601 24.401 ( 2.305 -7.523 -5.388) 9.537 24.577 ( 0.209 6.799 10.225) 12.281 25.237 ( -3.142 -7.309 -8.249) 11.461 26.717 ( -1.432 0.683 2.325) 2.814 27.038 ( -0.847 -3.252 -1.905) 3.863 27.673 ( 2.719 -1.673 19.471) 19.731 29.039 ( -31.247 -3.724 -7.641) 32.382 33.064 ( 8.231 -2.818 -0.645) 8.724 33.520 ( 36.664 -1.028 -13.474) 39.075 ======================= Grid point 378 (112/216) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.180 ( 15.439 -10.427 23.569) 30.043 4.743 ( 10.637 -13.713 31.438) 35.910 5.292 ( 8.997 5.415 2.689) 10.840 5.719 ( -1.221 2.506 -5.259) 5.952 6.049 ( -0.051 -4.756 -11.479) 12.425 6.420 ( -3.201 1.182 -1.729) 3.826 6.945 ( -3.598 -3.158 2.819) 5.556 7.355 ( 3.683 -3.337 9.652) 10.856 7.780 ( 12.018 -28.733 24.169) 39.423 7.968 ( -7.579 -10.244 -4.337) 13.461 8.917 ( 23.806 -14.325 5.194) 28.265 9.450 ( 3.675 9.366 3.867) 10.779 9.700 ( -1.296 -13.989 4.050) 14.621 10.411 ( 26.041 -16.241 -11.609) 32.812 11.136 ( -0.454 -13.985 -20.655) 24.948 11.794 ( 10.560 -11.475 -31.774) 35.395 12.305 ( -10.360 0.391 4.178) 11.178 12.952 ( -6.476 13.589 16.031) 21.991 13.743 ( -12.394 3.918 -6.231) 14.414 14.271 ( -12.562 18.055 -9.239) 23.856 15.304 ( -3.376 11.551 6.255) 13.563 16.572 ( -8.212 8.109 -30.104) 32.240 17.987 ( 5.458 18.661 18.404) 26.772 18.918 ( -2.804 10.351 6.380) 12.478 20.824 ( -5.409 -6.688 9.310) 12.675 21.017 ( -4.116 -2.123 2.854) 5.440 24.082 ( 0.808 -2.224 4.534) 5.114 24.416 ( -1.636 4.319 10.068) 11.077 24.641 ( 6.770 -8.283 -5.358) 11.965 25.303 ( -4.448 -4.876 -10.873) 12.720 26.714 ( -0.609 -1.361 5.440) 5.641 27.046 ( -3.535 -0.290 3.144) 4.740 27.762 ( 6.681 -3.458 14.233) 16.098 28.825 ( -26.310 -3.683 -5.756) 27.183 33.196 ( 6.906 -3.945 0.038) 7.954 33.839 ( 30.254 1.600 -15.774) 34.157 ======================= Grid point 379 (113/216) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( 9.330 -4.117 15.508) 18.561 4.957 ( 1.817 -2.586 18.720) 18.985 5.331 ( 9.665 0.167 6.049) 11.403 5.683 ( 4.392 1.058 -1.427) 4.738 6.082 ( -5.025 -1.643 -7.094) 8.848 6.318 ( -5.088 4.283 3.877) 7.698 7.035 ( 2.434 -7.092 -2.933) 8.051 7.410 ( 2.191 -0.389 8.505) 8.792 8.007 ( -6.174 -8.380 -3.399) 10.950 8.262 ( 0.280 -10.984 7.931) 13.551 9.233 ( 12.521 -0.326 6.709) 14.209 9.732 ( 24.019 -27.791 17.393) 40.642 9.886 ( 2.891 -9.385 4.886) 10.968 10.852 ( 13.906 -12.723 -11.209) 21.930 11.455 ( 8.524 -17.481 -19.570) 27.590 12.021 ( -1.083 -5.266 -2.472) 5.917 12.229 ( -0.759 -0.838 -18.232) 18.267 12.742 ( 0.435 6.985 5.166) 8.699 13.477 ( -16.890 10.447 -6.418) 20.871 13.846 ( -11.864 17.811 -10.765) 23.956 15.030 ( -8.510 13.202 10.711) 19.012 16.325 ( -9.854 9.508 -18.291) 22.849 17.844 ( 10.731 8.246 8.506) 15.985 18.669 ( -8.306 12.122 -0.417) 14.701 20.885 ( -3.078 -5.257 11.016) 12.588 21.034 ( -1.220 -2.508 6.149) 6.752 24.133 ( 1.007 -2.845 6.752) 7.396 24.331 ( -1.398 3.921 11.205) 11.953 24.859 ( 8.213 -8.592 -9.016) 14.919 25.306 ( -5.792 -1.378 -12.745) 14.067 26.746 ( 0.766 -2.277 7.731) 8.095 26.991 ( -4.822 1.546 7.067) 8.694 27.898 ( 8.820 -3.404 10.079) 13.819 28.655 ( -19.375 -2.223 -4.168) 19.942 33.313 ( 4.595 -3.216 0.615) 5.642 34.044 ( 18.983 1.983 -15.752) 24.746 ======================= Grid point 380 (114/216) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.533 ( 5.034 -2.426 11.561) 12.841 4.895 ( -3.426 4.247 8.805) 10.359 5.437 ( 4.040 -2.372 7.207) 8.596 5.780 ( 9.008 -3.218 1.306) 9.654 5.989 ( -8.638 3.588 -2.243) 9.619 6.244 ( -1.609 0.638 6.271) 6.505 7.168 ( 2.537 -4.129 -3.054) 5.728 7.420 ( 0.394 0.312 -3.893) 3.925 8.092 ( -0.224 -6.120 4.439) 7.564 8.241 ( -5.604 4.668 10.230) 12.564 9.438 ( 14.558 -4.346 8.758) 17.536 9.832 ( -12.462 -2.232 -2.958) 13.001 10.580 ( 30.115 -24.945 18.404) 43.219 11.032 ( -3.567 1.788 -0.639) 4.041 11.748 ( -0.614 -11.278 -21.337) 24.142 11.912 ( -3.703 6.399 -1.176) 7.487 12.384 ( 8.073 -6.406 -16.999) 19.879 12.667 ( 1.213 6.243 3.949) 7.486 13.183 ( -10.763 3.827 -14.587) 18.528 13.511 ( -6.484 9.648 -9.047) 14.730 14.783 ( -4.591 6.486 12.196) 14.557 16.133 ( -4.169 4.154 -12.758) 14.050 17.878 ( 7.558 0.718 3.289) 8.274 18.421 ( -6.771 6.468 -3.423) 9.970 20.928 ( -0.827 -1.945 11.996) 12.181 21.060 ( -0.190 -1.080 7.603) 7.682 24.193 ( 1.179 -3.071 8.583) 9.192 24.259 ( -1.275 3.307 10.270) 10.864 25.061 ( 7.482 -5.826 -10.839) 14.401 25.237 ( -6.432 2.198 -13.703) 15.296 26.795 ( 1.514 -1.699 9.341) 9.614 26.921 ( -3.181 1.498 8.597) 9.288 28.015 ( 5.167 -1.465 8.020) 9.652 28.538 ( -8.451 -0.599 -2.962) 8.975 33.381 ( 1.603 -1.225 0.941) 2.226 34.142 ( 6.421 0.833 -15.386) 16.693 ======================= Grid point 387 (115/216) ======================= q-point: ( 0.09 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 40.551 0.000 34.894) 53.498 3.705 ( 14.587 0.000 46.371) 48.611 5.329 ( 5.390 0.000 10.082) 11.432 5.604 ( 1.411 0.000 -12.884) 12.961 5.954 ( 3.471 0.000 -12.037) 12.527 6.113 ( 5.256 0.000 0.549) 5.285 6.740 ( 12.334 0.000 39.156) 41.052 7.165 ( -4.218 -0.000 1.040) 4.344 7.379 ( -9.314 -0.000 0.123) 9.314 7.953 ( -15.668 -0.000 -3.717) 16.103 8.579 ( 12.309 0.000 -1.439) 12.393 9.022 ( 8.252 0.000 21.837) 23.344 9.245 ( 33.133 0.000 -7.195) 33.905 10.505 ( -15.029 -0.000 -30.695) 34.177 10.562 ( -0.939 -0.000 -30.984) 30.998 11.292 ( 17.544 0.000 -20.961) 27.334 12.787 ( -18.896 -0.000 7.090) 20.182 13.293 ( -20.557 -0.000 20.279) 28.876 13.735 ( 3.411 0.000 11.029) 11.544 14.827 ( -19.167 -0.000 -6.972) 20.396 15.631 ( 18.227 0.000 -7.680) 19.779 16.806 ( 1.933 0.000 -47.671) 47.710 18.834 ( 2.981 0.000 29.018) 29.171 19.008 ( -3.152 -0.000 23.247) 23.460 20.668 ( -7.766 -0.000 7.015) 10.466 21.048 ( -9.534 -0.000 -4.456) 10.525 24.042 ( 1.800 0.000 -0.558) 1.884 24.229 ( 1.662 0.000 -5.587) 5.829 24.816 ( -1.627 -0.000 2.430) 2.925 25.008 ( -3.372 -0.000 -1.618) 3.740 26.749 ( -6.968 -0.000 2.153) 7.293 26.937 ( 1.961 0.000 -3.093) 3.663 27.649 ( 0.945 0.000 20.642) 20.663 28.956 ( -33.100 -0.000 -3.328) 33.267 32.999 ( 4.211 0.000 0.392) 4.229 33.544 ( 51.507 0.000 -18.912) 54.869 ======================= Grid point 388 (116/216) ======================= q-point: ( 0.18 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( 30.277 -4.646 34.154) 45.878 4.163 ( 27.753 -17.350 34.796) 47.770 5.403 ( 8.112 -0.062 1.979) 8.350 5.636 ( -2.218 -4.348 -7.524) 8.968 5.973 ( 7.771 2.832 -11.388) 14.075 6.261 ( 6.370 -8.773 0.045) 10.842 6.926 ( 7.748 -4.600 20.831) 22.696 7.100 ( 4.259 2.149 13.356) 14.182 7.332 ( -1.564 -4.157 5.286) 6.904 7.817 ( -9.307 0.679 3.771) 10.065 8.697 ( 9.757 -1.359 3.659) 10.509 9.215 ( 18.336 -7.762 13.691) 24.164 9.619 ( 19.167 -8.261 -7.316) 22.117 10.219 ( -0.786 10.794 -23.845) 26.186 10.719 ( -5.391 -13.173 -30.010) 33.214 11.511 ( 19.448 -4.453 -24.915) 31.919 12.488 ( -18.297 9.318 9.247) 22.519 13.129 ( -25.020 -3.688 19.910) 32.187 13.753 ( -1.914 -0.494 4.152) 4.598 14.607 ( -20.734 3.660 -8.482) 22.699 15.703 ( 10.957 8.591 -5.922) 15.130 16.797 ( 2.272 4.228 -43.302) 43.568 18.637 ( -2.821 18.613 26.633) 32.615 19.070 ( 0.893 -3.524 20.622) 20.940 20.616 ( -9.802 -4.240 7.473) 13.035 20.958 ( -9.495 -1.200 -2.370) 9.860 24.053 ( 1.921 0.641 0.363) 2.057 24.308 ( 2.912 -6.374 -6.203) 9.359 24.698 ( -1.786 8.192 5.997) 10.308 25.069 ( -4.320 -8.321 -4.868) 10.564 26.664 ( -10.158 -1.110 7.354) 12.589 26.977 ( -0.327 -2.637 0.209) 2.666 27.677 ( 3.567 -1.184 16.789) 17.205 28.704 ( -23.552 -2.496 -2.235) 23.789 33.067 ( 5.310 -2.471 2.126) 6.231 33.999 ( 48.233 4.625 -25.904) 54.944 ======================= Grid point 389 (117/216) ======================= q-point: ( 0.27 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.290 ( 28.711 -4.909 24.777) 38.240 4.633 ( 15.954 -13.293 31.047) 37.352 5.450 ( 8.557 3.474 -1.608) 9.375 5.707 ( -2.349 -5.666 -1.812) 6.395 6.015 ( 6.566 1.937 -13.253) 14.916 6.406 ( 0.783 -2.028 -1.747) 2.789 6.901 ( -1.414 0.985 3.797) 4.170 7.287 ( 5.845 -8.635 4.297) 11.277 7.573 ( 15.980 -13.015 21.051) 29.460 7.814 ( 4.337 -7.208 12.623) 15.169 8.871 ( 9.863 -10.412 8.357) 16.599 9.553 ( 15.623 -8.444 6.409) 18.880 9.644 ( -0.417 8.048 -5.554) 9.788 10.341 ( 13.205 -12.514 -13.249) 22.506 10.936 ( 5.684 -14.709 -27.636) 31.818 11.783 ( 17.487 -5.757 -24.064) 30.298 12.224 ( -12.750 3.116 4.836) 13.988 12.915 ( -24.058 0.175 16.438) 29.138 13.688 ( -9.031 2.727 -0.922) 9.479 14.302 ( -22.540 8.181 -11.300) 26.508 15.573 ( 4.599 15.167 0.569) 15.859 16.689 ( -0.275 10.476 -33.875) 35.459 18.275 ( -5.727 17.809 20.836) 28.002 19.043 ( -2.017 7.329 10.895) 13.285 20.632 ( -8.510 -8.461 9.811) 15.500 20.934 ( -3.862 -3.746 2.010) 5.743 24.068 ( 1.609 -0.573 2.522) 3.046 24.439 ( 0.975 -2.513 -1.019) 2.881 24.603 ( 2.833 -0.619 2.603) 3.897 25.155 ( -5.132 -7.232 -8.074) 11.993 26.616 ( -10.093 -4.896 9.667) 14.808 26.993 ( -3.820 -1.405 4.519) 6.082 27.765 ( 6.710 -3.430 12.012) 14.180 28.570 ( -13.452 -2.137 -3.560) 14.078 33.169 ( 4.347 -3.857 3.385) 6.726 34.291 ( 37.595 9.687 -25.681) 46.548 ======================= Grid point 390 (118/216) ======================= q-point: ( 0.36 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.548 ( 20.606 2.729 16.304) 26.418 4.907 ( 5.649 -7.026 22.805) 24.522 5.487 ( 10.907 3.595 1.545) 11.587 5.755 ( 2.516 -0.920 -0.694) 2.767 6.008 ( -0.037 1.432 -7.316) 7.455 6.349 ( -4.555 4.975 0.780) 6.790 6.973 ( 6.996 -5.677 0.062) 9.009 7.431 ( 5.225 -2.051 9.713) 11.218 7.813 ( 0.296 -10.929 -2.147) 11.142 8.171 ( 19.172 -10.027 12.605) 25.040 9.219 ( 7.542 -16.402 12.688) 22.065 9.493 ( -5.119 -5.075 4.031) 8.259 9.906 ( 24.473 -7.131 8.593) 26.900 10.679 ( 5.652 -16.805 -12.562) 21.730 11.299 ( 12.160 -15.732 -24.168) 31.296 11.914 ( -7.498 -1.357 3.738) 8.487 12.220 ( 10.008 -4.558 -21.782) 24.400 12.726 ( -13.198 -1.907 7.897) 15.497 13.468 ( -18.033 8.742 -0.819) 20.057 13.924 ( -20.017 11.487 -15.270) 27.673 15.321 ( 3.769 19.320 7.613) 21.105 16.454 ( -3.579 14.405 -20.404) 25.232 18.002 ( -4.583 8.368 9.952) 13.786 18.800 ( -8.804 14.167 1.598) 16.757 20.723 ( -4.748 -9.498 12.389) 16.316 20.994 ( 1.965 -3.917 5.874) 7.329 24.104 ( 1.581 -1.897 4.919) 5.504 24.387 ( -1.469 4.263 9.457) 10.477 24.779 ( 7.274 -9.981 -9.011) 15.289 25.201 ( -5.935 -4.464 -10.099) 12.535 26.630 ( -8.774 -7.485 10.132) 15.351 26.955 ( -5.322 0.182 7.547) 9.237 27.900 ( 6.358 -4.389 8.712) 11.644 28.507 ( -4.593 -0.788 -3.726) 5.967 33.264 ( 1.412 -4.003 3.979) 5.818 34.410 ( 26.278 12.524 -22.616) 36.863 ======================= Grid point 391 (119/216) ======================= q-point: ( 0.45 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.623 ( 10.125 5.050 12.574) 16.915 4.964 ( 1.469 2.905 11.061) 11.530 5.516 ( 8.650 4.179 4.529) 10.621 5.815 ( 2.460 -2.123 -0.040) 3.250 5.997 ( 3.458 2.269 -1.862) 4.536 6.222 ( -5.346 2.220 6.587) 8.769 7.158 ( 10.205 -4.550 -3.944) 11.849 7.469 ( 4.813 2.621 3.972) 6.768 7.996 ( 3.797 -8.804 4.342) 10.525 8.318 ( 7.282 5.119 4.304) 9.887 9.437 ( 0.419 -4.641 6.937) 8.357 9.672 ( 3.218 -13.820 5.226) 15.121 10.368 ( 15.099 -22.445 17.478) 32.206 10.958 ( 0.399 -9.438 -9.199) 13.185 11.546 ( -5.728 -7.335 -12.112) 15.275 11.858 ( -5.550 -6.092 -6.074) 10.237 12.379 ( 6.492 -2.645 -16.829) 18.231 12.768 ( 6.042 -1.201 -4.417) 7.580 13.104 ( -19.786 5.932 -0.306) 20.658 13.586 ( -11.384 10.280 -16.677) 22.659 15.052 ( 9.238 18.768 12.427) 24.331 16.211 ( -2.476 9.453 -10.491) 14.337 17.886 ( -6.892 1.243 1.924) 7.263 18.484 ( -9.141 10.619 -3.912) 14.548 20.830 ( -2.393 -7.072 13.037) 15.023 21.077 ( 5.135 -1.474 8.034) 9.648 24.157 ( 1.535 -2.577 7.195) 7.796 24.308 ( -1.034 3.720 10.265) 10.968 25.009 ( 6.615 -8.644 -11.894) 16.123 25.186 ( -6.111 -1.039 -11.570) 13.126 26.683 ( -7.574 -7.924 10.300) 15.042 26.904 ( -3.869 0.046 8.306) 9.163 27.992 ( -0.145 -2.114 8.085) 8.358 28.528 ( 7.069 -0.948 -3.635) 8.005 33.319 ( -2.822 -3.232 3.920) 5.812 34.393 ( 15.640 13.621 -19.402) 28.400 ======================= Grid point 392 (120/216) ======================= q-point: (-0.45 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.580 ( 0.273 5.871 11.052) 12.518 4.942 ( 7.389 2.791 8.159) 11.356 5.489 ( 0.027 5.288 6.771) 8.592 5.781 ( -4.908 4.537 0.275) 6.689 6.034 ( 8.517 -0.494 0.308) 8.537 6.216 ( 0.165 -3.312 7.629) 8.318 7.252 ( 6.274 4.124 -0.462) 7.522 7.454 ( 2.914 3.178 -7.080) 8.290 8.177 ( 7.124 -5.615 12.247) 15.240 8.296 ( 13.624 5.615 3.995) 15.268 9.337 ( -17.989 3.290 3.529) 18.625 9.975 ( 19.052 -4.983 0.690) 19.705 10.546 ( -28.848 5.046 15.281) 33.033 10.978 ( -5.153 -2.885 1.474) 6.087 11.645 ( -8.141 -15.218 -6.226) 18.348 11.917 ( -0.602 -0.788 -18.344) 18.371 12.375 ( -8.333 4.034 -16.921) 19.288 12.672 ( 2.361 5.225 5.156) 7.711 13.175 ( 11.279 -8.735 -12.671) 19.080 13.419 ( -3.302 -1.293 -13.566) 14.022 14.946 ( 19.177 9.283 14.438) 25.737 16.140 ( 3.932 -0.634 -6.100) 7.285 17.744 ( -17.897 1.935 0.009) 18.002 18.376 ( -0.060 -3.540 -6.242) 7.176 20.904 ( -0.646 -3.697 12.319) 12.878 21.127 ( 5.702 1.905 8.499) 10.410 24.208 ( 0.096 -1.289 10.134) 10.216 24.251 ( 0.621 1.785 8.655) 8.859 25.061 ( -7.078 2.774 -9.089) 11.849 25.233 ( 5.727 -5.430 -15.766) 17.631 26.724 ( -6.715 -4.806 10.145) 13.081 26.903 ( -0.617 -2.933 6.972) 7.588 27.966 ( -5.629 1.234 9.946) 11.495 28.669 ( 16.686 -1.590 -4.788) 17.432 33.313 ( -7.557 -1.946 3.335) 8.486 34.267 ( 5.788 13.828 -16.691) 22.434 ======================= Grid point 393 (121/216) ======================= q-point: (-0.36 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.476 ( 1.018 6.681 12.753) 14.433 4.975 ( 2.001 1.826 13.478) 13.748 5.333 ( -7.180 8.353 9.634) 14.634 5.677 ( 0.345 2.796 1.095) 3.022 6.107 ( 0.239 -1.379 -3.921) 4.163 6.310 ( 7.007 -3.739 5.579) 9.706 7.166 ( 2.807 9.159 -1.901) 9.766 7.420 ( -0.228 2.796 3.456) 4.452 8.247 ( 15.587 8.087 -2.984) 17.812 8.433 ( 13.536 0.927 6.915) 15.228 9.089 ( -18.196 1.499 5.197) 18.983 9.842 ( -38.109 25.342 15.017) 48.166 10.153 ( 13.826 10.752 2.158) 17.647 10.803 ( -26.156 6.102 -10.456) 28.822 11.709 ( -0.997 10.572 -6.716) 12.564 11.970 ( -1.431 -10.703 2.545) 11.094 12.227 ( -5.961 0.621 -27.562) 28.206 12.644 ( -0.024 1.887 3.004) 3.547 13.449 ( 13.648 -10.917 -15.144) 23.126 13.592 ( 1.964 -17.087 -8.673) 19.263 15.095 ( 24.030 0.047 13.847) 27.735 16.303 ( 12.865 -8.262 -7.448) 17.007 17.553 ( -22.836 -4.836 3.067) 23.544 18.531 ( 2.310 -11.505 -4.411) 12.536 20.942 ( 1.579 -0.506 10.654) 10.782 21.125 ( 4.901 4.254 7.409) 9.849 24.172 ( -0.914 2.801 9.061) 9.528 24.290 ( 1.692 -2.815 10.211) 10.726 24.907 ( -7.608 6.470 -7.925) 12.749 25.352 ( 4.958 -2.177 -15.575) 16.490 26.719 ( -4.529 -1.682 8.413) 9.702 26.974 ( 1.011 -4.624 4.646) 6.632 27.868 ( -6.235 3.099 13.352) 15.058 28.878 ( 21.489 -1.103 -7.323) 22.729 33.239 ( -12.039 -0.588 2.477) 12.305 34.052 ( -2.763 13.755 -14.299) 20.032 ======================= Grid point 394 (122/216) ======================= q-point: (-0.27 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 3.358 14.433 21.063) 25.753 4.839 ( -10.525 8.728 22.725) 26.521 5.159 ( -7.210 2.022 11.280) 13.539 5.723 ( 7.162 -2.520 -4.329) 8.740 6.074 ( -5.313 1.841 -6.600) 8.671 6.438 ( 6.447 -2.480 -0.298) 6.914 7.068 ( 5.607 6.377 1.260) 8.585 7.353 ( -4.487 2.599 10.258) 11.494 8.191 ( 6.700 22.291 10.743) 25.636 8.305 ( 8.559 18.415 -6.593) 21.350 8.916 ( -23.892 14.260 4.429) 28.174 9.260 ( -6.003 -6.412 7.656) 11.651 9.997 ( 0.466 17.057 3.519) 17.423 10.371 ( -28.154 13.005 -9.732) 32.503 11.443 ( 5.895 19.344 -11.802) 23.414 11.904 ( -7.547 9.569 -33.982) 36.101 12.385 ( 8.940 -5.940 6.053) 12.323 12.662 ( -6.929 -13.977 9.816) 18.431 13.756 ( 11.313 -8.963 -13.436) 19.720 13.952 ( 0.533 -24.823 -7.829) 26.034 15.314 ( 16.547 -0.945 10.046) 19.380 16.582 ( 16.055 -5.342 -20.579) 26.641 17.542 ( -18.790 -20.203 15.354) 31.575 18.748 ( 0.352 -12.275 1.417) 12.361 20.949 ( 3.260 2.893 9.084) 10.076 21.098 ( 4.169 3.396 4.159) 6.798 24.118 ( -0.534 2.785 6.903) 7.463 24.359 ( 1.380 -3.945 12.025) 12.731 24.718 ( -5.862 8.172 -6.381) 11.910 25.395 ( 3.310 1.698 -13.928) 14.416 26.704 ( -2.464 -0.702 5.846) 6.383 27.052 ( 1.199 -2.905 0.882) 3.264 27.759 ( -4.486 3.442 17.572) 18.460 29.108 ( 23.329 -0.518 -10.856) 25.736 33.107 ( -15.343 0.363 1.800) 15.453 33.768 ( -8.260 13.831 -11.718) 19.921 ======================= Grid point 395 (123/216) ======================= q-point: (-0.18 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( -3.439 25.325 32.781) 41.566 4.562 ( -6.378 14.862 33.420) 37.127 5.154 ( -4.374 -7.569 4.844) 9.995 5.804 ( 6.315 3.630 -7.396) 10.381 5.975 ( -6.260 1.751 -9.980) 11.910 6.473 ( 1.731 3.865 -5.497) 6.940 7.078 ( 9.326 1.753 8.071) 12.458 7.255 ( -7.573 2.121 10.449) 13.078 7.559 ( -7.300 37.407 35.112) 51.821 8.240 ( 15.294 8.985 -10.977) 20.860 8.529 ( -13.892 7.415 -9.527) 18.405 9.473 ( 5.159 0.029 -1.662) 5.420 9.698 ( -5.062 5.550 0.318) 7.519 9.882 ( -19.099 15.881 -2.539) 24.969 11.242 ( 6.273 12.133 -12.915) 18.798 11.628 ( -6.061 15.272 -43.196) 46.216 12.460 ( 4.689 -1.092 6.222) 7.867 12.988 ( -0.521 -23.596 21.957) 32.236 13.927 ( 5.562 -1.754 -10.810) 12.283 14.385 ( 1.343 -25.225 -6.310) 26.037 15.411 ( 4.842 1.686 4.585) 6.878 16.724 ( 5.660 -0.239 -36.361) 36.799 17.861 ( -5.276 -29.393 26.603) 39.994 18.924 ( -0.863 -9.060 9.667) 13.277 20.904 ( 2.319 5.382 8.339) 10.193 21.107 ( 3.533 0.412 -0.458) 3.587 24.072 ( -0.271 2.335 4.495) 5.072 24.449 ( 1.591 -4.892 11.605) 12.694 24.536 ( -3.637 7.716 -4.178) 9.498 25.363 ( 1.674 4.988 -11.315) 12.478 26.701 ( -0.880 -0.991 2.842) 3.136 27.080 ( 0.396 0.662 -3.354) 3.441 27.681 ( -1.800 2.204 21.625) 21.811 29.325 ( 18.897 -0.428 -14.986) 24.121 32.949 ( -14.438 0.694 1.951) 14.586 33.458 ( -7.580 13.687 -8.486) 17.799 ======================= Grid point 396 (124/216) ======================= q-point: (-0.09 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 0.000 23.205 40.295) 46.499 4.206 ( 0.000 24.371 40.222) 47.029 5.263 ( -0.000 -5.704 2.149) 6.095 5.716 ( 0.000 7.497 -10.285) 12.727 5.912 ( 0.000 3.089 -8.701) 9.233 6.339 ( 0.000 11.933 -1.544) 12.032 6.944 ( 0.000 20.242 41.506) 46.179 7.189 ( -0.000 -1.546 -0.810) 1.746 7.255 ( -0.000 -3.681 13.197) 13.701 8.295 ( -0.000 -0.884 -0.866) 1.238 8.327 ( 0.000 5.024 -23.950) 24.471 9.201 ( 0.000 19.448 3.137) 19.700 9.425 ( 0.000 21.677 11.492) 24.535 9.967 ( -0.000 -20.174 -19.241) 27.878 11.142 ( 0.000 5.256 -12.100) 13.192 11.304 ( 0.000 18.876 -44.883) 48.691 12.581 ( -0.000 -10.599 9.092) 13.965 13.333 ( -0.000 -17.028 24.316) 29.685 13.912 ( 0.000 6.943 -4.652) 8.357 14.778 ( -0.000 -20.192 -6.394) 21.180 15.375 ( 0.000 3.588 0.035) 3.589 16.754 ( -0.000 -1.185 -44.208) 44.223 18.305 ( -0.000 -25.123 28.580) 38.052 19.030 ( -0.000 -4.320 16.986) 17.527 20.830 ( 0.000 4.688 7.620) 8.947 21.131 ( -0.000 -0.722 -3.409) 3.484 24.039 ( 0.000 1.433 2.130) 2.567 24.375 ( 0.000 8.106 -5.574) 9.837 24.578 ( -0.000 -8.343 11.676) 14.350 25.268 ( 0.000 7.302 -8.316) 11.067 26.722 ( -0.000 -2.098 -0.133) 2.102 27.041 ( 0.000 3.882 -5.447) 6.689 27.651 ( 0.000 0.683 23.364) 23.374 29.433 ( 0.000 0.228 -17.145) 17.147 32.857 ( -0.000 -0.040 2.066) 2.066 33.205 ( 0.000 11.462 -5.350) 12.649 ======================= Grid point 399 (125/216) ======================= q-point: ( 0.18 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( 20.339 0.000 41.456) 46.176 4.410 ( 39.216 0.000 22.217) 45.073 5.499 ( 12.828 0.000 2.414) 13.053 5.579 ( -3.405 -0.000 -9.975) 10.541 6.111 ( 12.306 0.000 -10.263) 16.024 6.238 ( 7.215 0.000 0.811) 7.261 6.954 ( 3.536 0.000 4.458) 5.690 7.212 ( -5.433 -0.000 -4.583) 7.108 7.297 ( 26.773 0.000 35.191) 44.217 7.750 ( -6.903 -0.000 10.270) 12.374 8.743 ( 3.973 0.000 8.450) 9.338 9.407 ( 31.610 0.000 12.193) 33.880 9.661 ( 1.488 0.000 -12.549) 12.637 10.386 ( 10.258 0.000 -24.660) 26.708 10.504 ( -5.797 -0.000 -26.936) 27.552 11.684 ( 23.047 0.000 -22.907) 32.495 12.382 ( -20.805 -0.000 7.422) 22.089 12.806 ( -29.697 -0.000 21.779) 36.827 13.732 ( -3.684 -0.000 2.131) 4.256 14.420 ( -23.893 -0.000 -9.537) 25.726 15.841 ( 1.584 0.000 -7.830) 7.989 16.879 ( 5.988 0.000 -42.288) 42.710 18.899 ( 3.273 0.000 26.033) 26.238 18.920 ( -5.626 -0.000 24.679) 25.312 20.470 ( -12.191 -0.000 7.271) 14.195 20.846 ( -9.930 -0.000 -2.750) 10.304 24.093 ( 3.450 0.000 -0.264) 3.460 24.271 ( 2.544 0.000 -6.295) 6.789 24.773 ( -2.788 -0.000 1.375) 3.108 24.923 ( -5.281 -0.000 -1.570) 5.509 26.510 ( -16.938 -0.000 15.259) 22.797 26.952 ( -1.181 -0.000 2.724) 2.969 27.713 ( 6.217 0.000 13.165) 14.559 28.535 ( -8.613 -0.000 -3.832) 9.427 33.103 ( 6.240 0.000 5.087) 8.051 34.487 ( 42.435 0.000 -33.257) 53.914 ======================= Grid point 400 (126/216) ======================= q-point: ( 0.27 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.372 ( 19.364 -13.002 35.678) 42.626 4.731 ( 25.118 -0.419 19.749) 31.955 5.533 ( -2.717 1.266 -3.749) 4.800 5.649 ( 12.537 -1.484 -0.181) 12.626 6.183 ( 12.746 4.389 -9.882) 16.715 6.373 ( 4.942 -4.456 -1.450) 6.810 6.951 ( 3.325 3.638 1.288) 5.094 7.228 ( 4.600 -5.184 -3.106) 7.595 7.618 ( 15.941 -0.951 19.276) 25.031 7.788 ( 19.729 -9.057 26.225) 34.045 8.801 ( 2.676 -4.232 9.418) 10.666 9.563 ( -9.234 2.068 -12.704) 15.841 9.792 ( 28.101 -4.105 6.496) 29.133 10.337 ( 4.129 2.468 -16.606) 17.288 10.752 ( 11.431 -16.053 -23.906) 30.982 11.910 ( 16.651 -0.442 -17.124) 23.889 12.160 ( -11.063 2.806 2.122) 11.609 12.582 ( -28.861 -6.222 17.620) 34.383 13.656 ( -8.416 2.995 -1.718) 9.096 14.156 ( -25.968 2.744 -11.950) 28.717 15.752 ( -7.241 6.160 -3.953) 10.296 16.885 ( 7.383 7.688 -36.835) 38.347 18.534 ( -7.344 22.607 24.813) 34.361 19.086 ( 0.184 -3.018 17.397) 17.658 20.401 ( -11.801 -6.469 9.595) 16.528 20.813 ( -4.924 -5.393 -0.038) 7.303 24.102 ( 3.175 1.974 0.964) 3.861 24.369 ( 3.329 -6.899 -6.558) 10.084 24.660 ( -2.121 5.847 3.791) 7.284 24.972 ( -5.507 -8.361 -5.082) 11.227 26.387 ( -16.755 -5.162 17.506) 24.776 26.937 ( -3.795 -0.781 5.629) 6.834 27.797 ( 8.709 -1.469 9.611) 13.053 28.502 ( 0.511 0.265 -6.256) 6.282 33.174 ( 5.597 -1.327 7.258) 9.261 34.784 ( 32.474 7.451 -33.133) 46.988 ======================= Grid point 401 (127/216) ======================= q-point: ( 0.36 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.754 ( 15.584 -9.132 26.845) 32.356 4.909 ( 15.060 1.829 14.262) 20.822 5.510 ( -4.583 -4.012 2.417) 6.554 5.759 ( 8.830 0.641 2.006) 9.077 6.189 ( 10.593 9.095 -7.103) 15.665 6.396 ( -0.788 3.813 -2.151) 4.448 6.994 ( 11.668 -2.068 3.438) 12.339 7.418 ( 8.716 -7.698 4.207) 12.366 7.718 ( 6.563 -3.842 4.479) 8.826 8.285 ( 35.780 -8.539 16.833) 40.453 8.966 ( 1.431 -14.272 12.456) 18.997 9.409 ( -11.004 1.114 -3.906) 11.730 10.043 ( 13.075 -1.865 -2.617) 13.464 10.495 ( 10.501 -11.168 -6.354) 16.594 11.148 ( 12.670 -16.176 -20.635) 29.121 11.821 ( -16.473 3.532 7.193) 18.319 12.263 ( 9.486 -5.038 -20.460) 23.108 12.503 ( -5.932 -8.674 8.299) 13.390 13.433 ( -18.905 9.025 -2.234) 21.068 13.864 ( -20.303 4.501 -16.235) 26.382 15.547 ( -9.254 7.807 2.356) 12.334 16.747 ( 7.296 17.886 -22.225) 29.446 18.109 ( -10.425 15.914 14.353) 23.832 18.961 ( -6.465 13.361 4.666) 15.559 20.480 ( -6.814 -13.064 14.711) 20.821 20.916 ( 1.604 -7.948 4.351) 9.201 24.110 ( 2.773 0.313 3.267) 4.297 24.434 ( -1.202 2.534 4.103) 4.970 24.679 ( 4.534 -8.395 -6.312) 11.441 25.050 ( -5.634 -7.033 -8.087) 12.108 26.360 ( -14.835 -9.587 15.865) 23.742 26.901 ( -5.353 -0.278 7.596) 9.297 27.916 ( 8.682 -2.119 7.279) 11.526 28.521 ( 5.445 0.849 -6.416) 8.458 33.241 ( 3.068 -1.337 8.398) 9.041 34.875 ( 23.215 13.266 -29.227) 39.612 ======================= Grid point 402 (128/216) ======================= q-point: ( 0.45 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.866 ( 10.135 9.487 14.313) 19.940 5.005 ( 7.200 -0.917 12.885) 14.788 5.568 ( -5.197 -5.963 4.041) 8.882 5.811 ( 5.965 0.938 2.403) 6.499 6.134 ( 8.263 6.538 0.868) 10.573 6.276 ( -0.495 8.213 0.817) 8.268 7.213 ( 17.621 -5.069 0.163) 18.337 7.585 ( 11.144 0.446 12.469) 16.729 7.887 ( 7.091 -8.143 -1.707) 10.932 8.557 ( 20.006 7.221 -1.479) 21.321 9.306 ( -1.568 -12.517 -4.700) 13.462 9.408 ( 3.469 -16.580 30.078) 34.520 10.212 ( 3.553 -9.791 -3.616) 11.025 10.738 ( -4.651 -12.335 -7.026) 14.939 11.404 ( -6.894 -3.333 -5.736) 9.567 11.693 ( -2.924 -6.896 -7.020) 10.266 12.364 ( -0.219 -4.280 -17.767) 18.277 12.755 ( 13.808 -9.869 -3.772) 17.386 13.050 ( -17.727 9.956 0.536) 20.339 13.626 ( -10.856 6.751 -18.099) 22.159 15.353 ( -3.243 7.377 9.100) 12.155 16.457 ( 4.564 21.942 -2.680) 22.571 17.851 ( -8.821 4.965 -1.391) 10.217 18.603 ( -11.931 16.447 -4.513) 20.814 20.651 ( -2.618 -11.955 16.416) 20.476 21.071 ( 5.219 -5.955 7.560) 10.948 24.144 ( 2.552 -1.206 5.731) 6.388 24.358 ( -1.703 3.727 8.621) 9.545 24.904 ( 5.180 -10.795 -11.625) 16.688 25.090 ( -5.041 -4.115 -10.262) 12.152 26.410 ( -12.568 -12.086 13.605) 22.116 26.854 ( -5.004 -0.409 8.113) 9.541 28.002 ( 5.123 0.522 7.046) 8.727 28.595 ( 10.095 -1.459 -5.716) 11.692 33.268 ( -0.755 -0.453 8.624) 8.668 34.807 ( 15.242 16.875 -24.793) 33.642 ======================= Grid point 403 (129/216) ======================= q-point: ( 0.55 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.742 ( 3.524 11.456 11.388) 16.533 5.061 ( 7.337 1.875 8.081) 11.075 5.542 ( -6.802 1.998 6.165) 9.396 5.845 ( 5.164 2.828 0.344) 5.897 6.086 ( -3.953 2.737 2.451) 5.397 6.226 ( 10.138 1.665 7.197) 12.544 7.419 ( 16.152 2.082 -2.560) 16.486 7.602 ( 9.093 8.688 1.122) 12.627 8.098 ( 6.445 -10.041 15.347) 19.439 8.615 ( 24.116 8.158 -2.268) 25.559 9.226 ( -15.470 3.580 -2.374) 16.055 9.934 ( 14.527 -22.890 16.431) 31.701 10.274 ( -20.338 -3.755 11.086) 23.465 10.859 ( -8.023 -6.419 -10.876) 14.962 11.295 ( -17.631 -7.938 -4.342) 19.818 11.777 ( -11.489 -4.845 -13.715) 18.536 12.362 ( -5.645 -0.492 -28.366) 28.927 12.814 ( 9.180 5.028 6.842) 12.504 13.140 ( 13.214 -10.198 -6.387) 17.872 13.436 ( -3.139 6.675 -17.293) 18.800 15.282 ( 12.031 5.183 15.993) 20.673 16.196 ( -0.382 9.696 8.155) 12.675 17.687 ( -9.181 7.965 -7.913) 14.503 18.306 ( -10.884 2.554 -11.164) 15.799 20.805 ( -0.199 -8.096 15.373) 17.375 21.191 ( 5.773 -1.681 8.875) 10.720 24.191 ( 1.872 -1.541 8.718) 9.049 24.290 ( -0.888 2.724 8.598) 9.063 25.020 ( -5.021 -0.722 -7.509) 9.062 25.169 ( 4.116 -7.973 -17.137) 19.344 26.507 ( -9.255 -11.850 11.501) 18.930 26.831 ( -3.635 -2.205 7.053) 8.236 27.990 ( 1.247 4.148 9.605) 10.537 28.764 ( 13.547 -4.725 -6.524) 15.761 33.238 ( -4.917 0.876 8.200) 9.601 34.621 ( 8.302 18.992 -20.882) 29.423 ======================= Grid point 404 (130/216) ======================= q-point: (-0.36 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.607 ( 2.830 7.339 10.493) 13.114 5.084 ( 6.401 4.843 10.388) 13.128 5.392 ( -8.598 6.485 7.814) 13.305 5.786 ( 3.821 7.605 3.143) 9.073 6.056 ( -3.559 -2.479 1.061) 4.465 6.330 ( 8.179 -2.489 5.883) 10.378 7.406 ( 8.130 12.155 -0.923) 14.653 7.521 ( 5.382 8.799 1.582) 10.435 8.364 ( 11.082 -10.865 18.476) 24.129 8.734 ( 28.645 10.416 -7.486) 31.386 8.965 ( -17.497 5.763 -0.005) 18.422 9.860 ( -28.654 15.302 7.851) 33.419 10.363 ( -1.603 -1.807 0.060) 2.416 10.662 ( -11.435 6.799 -2.703) 13.575 11.398 ( -15.975 -21.590 13.754) 30.174 11.843 ( -5.103 -15.560 -26.400) 31.066 12.276 ( -0.581 10.572 -22.651) 25.004 12.785 ( 6.178 8.683 3.782) 11.307 13.324 ( -3.100 -7.548 -21.722) 23.204 13.484 ( 13.485 -5.953 -7.709) 16.635 15.403 ( 26.085 4.912 19.395) 32.875 16.196 ( -1.776 -12.656 13.037) 18.256 17.394 ( -14.486 11.390 -10.440) 21.180 18.326 ( -4.877 -11.543 -11.586) 17.067 20.914 ( 1.278 -4.551 12.929) 13.766 21.232 ( 4.509 2.498 8.498) 9.939 24.203 ( -0.376 1.591 11.782) 11.895 24.273 ( 1.265 -0.949 7.176) 7.348 24.931 ( -5.485 4.149 -6.706) 9.606 25.328 ( 3.625 -5.751 -17.869) 19.119 26.603 ( -5.091 -7.507 9.527) 13.154 26.868 ( -2.329 -5.876 4.293) 7.641 27.908 ( -0.639 5.638 13.929) 15.041 28.990 ( 14.124 -6.102 -9.204) 17.928 33.148 ( -8.066 2.309 7.469) 11.233 34.348 ( 2.692 20.048 -17.435) 26.705 ======================= Grid point 405 (131/216) ======================= q-point: (-0.27 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.574 ( 7.152 2.623 11.625) 13.899 4.921 ( -6.325 16.313 19.859) 26.467 5.216 ( -3.237 7.230 11.894) 14.290 5.755 ( 4.872 -0.158 1.020) 4.980 6.043 ( -4.149 0.389 -2.601) 4.912 6.446 ( 4.749 -3.405 2.264) 6.267 7.274 ( 7.431 10.936 2.735) 13.502 7.391 ( -3.405 7.877 6.802) 10.951 8.554 ( 6.755 5.043 -0.694) 8.458 8.652 ( 7.201 12.733 -0.594) 14.640 8.921 ( 5.722 3.449 8.844) 11.084 9.243 ( -18.149 20.047 1.620) 27.090 10.075 ( -24.668 7.696 -7.542) 26.919 10.500 ( 3.300 16.433 1.290) 16.811 11.707 ( -0.040 -16.151 3.426) 16.510 11.935 ( -0.562 14.823 -8.894) 17.296 12.117 ( -4.635 -13.213 -21.372) 25.550 12.672 ( 1.665 9.172 -0.641) 9.343 13.530 ( -1.028 -20.477 -13.269) 24.422 13.709 ( 5.941 -8.964 -15.166) 18.592 15.517 ( 14.985 6.143 15.092) 22.137 16.582 ( 14.495 -23.205 12.498) 30.080 17.102 ( -20.788 1.463 -9.525) 22.913 18.520 ( -1.669 -14.329 -5.773) 15.538 20.980 ( 1.492 -1.609 10.001) 10.239 21.203 ( 2.496 4.677 6.616) 8.478 24.160 ( -0.340 2.668 9.602) 9.971 24.316 ( 0.878 -2.606 10.194) 10.559 24.797 ( -3.256 6.655 -5.926) 9.487 25.418 ( 1.792 -1.980 -16.727) 16.939 26.654 ( -1.924 -3.001 7.438) 8.248 26.967 ( -0.853 -7.042 0.600) 7.119 27.806 ( -1.011 5.410 18.405) 19.211 29.216 ( 10.807 -6.113 -12.956) 17.945 33.019 ( -7.803 3.455 6.744) 10.877 34.024 ( -0.558 19.967 -14.146) 24.476 ======================= Grid point 406 (132/216) ======================= q-point: (-0.18 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.461 ( 0.000 27.916 28.486) 39.885 4.651 ( 0.000 0.218 16.583) 16.584 5.089 ( 0.000 3.990 16.110) 16.596 5.853 ( -0.000 -6.077 -5.290) 8.057 5.963 ( 0.000 5.558 -5.423) 7.765 6.509 ( -0.000 -0.869 -2.728) 2.863 7.209 ( 0.000 4.881 5.837) 7.608 7.233 ( 0.000 4.866 8.951) 10.188 8.218 ( 0.000 40.443 22.660) 46.359 8.479 ( 0.000 11.914 3.515) 12.422 8.620 ( 0.000 11.539 -17.871) 21.272 9.324 ( -0.000 -16.826 -4.336) 17.375 9.777 ( 0.000 12.564 -4.272) 13.271 10.183 ( 0.000 22.089 5.585) 22.784 11.542 ( 0.000 20.691 -7.761) 22.099 11.805 ( 0.000 7.509 -40.567) 41.256 12.520 ( -0.000 -30.224 17.207) 34.779 12.536 ( 0.000 6.821 1.915) 7.085 13.875 ( -0.000 -7.341 -16.190) 17.776 13.939 ( -0.000 -27.534 -7.360) 28.501 15.498 ( 0.000 4.224 9.385) 10.291 16.816 ( 0.000 6.568 -30.537) 31.235 17.277 ( -0.000 -35.529 28.510) 45.553 18.739 ( -0.000 -12.587 2.315) 12.798 20.984 ( 0.000 2.386 8.705) 9.026 21.147 ( 0.000 2.938 2.757) 4.029 24.113 ( 0.000 2.731 7.073) 7.582 24.375 ( -0.000 -4.069 12.623) 13.262 24.658 ( 0.000 8.120 -5.660) 9.898 25.428 ( 0.000 1.772 -14.324) 14.433 26.678 ( -0.000 -1.288 5.089) 5.249 27.057 ( -0.000 -3.715 -2.560) 4.512 27.722 ( 0.000 3.917 21.534) 21.887 29.367 ( -0.000 -4.609 -16.160) 16.804 32.915 ( 0.000 3.330 5.632) 6.543 33.699 ( 0.000 18.209 -10.900) 21.222 ======================= Grid point 411 (133/216) ======================= q-point: ( 0.27 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.402 ( 13.843 0.000 35.670) 38.262 4.932 ( 15.873 0.000 18.224) 24.168 5.542 ( 0.949 0.000 -1.692) 1.940 5.772 ( 11.677 0.000 1.168) 11.736 6.356 ( 11.218 0.000 -7.985) 13.770 6.388 ( 8.887 0.000 -1.485) 9.010 7.074 ( 13.444 0.000 -0.919) 13.476 7.202 ( 2.503 0.000 -1.741) 3.049 7.689 ( 2.977 0.000 13.664) 13.985 8.046 ( 46.609 0.000 30.998) 55.975 8.793 ( 2.983 0.000 8.356) 8.872 9.444 ( -15.784 -0.000 -19.897) 25.397 9.994 ( 11.145 0.000 -4.585) 12.051 10.437 ( 13.829 0.000 -4.111) 14.427 10.739 ( 17.857 0.000 -17.196) 24.791 11.990 ( -12.122 -0.000 0.576) 12.136 12.064 ( -10.955 -0.000 3.108) 11.387 12.348 ( 3.309 0.000 -1.730) 3.734 13.608 ( -8.507 -0.000 -4.656) 9.698 13.907 ( -29.145 -0.000 -12.534) 31.726 15.653 ( -21.029 -0.000 -2.648) 21.195 17.040 ( 10.683 0.000 -38.860) 40.302 18.814 ( -4.866 -0.000 26.036) 26.487 18.935 ( -0.083 -0.000 22.327) 22.327 20.231 ( -12.013 -0.000 9.515) 15.324 20.704 ( -4.701 -0.000 -1.659) 4.985 24.174 ( 4.960 0.000 1.093) 5.079 24.323 ( 2.917 0.000 -7.215) 7.783 24.712 ( -3.459 -0.000 0.367) 3.479 24.814 ( -5.846 -0.000 -2.560) 6.382 26.183 ( -15.493 -0.000 21.069) 26.152 26.893 ( -4.365 -0.000 6.803) 8.083 27.877 ( 10.044 0.000 7.429) 12.493 28.548 ( 6.814 0.000 -9.065) 11.341 33.221 ( 5.748 0.000 10.259) 11.760 35.121 ( 24.244 0.000 -34.994) 42.571 ======================= Grid point 412 (134/216) ======================= q-point: ( 0.36 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.639 ( 8.856 -13.515 31.316) 35.239 5.063 ( 10.367 -1.528 14.529) 17.913 5.507 ( 1.689 5.939 2.906) 6.824 5.846 ( 4.620 0.559 4.311) 6.344 6.417 ( 10.663 4.879 -5.462) 12.936 6.455 ( 3.544 1.741 -3.067) 4.999 7.129 ( 11.274 3.427 5.375) 12.952 7.369 ( 11.965 -8.458 0.643) 14.667 7.787 ( 15.846 -1.407 8.525) 18.049 8.546 ( 40.860 -7.519 25.414) 48.703 8.856 ( 6.381 -0.884 1.291) 6.570 9.306 ( -10.611 -0.354 -12.913) 16.717 9.964 ( -15.814 -4.502 -16.591) 23.358 10.619 ( 21.315 5.010 5.743) 22.636 11.023 ( 12.911 -14.157 -11.375) 22.283 11.716 ( -18.958 4.683 7.339) 20.862 12.101 ( -5.246 -10.010 -0.165) 11.303 12.513 ( 18.391 -2.670 -12.956) 22.654 13.415 ( -17.288 9.811 -5.511) 20.627 13.683 ( -19.380 -3.195 -14.312) 24.303 15.411 ( -27.634 -0.568 1.949) 27.708 17.086 ( 13.368 8.517 -33.458) 37.022 18.385 ( -7.878 27.848 23.081) 37.018 19.058 ( -3.241 0.831 12.748) 13.179 20.196 ( -8.997 -9.945 14.790) 19.965 20.767 ( -0.448 -9.840 1.246) 9.929 24.175 ( 4.341 3.412 2.154) 5.927 24.425 ( 1.994 -4.407 -4.483) 6.595 24.624 ( -1.287 0.670 -0.624) 1.580 24.866 ( -5.464 -8.435 -5.981) 11.695 26.093 ( -12.947 -5.342 20.144) 24.535 26.850 ( -4.729 -0.030 7.714) 9.048 27.982 ( 9.724 -1.011 5.928) 11.433 28.611 ( 8.429 1.374 -9.568) 12.825 33.270 ( 4.207 0.237 12.004) 12.722 35.250 ( 17.008 7.958 -32.655) 37.669 ======================= Grid point 413 (135/216) ======================= q-point: ( 0.45 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.920 ( 5.893 -9.275 22.613) 25.142 5.179 ( 9.633 1.387 11.266) 14.888 5.405 ( -4.701 2.175 6.544) 8.346 5.859 ( 0.797 0.292 5.392) 5.459 6.344 ( 2.976 10.448 0.512) 10.876 6.432 ( 5.681 6.147 -4.478) 9.493 7.283 ( 13.545 -7.862 11.495) 19.427 7.635 ( 16.303 -5.921 2.180) 17.481 7.980 ( 21.228 1.477 1.507) 21.333 8.850 ( 4.010 6.433 -3.508) 8.353 9.050 ( 17.082 -17.782 19.379) 31.361 9.325 ( 10.091 -1.528 3.260) 10.714 9.974 ( -12.304 -14.708 -19.308) 27.212 10.560 ( -16.477 2.733 5.157) 17.480 11.293 ( -1.115 -4.389 -4.465) 6.359 11.617 ( 4.836 -3.180 -8.251) 10.079 12.238 ( -4.264 -7.190 -12.732) 15.231 12.740 ( 12.504 -7.327 -5.208) 15.400 13.091 ( -6.964 8.809 -3.530) 11.771 13.590 ( -7.871 -0.070 -14.568) 16.558 15.193 ( -26.707 -5.993 7.627) 28.414 16.979 ( 16.192 23.645 -9.283) 30.123 17.911 ( -10.086 14.843 3.002) 18.195 18.804 ( -9.313 19.397 -0.415) 21.521 20.379 ( -3.705 -17.001 20.185) 26.650 20.967 ( 3.028 -11.392 5.526) 13.019 24.174 ( 3.860 1.315 4.381) 5.985 24.397 ( -2.644 3.611 5.168) 6.837 24.761 ( 3.806 -11.186 -9.658) 15.261 24.951 ( -4.383 -7.327 -9.584) 12.836 26.103 ( -11.061 -9.694 17.965) 23.217 26.806 ( -4.197 0.015 8.006) 9.039 28.078 ( 7.576 0.270 5.289) 9.244 28.673 ( 8.465 0.266 -8.275) 11.841 33.284 ( 1.526 1.535 12.587) 12.772 35.199 ( 11.269 14.204 -28.813) 34.043 ======================= Grid point 414 (136/216) ======================= q-point: ( 0.55 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.990 ( 5.542 10.316 12.356) 17.023 5.154 ( 6.265 3.575 9.230) 11.714 5.413 ( -9.097 -6.957 10.196) 15.334 5.874 ( 0.138 -2.070 4.593) 5.039 6.181 ( 0.138 10.394 1.228) 10.467 6.385 ( 6.745 5.827 1.224) 8.998 7.579 ( 17.200 -5.891 6.751) 19.394 7.807 ( 8.043 -0.298 4.266) 9.109 8.122 ( 21.050 5.751 3.824) 22.154 8.863 ( 8.839 -2.198 3.200) 9.653 9.192 ( -8.179 2.221 1.936) 8.693 9.663 ( 20.617 -16.972 20.145) 33.451 10.057 ( -18.255 -3.149 -1.766) 18.609 10.491 ( -13.885 -22.142 -15.938) 30.612 11.193 ( -7.227 7.964 -3.745) 11.388 11.626 ( -16.085 3.519 -11.479) 20.072 12.234 ( -6.213 -7.061 -31.404) 32.783 13.000 ( 17.180 -0.236 8.072) 18.983 13.080 ( 5.839 -6.289 -11.824) 14.610 13.533 ( 3.488 3.459 -10.348) 11.455 15.150 ( -16.213 -15.587 14.983) 27.024 16.609 ( 9.086 32.828 18.845) 38.928 17.754 ( 0.022 1.092 -18.939) 18.970 18.342 ( -14.544 19.746 -9.574) 26.327 20.621 ( -0.767 -13.898 19.786) 24.191 21.163 ( 3.733 -7.543 8.217) 11.763 24.200 ( 3.210 -0.107 7.153) 7.841 24.319 ( -2.424 2.609 7.197) 8.030 24.939 ( -1.582 -5.415 -6.677) 8.741 25.053 ( 1.431 -9.137 -17.420) 19.723 26.201 ( -8.267 -13.277 15.332) 21.902 26.776 ( -2.918 -0.694 7.510) 8.087 28.097 ( 4.123 4.422 6.717) 9.038 28.785 ( 8.066 -4.436 -7.552) 11.907 33.246 ( -1.208 3.235 12.282) 12.758 35.010 ( 6.439 18.552 -24.923) 31.729 ======================= Grid point 415 (137/216) ======================= q-point: (-0.36 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.798 ( 2.065 13.206 9.501) 16.399 5.201 ( 7.156 0.754 7.415) 10.333 5.373 ( -8.970 1.501 10.794) 14.115 5.925 ( 2.145 -1.514 2.465) 3.602 6.014 ( -2.299 7.676 3.274) 8.656 6.382 ( 4.495 1.219 4.518) 6.489 7.624 ( 3.774 9.945 -11.617) 15.751 7.876 ( 15.492 11.411 15.450) 24.676 8.249 ( 9.358 -6.951 23.780) 26.483 8.824 ( -17.057 3.554 -6.057) 18.446 9.241 ( 28.481 2.151 -2.142) 28.642 9.807 ( -15.969 5.627 5.119) 17.688 10.083 ( -9.435 -12.507 5.779) 16.699 10.695 ( -5.595 -10.180 -3.431) 12.112 11.063 ( -2.263 1.396 -3.461) 4.364 11.448 ( -15.265 -14.360 -16.209) 26.495 12.344 ( 1.322 -4.203 -33.622) 33.909 13.012 ( 6.589 10.200 7.355) 14.197 13.204 ( -2.470 -4.489 -24.141) 24.679 13.571 ( 9.919 1.354 -4.154) 10.838 15.443 ( 4.176 -26.476 23.540) 35.673 16.165 ( -2.202 23.309 24.266) 33.719 17.643 ( 3.551 21.801 -14.393) 26.364 18.074 ( -10.780 -8.835 -20.636) 24.902 20.810 ( 0.374 -9.183 16.956) 19.287 21.273 ( 2.376 -2.070 8.963) 9.501 24.224 ( 1.277 0.720 12.400) 12.486 24.274 ( -0.753 0.391 4.884) 4.957 24.939 ( -2.487 1.246 -5.962) 6.579 25.233 ( 1.917 -8.868 -19.376) 21.395 26.373 ( -3.933 -13.918 11.931) 18.749 26.779 ( -1.485 -2.525 6.104) 6.770 28.023 ( 1.294 7.044 10.647) 12.832 28.961 ( 5.810 -8.108 -8.971) 13.415 33.160 ( -2.443 4.717 11.331) 12.515 34.721 ( 2.441 21.145 -21.250) 30.077 ======================= Grid point 416 (138/216) ======================= q-point: (-0.27 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.648 ( 0.000 5.762 9.347) 10.980 5.175 ( 0.000 13.095 17.253) 21.660 5.261 ( 0.000 0.783 4.089) 4.163 5.841 ( 0.000 7.825 4.977) 9.274 6.003 ( -0.000 -2.968 0.471) 3.005 6.418 ( -0.000 -2.436 4.346) 4.982 7.470 ( 0.000 9.359 -6.509) 11.400 7.641 ( 0.000 21.027 14.379) 25.473 8.513 ( -0.000 -15.980 23.393) 28.330 8.664 ( 0.000 4.636 -6.052) 7.624 9.361 ( 0.000 12.518 -20.692) 24.184 9.425 ( 0.000 23.643 11.470) 26.278 9.992 ( 0.000 1.695 -6.249) 6.475 10.815 ( 0.000 16.432 -0.491) 16.439 11.157 ( -0.000 -35.282 22.358) 41.769 11.788 ( -0.000 -23.579 -29.805) 38.004 12.283 ( 0.000 14.112 -20.587) 24.960 12.849 ( 0.000 10.934 2.333) 11.180 13.281 ( -0.000 -8.560 -22.809) 24.362 13.632 ( -0.000 -3.638 -10.227) 10.855 15.787 ( 0.000 16.356 20.562) 26.274 16.056 ( -0.000 -36.957 27.936) 46.327 17.265 ( 0.000 21.071 -18.539) 28.066 18.260 ( -0.000 -15.292 -14.682) 21.200 20.930 ( -0.000 -5.137 13.218) 14.181 21.279 ( 0.000 2.502 8.273) 8.643 24.199 ( 0.000 2.203 12.152) 12.350 24.287 ( -0.000 -1.546 6.918) 7.089 24.875 ( 0.000 4.577 -5.712) 7.319 25.363 ( -0.000 -5.664 -18.690) 19.529 26.551 ( -0.000 -8.829 9.129) 12.700 26.842 ( -0.000 -6.209 3.362) 7.060 27.908 ( 0.000 7.052 15.306) 16.853 29.136 ( -0.000 -8.774 -11.497) 14.463 33.061 ( 0.000 5.184 9.720) 11.016 34.373 ( 0.000 21.796 -17.660) 28.052 ======================= Grid point 423 (139/216) ======================= q-point: ( 0.36 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.584 ( 6.051 0.000 33.960) 34.495 5.115 ( 5.277 0.000 13.379) 14.382 5.611 ( 4.995 0.000 3.980) 6.387 5.868 ( -0.094 -0.000 6.033) 6.034 6.502 ( 4.373 0.000 -4.486) 6.265 6.552 ( 6.936 0.000 -1.323) 7.061 7.174 ( -5.661 -0.000 8.911) 10.557 7.510 ( 30.528 0.000 1.681) 30.574 7.969 ( 23.813 0.000 4.759) 24.284 8.683 ( 6.806 0.000 27.200) 28.039 9.139 ( 41.945 0.000 -4.210) 42.156 9.216 ( -5.148 -0.000 -19.194) 19.872 9.701 ( -26.283 -0.000 -14.135) 29.843 10.775 ( -22.276 -0.000 -0.031) 22.276 11.031 ( 29.721 0.000 3.759) 29.958 11.640 ( -3.184 -0.000 -3.476) 4.714 12.000 ( 3.590 0.000 3.599) 5.084 12.647 ( 12.106 0.000 -16.534) 20.492 13.376 ( -21.623 -0.000 -13.124) 25.294 13.462 ( -4.492 -0.000 -5.292) 6.941 15.077 ( -37.477 -0.000 5.182) 37.834 17.272 ( 12.774 0.000 -40.967) 42.912 18.743 ( -2.623 -0.000 26.924) 27.051 18.882 ( -5.384 -0.000 19.804) 20.523 20.038 ( -7.619 -0.000 13.973) 15.916 20.654 ( -1.010 -0.000 -1.282) 1.632 24.278 ( 5.680 0.000 4.466) 7.225 24.381 ( 2.999 0.000 -8.437) 8.954 24.644 ( -3.530 -0.000 0.111) 3.532 24.704 ( -5.617 -0.000 -5.728) 8.023 25.946 ( -9.153 -0.000 20.659) 22.596 26.808 ( -3.951 -0.000 7.928) 8.858 28.061 ( 8.417 0.000 5.215) 9.901 28.706 ( 8.161 0.000 -11.295) 13.934 33.314 ( 3.752 0.000 14.259) 14.744 35.451 ( 11.249 0.000 -32.700) 34.581 ======================= Grid point 424 (140/216) ======================= q-point: ( 0.45 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.754 ( 4.033 -13.286 31.950) 34.837 5.170 ( 2.212 -2.176 11.181) 11.603 5.574 ( 3.780 9.497 5.507) 11.611 5.856 ( -1.559 0.215 6.775) 6.956 6.492 ( 0.495 5.494 -1.923) 5.842 6.570 ( 5.206 3.832 -2.288) 6.857 7.179 ( -2.239 -8.103 13.519) 15.919 7.825 ( 30.673 -0.055 0.595) 30.679 8.213 ( 23.205 -1.502 -0.605) 23.262 8.760 ( -4.221 -6.048 26.412) 27.423 9.126 ( 5.900 5.987 -10.510) 13.458 9.493 ( -1.536 -6.341 -17.798) 18.956 9.644 ( 18.494 -7.574 -3.865) 20.355 10.405 ( -35.871 6.568 7.856) 37.304 11.289 ( 12.092 -2.038 -6.520) 13.888 11.667 ( 8.961 0.529 -11.982) 14.971 12.077 ( -7.759 -4.719 -5.274) 10.502 12.739 ( 5.238 -3.781 -12.222) 13.824 13.196 ( 4.259 5.667 -4.556) 8.427 13.501 ( -0.446 -4.564 -6.908) 8.292 14.753 ( -38.706 -6.728 9.617) 40.446 17.368 ( 14.648 3.878 -37.451) 40.400 18.230 ( -8.302 34.291 23.519) 42.402 18.976 ( -4.433 4.590 10.462) 12.255 20.069 ( -4.180 -12.851 20.217) 24.317 20.774 ( 0.754 -12.694 1.808) 12.844 24.264 ( 4.857 4.416 4.153) 7.768 24.426 ( -2.026 2.334 -0.415) 3.118 24.628 ( 1.851 -7.297 -5.830) 9.522 24.768 ( -4.599 -9.008 -8.323) 13.099 25.905 ( -6.569 -4.033 19.773) 21.222 26.774 ( -2.910 0.175 8.027) 8.540 28.139 ( 6.071 -0.737 4.672) 7.696 28.761 ( 6.186 1.447 -10.844) 12.568 33.331 ( 2.126 1.507 15.174) 15.396 35.471 ( 6.843 7.863 -30.721) 32.441 ======================= Grid point 425 (141/216) ======================= q-point: ( 0.55 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.031 ( 5.160 -12.801 24.224) 27.880 5.219 ( -3.327 -3.859 9.780) 11.027 5.383 ( 1.371 15.573 7.583) 17.375 5.843 ( -1.091 -0.573 6.246) 6.367 6.355 ( -0.267 9.885 -0.293) 9.893 6.526 ( 2.708 5.709 -1.538) 6.503 7.419 ( 2.488 -19.188 19.257) 27.299 7.986 ( 13.451 8.948 -15.013) 22.054 8.475 ( 26.721 -1.195 -3.076) 26.924 8.786 ( -4.700 -7.659 38.140) 39.184 9.093 ( -7.453 5.599 1.936) 9.521 9.672 ( 5.679 -16.291 -15.430) 23.146 9.933 ( 9.158 0.978 -1.428) 9.320 10.033 ( -21.092 -8.388 -2.894) 22.883 11.320 ( 5.733 6.836 -8.725) 12.479 11.604 ( -13.763 11.579 -10.996) 21.081 12.039 ( -5.614 -8.908 -27.899) 29.819 12.931 ( 2.901 -11.201 -12.028) 16.690 13.235 ( 13.818 4.840 4.131) 15.213 13.599 ( 8.405 -2.279 -4.482) 9.794 14.631 ( -26.036 -18.780 15.496) 35.647 17.309 ( 15.601 32.972 12.156) 38.448 17.709 ( -10.715 3.781 -21.698) 24.493 18.651 ( -5.076 25.059 -1.094) 25.591 20.334 ( -1.084 -19.045 23.426) 30.210 21.012 ( 1.334 -13.208 5.990) 14.564 24.253 ( 4.242 2.268 6.671) 8.225 24.335 ( -3.772 3.213 3.461) 6.044 24.814 ( 1.428 -9.241 -5.355) 10.775 24.892 ( -1.532 -10.299 -16.269) 19.316 25.956 ( -4.015 -8.532 18.735) 20.974 26.750 ( -1.518 0.041 7.777) 7.924 28.183 ( 2.977 1.373 4.687) 5.720 28.795 ( 3.554 -0.692 -9.127) 9.819 33.302 ( 0.401 3.417 14.942) 15.333 35.333 ( 3.237 14.374 -27.942) 31.588 ======================= Grid point 426 (142/216) ======================= q-point: (-0.36 -0.64 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.067 ( 0.000 16.403 7.822) 18.172 5.245 ( 0.000 0.374 6.426) 6.437 5.270 ( -0.000 -7.990 19.024) 20.634 5.866 ( -0.000 -3.079 5.237) 6.075 6.182 ( 0.000 10.746 0.383) 10.753 6.452 ( 0.000 4.540 1.440) 4.763 7.779 ( -0.000 -19.898 26.061) 32.789 7.840 ( 0.000 12.696 -17.650) 21.742 8.616 ( 0.000 25.015 15.691) 29.529 8.711 ( -0.000 -1.853 -9.265) 9.448 9.114 ( -0.000 -22.813 30.954) 38.453 9.796 ( -0.000 -0.554 -2.543) 2.603 10.032 ( 0.000 2.591 -2.056) 3.307 10.271 ( -0.000 -29.244 -17.662) 34.164 11.246 ( 0.000 8.273 -11.475) 14.146 11.249 ( 0.000 9.432 -6.316) 11.352 12.209 ( -0.000 -11.181 -34.326) 36.101 13.098 ( -0.000 -7.555 -21.708) 22.985 13.201 ( 0.000 7.431 7.061) 10.251 13.658 ( 0.000 1.696 -2.256) 2.822 14.927 ( -0.000 -29.935 22.035) 37.170 16.711 ( 0.000 38.708 29.328) 48.563 17.801 ( -0.000 -11.475 -33.001) 34.939 18.150 ( 0.000 30.036 -7.747) 31.019 20.615 ( -0.000 -14.712 21.040) 25.673 21.200 ( -0.000 -8.143 8.357) 11.668 24.255 ( 0.000 1.533 15.339) 15.415 24.271 ( 0.000 0.905 -1.012) 1.358 24.915 ( -0.000 -3.159 -5.263) 6.138 25.076 ( -0.000 -11.076 -19.831) 22.715 26.118 ( -0.000 -13.343 16.066) 20.885 26.747 ( -0.000 -0.733 7.167) 7.204 28.139 ( 0.000 5.488 6.708) 8.667 28.867 ( -0.000 -5.719 -8.317) 10.094 33.233 ( 0.000 4.816 13.696) 14.518 35.069 ( 0.000 18.994 -24.787) 31.228 ======================= Grid point 436 (143/216) ======================= q-point: ( 0.45 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( 2.145 0.000 36.693) 36.756 5.174 ( 1.353 0.000 10.756) 10.841 5.688 ( 2.320 0.000 4.731) 5.270 5.844 ( -1.177 -0.000 7.640) 7.730 6.547 ( 0.872 0.000 -2.906) 3.034 6.639 ( 2.239 0.000 -0.375) 2.270 7.065 ( -3.834 -0.000 12.756) 13.320 8.153 ( 34.053 0.000 6.728) 34.712 8.355 ( 10.804 0.000 -9.390) 14.314 8.645 ( -11.382 -0.000 25.760) 28.163 9.153 ( -20.857 -0.000 -21.513) 29.964 9.386 ( 25.431 0.000 -4.751) 25.871 9.906 ( 25.185 0.000 -3.760) 25.464 10.082 ( -41.409 -0.000 8.362) 42.245 11.414 ( 13.332 0.000 -11.953) 17.905 11.760 ( 7.170 0.000 -16.882) 18.341 11.942 ( -13.509 -0.000 -0.961) 13.543 12.709 ( -2.136 -0.000 -18.740) 18.861 13.381 ( 22.506 0.000 -0.521) 22.512 13.463 ( 2.260 0.000 -1.251) 2.583 14.306 ( -38.544 -0.000 12.905) 40.647 17.479 ( 6.905 0.000 -47.444) 47.944 18.711 ( -0.813 -0.000 27.409) 27.421 18.768 ( -4.561 -0.000 21.708) 22.182 19.945 ( -2.266 -0.000 17.475) 17.621 20.648 ( 0.003 0.000 -1.227) 1.227 24.376 ( 3.709 0.000 11.812) 12.381 24.431 ( 1.855 0.000 -10.594) 10.756 24.586 ( -2.070 -0.000 1.500) 2.557 24.610 ( -3.524 -0.000 -13.007) 13.476 25.830 ( -2.966 -0.000 19.573) 19.796 26.754 ( -1.504 -0.000 8.106) 8.245 28.176 ( 3.196 0.000 4.556) 5.565 28.822 ( 3.310 0.000 -12.018) 12.465 33.362 ( 1.270 0.000 16.364) 16.413 35.584 ( 3.162 0.000 -30.874) 31.036 ======================= Grid point 437 (144/216) ======================= q-point: (-0.45 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.796 ( -0.000 -13.771 34.054) 36.733 5.187 ( -0.000 -0.686 9.812) 9.836 5.614 ( 0.000 10.032 5.640) 11.508 5.835 ( 0.000 0.195 7.338) 7.340 6.493 ( 0.000 6.565 -1.713) 6.785 6.620 ( 0.000 3.624 -1.224) 3.825 7.149 ( -0.000 -12.238 14.708) 19.133 8.254 ( 0.000 11.185 -20.648) 23.483 8.542 ( -0.000 -8.063 56.724) 57.294 8.555 ( -0.000 -7.064 -15.019) 16.597 9.117 ( -0.000 -5.569 -17.696) 18.552 9.664 ( 0.000 4.354 10.205) 11.095 9.688 ( -0.000 -2.808 -7.010) 7.552 10.047 ( -0.000 -1.390 -4.151) 4.377 11.459 ( 0.000 3.817 -12.498) 13.068 11.749 ( 0.000 11.844 -7.203) 13.862 11.863 ( -0.000 -7.373 -22.145) 23.340 12.769 ( -0.000 -8.432 -15.290) 17.461 13.404 ( 0.000 5.823 1.735) 6.076 13.610 ( -0.000 -4.205 -1.469) 4.455 14.180 ( -0.000 -13.400 16.482) 21.242 17.545 ( -0.000 -3.861 -46.958) 47.116 18.121 ( 0.000 41.924 30.087) 51.603 18.927 ( 0.000 6.036 10.775) 12.351 20.030 ( -0.000 -13.764 22.271) 26.181 20.783 ( -0.000 -13.632 1.958) 13.772 24.342 ( 0.000 4.137 14.692) 15.263 24.372 ( 0.000 5.186 -9.180) 10.544 24.672 ( -0.000 -9.026 0.859) 9.067 24.701 ( -0.000 -10.130 -17.346) 20.088 25.842 ( -0.000 -3.355 19.470) 19.757 26.745 ( 0.000 0.198 8.023) 8.025 28.199 ( -0.000 -0.673 4.380) 4.432 28.823 ( 0.000 1.391 -11.180) 11.266 33.351 ( 0.000 1.997 16.273) 16.395 35.534 ( 0.000 7.789 -29.881) 30.880 ======================= Grid point 500 (145/216) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( 0.000 0.000 39.485) 39.485 4.454 ( 0.000 0.000 38.672) 38.672 5.245 ( 0.000 0.000 -20.219) 20.219 5.321 ( 0.000 0.000 -2.022) 2.022 5.689 ( 0.000 0.000 -9.866) 9.866 5.808 ( 0.000 0.000 -17.196) 17.196 7.221 ( 0.000 0.000 3.649) 3.649 7.492 ( 0.000 0.000 26.010) 26.010 7.588 ( 0.000 0.000 5.106) 5.106 7.776 ( 0.000 0.000 -21.544) 21.544 8.442 ( 0.000 0.000 7.923) 7.923 8.795 ( 0.000 0.000 -1.195) 1.195 9.572 ( 0.000 0.000 33.929) 33.929 10.044 ( 0.000 0.000 -18.139) 18.139 10.088 ( 0.000 0.000 -21.772) 21.772 10.755 ( 0.000 0.000 -18.718) 18.718 13.154 ( 0.000 0.000 11.536) 11.536 13.654 ( 0.000 0.000 -2.708) 2.708 14.115 ( 0.000 0.000 23.134) 23.134 14.901 ( 0.000 0.000 -14.410) 14.410 15.257 ( 0.000 0.000 -0.298) 0.298 15.867 ( 0.000 0.000 -37.114) 37.114 19.302 ( 0.000 0.000 17.785) 17.785 19.406 ( 0.000 0.000 12.285) 12.285 20.860 ( 0.000 0.000 4.475) 4.475 21.041 ( 0.000 0.000 -5.026) 5.026 24.029 ( 0.000 0.000 0.925) 0.925 24.120 ( 0.000 0.000 -3.658) 3.658 24.892 ( 0.000 0.000 2.919) 2.919 25.001 ( 0.000 0.000 -2.269) 2.269 26.746 ( 0.000 0.000 -1.800) 1.800 26.807 ( 0.000 0.000 -4.499) 4.499 28.145 ( 0.000 0.000 24.570) 24.570 29.065 ( 0.000 0.000 -19.164) 19.164 32.904 ( 0.000 0.000 -0.270) 0.270 32.926 ( 0.000 0.000 -1.273) 1.273 ======================= Grid point 501 (146/216) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( 9.909 -8.445 36.317) 38.580 4.643 ( 6.202 -17.163 35.139) 39.596 5.288 ( -0.304 -3.577 -14.331) 14.774 5.366 ( 5.795 -2.958 -4.485) 7.902 5.678 ( 1.527 0.602 -9.640) 9.779 5.930 ( 3.811 -10.637 -16.912) 20.340 7.165 ( -9.872 -0.836 3.870) 10.637 7.433 ( -12.420 2.791 3.841) 13.297 7.625 ( 8.345 -6.093 19.065) 21.685 7.819 ( 4.424 0.895 -11.423) 12.283 8.490 ( 15.132 0.673 11.308) 18.902 8.999 ( 17.188 -11.516 -4.640) 21.203 9.619 ( -3.980 -7.265 27.096) 28.334 9.901 ( 0.786 7.928 -7.611) 11.018 10.237 ( -4.090 -11.894 -26.595) 29.420 10.813 ( 6.985 -2.857 -18.949) 20.397 12.994 ( -7.579 11.709 14.225) 19.922 13.669 ( -4.982 -2.342 -7.661) 9.434 14.005 ( -7.201 8.426 21.030) 23.772 14.745 ( -13.452 7.763 -13.210) 20.389 15.358 ( 11.558 -1.826 -0.533) 11.714 15.915 ( 3.294 -3.160 -33.684) 33.992 19.157 ( -0.708 15.365 19.427) 24.779 19.383 ( -0.360 4.383 9.169) 10.169 20.863 ( -3.563 -2.820 4.332) 6.278 21.026 ( -4.011 -0.921 -4.264) 5.926 24.047 ( 0.454 -1.931 1.623) 2.563 24.166 ( 0.675 -4.949 -4.191) 6.520 24.846 ( -1.121 3.699 5.241) 6.512 25.035 ( -1.621 -3.940 -4.375) 6.107 26.745 ( 1.834 0.393 0.167) 1.883 26.863 ( 2.639 -3.992 -5.041) 6.951 28.128 ( -3.101 0.074 23.569) 23.772 28.988 ( -14.834 -0.139 -17.106) 22.643 32.951 ( 9.182 -0.314 0.401) 9.196 33.040 ( 14.413 -4.232 -4.018) 15.550 ======================= Grid point 502 (147/216) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( 9.928 -10.659 29.128) 32.567 5.001 ( 7.374 -13.632 22.733) 27.514 5.351 ( 3.889 -2.640 2.978) 5.564 5.502 ( 6.485 -4.231 -11.279) 13.681 5.719 ( 1.558 -4.416 -7.297) 8.670 6.166 ( 5.486 -10.023 -14.456) 18.426 7.085 ( -10.182 -1.286 4.290) 11.123 7.338 ( -10.282 -6.340 -1.188) 12.138 7.775 ( 2.502 -3.663 6.191) 7.616 7.921 ( 8.841 -8.604 5.101) 13.350 8.729 ( 27.272 -4.970 18.523) 33.340 9.392 ( 18.102 -9.773 -5.291) 21.241 9.686 ( -1.549 -6.865 3.855) 8.024 9.918 ( 7.822 -6.567 14.792) 17.975 10.391 ( -5.777 -13.090 -28.702) 32.071 10.975 ( 11.251 -5.991 -20.902) 24.482 12.716 ( -10.562 9.582 15.894) 21.354 13.578 ( -11.039 5.511 -9.441) 15.536 13.744 ( -8.223 11.992 12.344) 19.074 14.434 ( -14.554 13.368 -13.275) 23.807 15.465 ( 6.153 0.274 2.825) 6.776 15.999 ( 1.722 -3.037 -27.501) 27.722 18.817 ( -2.538 22.823 21.217) 31.265 19.232 ( -1.978 12.599 2.477) 12.992 20.895 ( -4.353 -5.766 4.381) 8.449 21.015 ( -4.100 -3.006 -1.986) 5.458 24.100 ( 0.583 -3.832 3.281) 5.078 24.285 ( 1.621 -7.675 -5.488) 9.574 24.770 ( -1.408 3.816 8.400) 9.333 25.078 ( -2.814 -3.535 -7.368) 8.643 26.776 ( 2.846 -1.265 3.510) 4.693 26.963 ( 3.625 -3.976 -4.716) 7.154 28.095 ( -4.065 -0.751 20.800) 21.207 28.823 ( -20.362 -1.299 -13.385) 24.402 33.076 ( 10.817 -2.736 1.976) 11.331 33.293 ( 22.972 -3.294 -8.903) 24.856 ======================= Grid point 503 (148/216) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( 6.115 -5.290 21.110) 22.606 5.213 ( 4.728 -7.309 7.893) 11.750 5.398 ( 4.159 4.565 7.260) 9.531 5.590 ( 4.604 -1.863 -3.927) 6.332 5.859 ( 2.233 -8.244 -3.163) 9.108 6.303 ( 1.385 -2.275 -9.682) 10.042 7.037 ( -6.448 -3.223 6.490) 9.700 7.408 ( -6.172 -8.170 -6.934) 12.366 7.903 ( 4.587 -9.101 8.347) 13.174 8.187 ( 7.219 -12.687 4.803) 15.367 9.127 ( 21.111 -9.428 15.144) 27.639 9.587 ( 15.130 -7.249 7.571) 18.407 9.940 ( 3.963 -13.356 14.109) 19.828 10.196 ( 17.379 -10.643 -5.133) 21.015 10.612 ( 0.935 -18.453 -24.944) 31.041 11.225 ( 15.161 -9.168 -24.209) 30.000 12.508 ( -11.301 2.819 14.889) 18.903 13.271 ( -13.782 14.703 6.314) 21.118 13.501 ( -6.790 9.715 -9.387) 15.119 14.028 ( -15.690 17.941 -13.653) 27.467 15.448 ( -2.049 4.371 8.351) 9.646 16.022 ( -3.177 -0.107 -22.115) 22.342 18.409 ( -1.379 22.345 20.246) 30.185 18.942 ( -5.701 17.142 -3.972) 18.496 20.967 ( -2.943 -6.778 4.905) 8.869 21.052 ( -1.489 -4.355 0.454) 4.625 24.181 ( 0.731 -5.006 5.308) 7.333 24.434 ( 1.964 -7.620 -6.042) 9.921 24.702 ( -0.350 2.879 9.199) 9.645 25.092 ( -3.520 -1.639 -9.802) 10.543 26.835 ( 2.952 -2.425 6.237) 7.314 27.046 ( 2.429 -2.081 -2.603) 4.124 28.088 ( -2.134 -2.144 16.572) 16.846 28.662 ( -18.751 -2.156 -10.196) 21.453 33.231 ( 9.988 -3.377 3.543) 11.123 33.552 ( 21.154 -1.721 -12.129) 24.445 ======================= Grid point 504 (149/216) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.732 ( 5.087 -0.705 15.898) 16.707 5.231 ( -5.285 7.574 1.905) 9.430 5.415 ( 6.464 -5.023 5.692) 9.971 5.679 ( 5.918 -1.994 -0.321) 6.253 5.973 ( -0.417 -3.989 0.071) 4.011 6.304 ( -1.385 0.640 -5.522) 5.729 7.071 ( -1.434 -5.081 5.736) 7.796 7.419 ( -5.544 -0.157 -7.467) 9.301 8.133 ( 7.480 -9.694 14.583) 19.041 8.422 ( 0.804 -9.074 5.382) 10.581 9.356 ( 11.097 -5.546 8.924) 15.282 9.939 ( -5.277 -8.557 3.299) 10.581 10.228 ( 26.244 -18.526 18.384) 37.013 10.557 ( 17.068 -11.871 -12.754) 24.391 10.983 ( 7.195 -18.175 -19.956) 27.934 11.575 ( 21.269 -11.581 -25.662) 35.285 12.372 ( -14.457 1.029 15.946) 21.548 12.909 ( -10.605 12.554 6.471) 17.662 13.270 ( -6.639 11.062 -10.952) 16.923 13.573 ( -15.731 16.673 -14.066) 26.894 15.293 ( -7.090 8.025 14.308) 17.871 15.944 ( -6.491 3.096 -17.835) 19.231 18.109 ( 2.872 13.750 14.973) 20.530 18.596 ( -8.188 15.362 -6.720) 18.660 21.050 ( -1.097 -5.172 5.384) 7.546 21.115 ( 0.141 -3.652 1.906) 4.122 24.276 ( 0.970 -5.388 7.321) 9.142 24.518 ( -0.744 -0.144 3.775) 3.851 24.714 ( 3.622 -3.812 -1.911) 5.595 25.061 ( -4.028 1.105 -11.306) 12.053 26.907 ( 2.761 -2.727 7.488) 8.434 27.074 ( 0.049 0.061 0.885) 0.889 28.125 ( 1.198 -2.608 11.606) 11.955 28.537 ( -14.093 -1.769 -7.379) 16.006 33.364 ( 6.898 -2.629 4.589) 8.692 33.741 ( 14.099 -0.590 -13.436) 19.485 ======================= Grid point 505 (150/216) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.792 ( 3.992 -1.075 13.023) 13.663 5.054 ( -4.439 5.454 4.935) 8.591 5.535 ( 2.221 -3.014 2.546) 4.528 5.747 ( 3.021 -0.613 -5.074) 5.937 5.993 ( -1.426 -0.492 4.647) 4.886 6.286 ( -0.599 0.122 -3.180) 3.238 7.158 ( 1.357 -4.334 2.243) 5.065 7.339 ( -3.639 2.981 -4.543) 6.540 8.321 ( 6.193 -4.155 16.163) 17.801 8.482 ( -4.392 -1.671 11.111) 12.064 9.601 ( 17.832 -6.072 7.844) 20.406 9.847 ( -17.944 1.223 4.719) 18.594 10.754 ( 13.354 -12.121 -13.415) 22.477 10.854 ( 8.260 -5.164 -11.271) 14.897 11.334 ( 14.072 -14.331 -5.000) 20.698 11.842 ( -3.802 3.188 -10.842) 11.923 12.255 ( 6.849 -4.668 6.063) 10.269 12.658 ( -14.378 8.148 -5.854) 17.532 13.009 ( -4.156 8.667 -0.724) 9.639 13.296 ( -5.286 4.056 -11.015) 12.873 15.112 ( -4.184 4.770 18.407) 19.470 15.841 ( -3.457 2.140 -15.673) 16.192 18.009 ( 3.731 3.355 8.429) 9.809 18.330 ( -5.459 6.968 -5.672) 10.513 21.104 ( -0.190 -1.898 5.577) 5.895 21.161 ( 0.249 -1.397 2.515) 2.888 24.373 ( 1.169 -4.967 8.933) 10.288 24.465 ( -1.350 3.907 9.220) 10.104 24.847 ( 4.739 -5.797 -9.397) 12.015 24.978 ( -4.466 3.870 -11.576) 12.997 26.971 ( 1.957 -1.857 7.301) 7.783 27.054 ( -1.203 1.003 3.963) 4.261 28.178 ( 1.919 -1.239 7.851) 8.176 28.456 ( -6.157 -0.574 -5.126) 8.032 33.440 ( 2.444 -0.983 5.066) 5.710 33.838 ( 4.892 -0.105 -13.771) 14.615 ======================= Grid point 512 (151/216) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( 23.097 0.000 30.908) 38.585 4.565 ( 11.029 0.000 36.869) 38.483 5.286 ( 3.782 0.000 -17.844) 18.240 5.381 ( 5.836 0.000 -0.254) 5.841 5.733 ( 5.148 0.000 -9.143) 10.493 5.875 ( 6.880 0.000 -17.148) 18.476 7.057 ( -9.986 -0.000 2.214) 10.228 7.312 ( -16.263 -0.000 -6.424) 17.486 7.672 ( 12.158 0.000 23.758) 26.689 7.892 ( 3.930 0.000 -1.788) 4.318 8.673 ( 22.840 0.000 12.401) 25.989 9.135 ( 29.509 0.000 -5.055) 29.938 9.522 ( -3.323 -0.000 23.569) 23.802 9.944 ( -12.592 -0.000 -21.110) 24.580 10.100 ( 5.011 0.000 -9.578) 10.809 10.887 ( 12.775 0.000 -20.590) 24.231 12.991 ( -15.705 -0.000 13.723) 20.856 13.565 ( -9.686 -0.000 1.154) 9.755 13.964 ( -14.708 -0.000 14.312) 20.522 14.623 ( -21.020 -0.000 -12.860) 24.642 15.503 ( 16.055 0.000 -3.943) 16.532 15.947 ( 7.714 0.000 -33.064) 33.952 19.312 ( 0.837 0.000 16.829) 16.850 19.386 ( -2.195 -0.000 12.742) 12.929 20.783 ( -7.572 -0.000 4.607) 8.864 20.957 ( -7.929 -0.000 -4.346) 9.042 24.041 ( 1.223 0.000 0.558) 1.345 24.130 ( 0.972 0.000 -3.972) 4.089 24.869 ( -2.327 -0.000 2.635) 3.515 24.969 ( -3.118 -0.000 -2.147) 3.786 26.771 ( 1.622 0.000 0.733) 1.780 26.862 ( 5.025 0.000 -3.750) 6.270 28.086 ( -5.225 -0.000 21.197) 21.831 28.797 ( -22.509 -0.000 -11.759) 25.396 33.023 ( 9.490 0.000 2.221) 9.746 33.255 ( 31.644 0.000 -10.279) 33.271 ======================= Grid point 513 (152/216) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.498 ( 24.041 -0.756 24.825) 34.566 4.850 ( 13.456 -15.069 29.057) 35.390 5.338 ( 5.861 -2.074 -8.671) 10.670 5.495 ( 6.787 -4.855 -1.961) 8.572 5.754 ( 7.194 3.379 -8.912) 11.941 6.062 ( 9.098 -10.240 -15.454) 20.651 6.984 ( -6.781 -0.876 1.081) 6.922 7.181 ( -9.501 -1.121 -5.265) 10.920 7.794 ( 7.424 0.211 15.404) 17.101 7.924 ( 7.267 -2.209 5.409) 9.325 8.936 ( 25.556 -2.302 19.134) 32.008 9.435 ( 12.391 -4.090 1.142) 13.098 9.576 ( 8.598 -6.628 3.089) 11.287 9.877 ( 0.820 -5.224 -8.741) 10.216 10.206 ( 3.860 -6.171 -10.111) 12.458 11.050 ( 17.552 -2.093 -22.095) 28.296 12.739 ( -17.527 8.241 16.347) 25.344 13.468 ( -17.007 -1.731 4.499) 17.677 13.759 ( -16.482 5.236 3.158) 17.580 14.375 ( -23.784 4.081 -13.857) 27.827 15.608 ( 11.191 3.615 -2.363) 11.995 16.029 ( 8.081 0.217 -28.895) 30.005 19.116 ( -4.184 17.820 18.799) 26.238 19.365 ( -1.735 4.998 7.626) 9.282 20.744 ( -8.110 -5.103 5.324) 10.961 20.907 ( -7.016 -3.634 -2.771) 8.373 24.065 ( 1.411 -1.448 1.141) 2.321 24.190 ( 1.769 -5.432 -5.011) 7.599 24.807 ( -2.816 3.130 4.703) 6.312 24.979 ( -4.069 -4.110 -4.098) 7.088 26.780 ( 0.180 -0.483 4.490) 4.520 26.940 ( 4.363 -3.021 -3.166) 6.179 28.041 ( -4.538 -0.600 17.633) 18.218 28.597 ( -20.073 -1.247 -8.262) 21.742 33.141 ( 11.697 -1.506 5.384) 12.964 33.570 ( 33.653 1.186 -16.665) 37.572 ======================= Grid point 514 (153/216) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.730 ( 20.775 0.031 18.799) 28.018 5.140 ( 5.776 -7.854 12.639) 15.962 5.473 ( 8.877 -2.331 4.804) 10.359 5.640 ( 6.002 -4.332 -3.310) 8.109 5.784 ( 7.674 0.092 -5.125) 9.228 6.273 ( 4.295 -4.857 -10.995) 12.764 6.958 ( -1.660 -1.650 3.575) 4.273 7.222 ( -0.230 -9.098 -7.509) 11.799 7.846 ( 5.355 -2.749 11.656) 13.119 8.120 ( 12.347 -7.511 5.083) 15.320 9.156 ( 5.575 -4.334 14.208) 15.866 9.558 ( 5.753 -8.530 2.489) 10.585 9.848 ( 14.144 -8.798 10.654) 19.773 10.125 ( 11.820 -11.805 -5.576) 17.612 10.433 ( 15.524 -12.238 -12.050) 23.151 11.297 ( 22.828 -4.720 -23.359) 33.001 12.455 ( -15.617 5.819 16.815) 23.674 13.248 ( -23.669 4.574 9.794) 26.021 13.525 ( -13.115 5.273 -10.589) 17.662 14.025 ( -27.327 8.774 -14.650) 32.224 15.596 ( 6.020 7.520 2.732) 10.013 16.072 ( 6.116 3.310 -24.055) 25.040 18.710 ( -9.070 21.650 19.468) 30.496 19.147 ( -7.196 15.566 -0.597) 17.159 20.804 ( -4.329 -8.947 6.979) 12.145 20.954 ( -1.393 -6.478 -0.298) 6.633 24.119 ( 1.353 -3.456 3.019) 4.785 24.326 ( 2.634 -7.921 -6.722) 10.717 24.734 ( -2.235 2.484 7.182) 7.921 25.006 ( -4.505 -3.868 -6.692) 8.947 26.798 ( -2.109 -2.884 8.010) 8.771 27.018 ( 0.971 -2.794 -1.705) 3.414 28.034 ( -1.083 -2.154 13.398) 13.613 28.465 ( -13.021 -1.993 -6.871) 14.857 33.280 ( 10.707 -1.822 7.722) 13.326 33.829 ( 28.617 4.063 -19.448) 34.837 ======================= Grid point 515 (154/216) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.863 ( 15.102 4.615 14.747) 21.606 5.253 ( -0.428 -1.205 6.932) 7.049 5.508 ( 9.134 5.206 1.508) 10.621 5.731 ( 5.519 -0.945 -3.948) 6.852 5.909 ( 6.407 -4.337 3.179) 8.365 6.304 ( -1.360 1.001 -5.946) 6.181 7.020 ( 5.118 -3.411 5.003) 7.928 7.374 ( 3.092 -4.331 -10.313) 11.605 8.029 ( 8.510 -10.941 16.908) 21.864 8.352 ( 10.219 -5.450 4.629) 12.473 9.264 ( -2.322 -10.622 2.663) 11.194 9.787 ( 1.210 -8.082 3.963) 9.082 10.107 ( 6.344 -15.687 7.755) 18.613 10.498 ( 21.566 -13.110 1.528) 25.284 10.840 ( 18.287 -14.387 -12.503) 26.415 11.636 ( 23.822 -7.616 -21.739) 33.137 12.252 ( -14.432 1.944 15.414) 21.205 12.924 ( -19.863 7.121 6.593) 22.107 13.326 ( -11.041 5.030 -12.536) 17.446 13.574 ( -29.089 11.774 -15.063) 34.809 15.487 ( 5.262 11.745 9.137) 15.783 16.035 ( 5.332 7.419 -18.668) 20.783 18.292 ( -11.484 15.318 15.654) 24.730 18.760 ( -12.943 17.862 -5.457) 22.724 20.928 ( -0.781 -8.222 7.790) 11.353 21.069 ( 3.485 -5.468 1.283) 6.610 24.202 ( 1.478 -4.816 5.298) 7.311 24.474 ( 1.986 -5.698 -4.361) 7.446 24.697 ( -0.129 -0.507 4.295) 4.326 25.012 ( -4.679 -1.914 -8.540) 9.924 26.835 ( -4.114 -5.178 9.385) 11.481 27.044 ( -2.869 -1.528 0.840) 3.357 28.088 ( 2.031 -3.354 9.343) 10.133 28.410 ( -4.967 -1.746 -5.790) 7.826 33.392 ( 7.139 -1.131 8.774) 11.368 33.976 ( 20.747 6.741 -19.359) 29.166 ======================= Grid point 516 (155/216) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.889 ( 8.710 5.687 12.999) 16.649 5.156 ( -1.225 7.910 5.840) 9.908 5.565 ( 9.480 0.659 0.982) 9.554 5.774 ( 1.131 0.041 -4.740) 4.873 6.005 ( 6.042 -0.004 4.263) 7.394 6.272 ( -1.848 -0.029 -2.593) 3.184 7.151 ( 9.895 -3.106 3.280) 10.877 7.401 ( 3.780 3.998 -6.997) 8.901 8.302 ( 9.473 -8.796 18.614) 22.663 8.456 ( 4.762 0.329 8.626) 9.859 9.463 ( -6.674 -13.584 1.751) 15.236 9.835 ( 6.174 0.235 5.145) 8.040 10.504 ( 0.115 -23.152 -11.179) 25.710 10.836 ( 7.637 -7.081 -5.115) 11.603 11.242 ( 16.795 -14.229 -0.417) 22.017 11.798 ( -13.713 2.238 -4.943) 14.747 12.191 ( 2.783 -6.197 0.691) 6.829 12.674 ( -9.718 7.240 -8.308) 14.693 13.101 ( -11.420 8.019 -0.630) 13.968 13.235 ( -10.694 1.553 -13.788) 17.518 15.340 ( 11.187 14.007 15.206) 23.506 15.959 ( 8.335 8.366 -13.773) 18.143 18.012 ( -13.738 4.483 8.950) 16.998 18.375 ( -13.866 10.749 -6.796) 18.815 21.040 ( 0.561 -5.073 7.837) 9.353 21.179 ( 5.642 -1.968 1.796) 6.239 24.301 ( 1.651 -5.236 7.506) 9.300 24.506 ( -0.540 1.831 6.962) 7.219 24.781 ( 3.192 -6.678 -8.479) 11.255 24.974 ( -4.869 1.031 -9.412) 10.647 26.884 ( -5.612 -6.100 8.777) 12.073 27.026 ( -4.375 -0.975 3.042) 5.417 28.155 ( 0.863 -2.219 7.775) 8.131 28.434 ( 4.636 -1.641 -5.473) 7.357 33.446 ( 2.092 0.148 8.685) 8.935 34.006 ( 12.185 8.650 -17.865) 23.291 ======================= Grid point 517 (156/216) ======================= q-point: (-0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.832 ( 0.321 5.788 12.845) 14.092 5.090 ( 6.981 2.215 4.628) 8.664 5.600 ( 3.356 3.926 3.606) 6.299 5.754 ( -0.536 1.913 -2.919) 3.531 6.038 ( 4.308 1.626 2.290) 5.143 6.278 ( 0.619 -1.182 -2.873) 3.168 7.266 ( 9.343 3.739 2.247) 10.311 7.381 ( 8.456 1.574 -1.632) 8.755 8.368 ( 0.906 5.168 10.787) 11.996 8.554 ( 10.331 -1.507 13.097) 16.749 9.438 ( -19.755 -1.892 9.269) 21.903 10.015 ( 19.366 -2.918 1.857) 19.672 10.683 ( -15.052 -1.444 -11.186) 18.808 10.819 ( -17.274 3.812 -8.758) 19.739 11.401 ( -8.305 5.121 -9.556) 13.657 11.743 ( -0.063 -11.622 -6.387) 13.262 12.137 ( -20.622 -1.468 1.063) 20.702 12.683 ( 14.077 -6.609 -9.059) 17.998 12.986 ( 1.435 2.878 -0.490) 3.253 13.219 ( 0.005 -4.474 -7.431) 8.674 15.295 ( 21.239 9.285 18.462) 29.634 15.958 ( 15.030 4.670 -11.762) 19.648 17.834 ( -19.991 -2.291 7.821) 21.588 18.223 ( -6.961 -5.296 -8.724) 12.354 21.102 ( 0.952 -1.484 7.333) 7.542 21.232 ( 5.446 2.079 1.781) 6.095 24.400 ( 1.578 -4.303 9.296) 10.365 24.447 ( -0.562 3.597 9.350) 10.033 24.878 ( -4.634 3.198 -8.621) 10.297 24.934 ( 3.089 -5.673 -13.099) 14.605 26.911 ( -6.682 -3.719 7.647) 10.814 27.012 ( -3.585 -2.474 3.176) 5.391 28.172 ( -0.234 0.205 10.082) 10.087 28.544 ( 11.757 -1.542 -7.352) 13.952 33.425 ( -3.334 1.656 7.824) 8.664 33.928 ( 3.963 9.882 -15.861) 19.103 ======================= Grid point 518 (157/216) ======================= q-point: (-0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.760 ( 1.661 3.215 14.606) 15.048 5.182 ( 6.794 -3.900 2.620) 8.260 5.488 ( -4.400 8.400 7.137) 11.868 5.713 ( 2.115 4.123 1.558) 4.889 6.027 ( -0.247 2.569 -1.171) 2.834 6.312 ( 2.896 -0.596 -5.695) 6.417 7.227 ( 8.757 8.280 7.009) 13.942 7.494 ( 11.077 -0.658 0.010) 11.096 8.241 ( -0.519 9.967 6.644) 11.990 8.582 ( 3.057 7.552 2.512) 8.526 9.278 ( -12.734 -0.034 16.447) 20.800 10.078 ( -17.847 12.482 4.520) 22.243 10.317 ( -5.404 11.846 12.317) 17.923 10.509 ( -23.032 7.788 -14.496) 28.307 11.214 ( -5.000 12.568 -26.207) 29.492 11.607 ( -11.132 10.541 -28.650) 32.494 12.363 ( 6.241 -20.970 21.482) 30.662 12.788 ( 0.526 0.767 9.420) 9.465 13.156 ( 9.069 -14.364 -13.430) 21.655 13.351 ( 0.572 -12.801 -13.916) 18.916 15.418 ( 23.724 4.090 16.784) 29.347 16.071 ( 18.819 3.123 -13.963) 23.641 17.766 ( -19.057 -14.221 15.160) 28.199 18.372 ( -1.964 -16.093 -10.964) 19.572 21.110 ( 1.368 1.631 6.121) 6.480 21.216 ( 4.167 5.133 1.590) 6.800 24.356 ( -0.621 5.114 8.765) 10.167 24.498 ( 2.031 -3.777 9.342) 10.279 24.751 ( -4.979 5.437 -6.423) 9.778 25.052 ( 3.088 -4.114 -13.732) 14.664 26.883 ( -5.556 -0.463 7.148) 9.065 27.030 ( -3.551 -3.086 0.620) 4.745 28.157 ( 1.012 1.714 14.490) 14.626 28.693 ( 14.803 -0.814 -10.633) 18.244 33.330 ( -8.065 3.024 6.585) 10.842 33.762 ( -2.940 10.655 -13.628) 17.547 ======================= Grid point 519 (158/216) ======================= q-point: (-0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.750 ( 7.052 4.485 18.358) 20.171 5.244 ( -11.147 5.023 16.945) 20.895 5.324 ( 2.529 -0.431 -1.738) 3.099 5.662 ( 4.713 5.602 0.541) 7.341 5.936 ( -4.913 5.490 -3.170) 8.020 6.334 ( 1.723 1.464 -9.344) 9.614 7.198 ( 11.320 6.524 10.013) 16.461 7.567 ( 6.417 2.969 4.578) 8.423 8.048 ( 0.486 12.068 -3.229) 12.502 8.374 ( -5.068 14.363 -2.719) 15.471 9.123 ( -15.407 12.428 16.840) 25.989 9.547 ( -18.456 8.075 16.152) 25.821 10.020 ( -26.553 10.732 -6.271) 29.319 10.305 ( 6.824 11.925 9.042) 16.448 10.913 ( -2.354 16.521 -33.681) 37.588 11.323 ( -5.036 14.592 -22.498) 27.285 12.592 ( 8.317 1.457 13.712) 16.104 12.991 ( -0.930 -25.913 17.941) 31.532 13.399 ( 6.073 -8.076 -19.648) 22.094 13.722 ( 1.569 -27.101 -13.919) 30.507 15.540 ( 14.533 4.709 12.040) 19.451 16.152 ( 12.537 6.371 -19.081) 23.704 17.971 ( -9.239 -26.289 22.596) 35.875 18.670 ( 0.318 -19.731 -8.928) 21.659 21.080 ( 2.054 3.892 4.399) 6.222 21.154 ( 2.762 5.937 1.033) 6.629 24.263 ( -0.410 5.440 7.155) 8.997 24.531 ( 0.506 4.306 -1.822) 4.703 24.653 ( -2.392 -1.113 6.661) 7.164 25.123 ( 2.339 -1.327 -12.717) 12.999 26.831 ( -3.889 1.155 6.263) 7.462 27.031 ( -3.294 -0.750 -2.674) 4.308 28.142 ( 2.239 1.891 19.075) 19.299 28.848 ( 15.176 -0.386 -14.433) 20.947 33.180 ( -10.819 3.825 5.365) 12.668 33.531 ( -6.923 11.039 -11.080) 17.104 ======================= Grid point 520 (159/216) ======================= q-point: (-0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.643 ( 4.344 17.504 28.742) 33.932 5.071 ( -8.503 0.990 15.721) 17.901 5.330 ( -1.352 1.940 8.193) 8.527 5.603 ( 3.379 8.644 -11.387) 14.690 5.783 ( -4.642 5.168 -4.521) 8.288 6.274 ( -1.007 6.543 -12.781) 14.393 7.223 ( 10.249 3.731 8.722) 13.965 7.515 ( 0.757 5.767 11.358) 12.760 7.898 ( 6.190 9.925 -13.316) 17.724 8.059 ( -6.893 16.005 -1.024) 17.456 8.645 ( -18.876 14.212 24.062) 33.723 9.434 ( -4.964 8.776 -5.369) 11.423 9.671 ( -12.358 -0.362 3.057) 12.735 10.098 ( 1.398 16.888 20.702) 26.753 10.670 ( 3.073 13.907 -37.896) 40.484 11.048 ( -4.288 12.383 -17.537) 21.892 12.663 ( 4.423 -4.453 14.262) 15.582 13.436 ( 3.948 -23.715 17.921) 29.986 13.579 ( 1.739 -8.829 -19.482) 21.460 14.183 ( 2.474 -25.216 -13.056) 28.503 15.525 ( 3.669 7.302 7.309) 10.963 16.102 ( 3.354 8.004 -23.738) 25.275 18.395 ( -1.287 -28.885 24.031) 37.596 18.992 ( 0.561 -17.819 -3.069) 18.090 21.019 ( 1.817 5.618 3.543) 6.886 21.094 ( 1.849 3.587 -0.837) 4.121 24.172 ( -0.209 5.085 5.278) 7.332 24.405 ( -0.883 8.239 -5.796) 10.112 24.708 ( 0.255 -4.477 11.130) 12.000 25.140 ( 1.355 1.365 -10.524) 10.698 26.776 ( -2.099 1.737 4.501) 5.261 26.990 ( -2.140 2.325 -5.087) 5.988 28.139 ( 2.059 1.013 22.534) 22.650 28.987 ( 11.165 -0.572 -18.074) 21.251 33.015 ( -9.326 3.700 4.488) 10.992 33.285 ( -5.998 10.554 -8.169) 14.632 ======================= Grid point 521 (160/216) ======================= q-point: (-0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.340 ( 0.000 17.723 35.474) 39.655 4.917 ( 0.000 15.586 27.950) 32.002 5.314 ( -0.000 -1.892 3.973) 4.400 5.436 ( 0.000 10.437 -17.476) 20.356 5.700 ( 0.000 3.421 -8.759) 9.403 6.109 ( 0.000 11.851 -15.755) 19.714 7.236 ( 0.000 1.492 6.124) 6.303 7.467 ( 0.000 0.256 12.298) 12.300 7.724 ( 0.000 13.321 13.846) 19.213 7.848 ( 0.000 4.927 -22.082) 22.625 8.416 ( 0.000 3.009 18.737) 18.977 9.151 ( 0.000 15.461 -8.024) 17.419 9.747 ( -0.000 -8.477 -1.486) 8.606 9.831 ( 0.000 14.614 27.080) 30.771 10.470 ( 0.000 13.082 -35.015) 37.379 10.860 ( 0.000 7.233 -16.540) 18.052 12.823 ( -0.000 -11.415 15.437) 19.199 13.686 ( -0.000 -3.586 -18.076) 18.428 13.818 ( -0.000 -17.798 22.509) 28.695 14.572 ( -0.000 -19.182 -13.372) 23.383 15.402 ( 0.000 7.918 3.677) 8.730 15.987 ( 0.000 6.722 -29.138) 29.903 18.836 ( -0.000 -23.785 22.117) 32.478 19.246 ( -0.000 -12.111 3.651) 12.649 20.941 ( 0.000 4.675 3.793) 6.020 21.064 ( 0.000 1.623 -3.088) 3.488 24.095 ( 0.000 3.970 3.369) 5.206 24.268 ( 0.000 7.524 -4.889) 8.973 24.784 ( -0.000 -4.305 8.819) 9.814 25.106 ( 0.000 3.376 -7.602) 8.318 26.741 ( 0.000 1.080 2.127) 2.385 26.922 ( 0.000 4.290 -5.883) 7.281 28.142 ( 0.000 0.116 24.104) 24.104 29.056 ( -0.000 -0.558 -19.791) 19.798 32.912 ( 0.000 2.308 3.298) 4.025 33.094 ( 0.000 8.336 -5.331) 9.894 ======================= Grid point 524 (161/216) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.789 ( 27.836 0.000 15.379) 31.801 4.821 ( 13.305 0.000 30.798) 33.549 5.386 ( 7.356 0.000 -7.259) 10.334 5.541 ( 11.420 0.000 2.690) 11.732 5.902 ( 12.434 0.000 -9.560) 15.685 6.047 ( 10.151 0.000 -15.533) 18.556 6.934 ( -1.789 -0.000 -0.210) 1.801 7.105 ( -4.433 -0.000 -5.733) 7.247 7.926 ( 15.813 0.000 14.662) 21.564 7.934 ( 1.629 0.000 6.982) 7.170 9.095 ( 10.348 0.000 21.443) 23.810 9.444 ( -12.045 -0.000 -7.962) 14.438 9.608 ( 18.656 0.000 3.337) 18.952 9.941 ( 24.310 0.000 -17.511) 29.960 10.231 ( 10.527 0.000 7.929) 13.179 11.229 ( 22.914 0.000 -22.680) 32.241 12.623 ( -20.727 -0.000 17.005) 26.810 13.243 ( -25.014 -0.000 17.251) 30.386 13.636 ( -16.848 -0.000 -9.702) 19.442 14.161 ( -27.313 -0.000 -15.678) 31.492 15.722 ( 4.965 0.000 -3.069) 5.837 16.126 ( 9.934 0.000 -28.489) 30.171 19.320 ( -4.548 -0.000 13.685) 14.421 19.321 ( -0.320 -0.000 14.183) 14.187 20.602 ( -10.222 -0.000 5.869) 11.787 20.788 ( -8.384 -0.000 -3.103) 8.940 24.077 ( 2.605 0.000 -0.516) 2.656 24.154 ( 1.564 0.000 -4.646) 4.902 24.810 ( -3.642 -0.000 2.035) 4.172 24.890 ( -4.937 -0.000 -1.721) 5.229 26.751 ( -5.013 -0.000 8.667) 10.013 26.954 ( 3.246 0.000 -1.959) 3.791 28.001 ( -2.092 -0.000 13.947) 14.103 28.429 ( -11.952 -0.000 -6.641) 13.673 33.252 ( 13.238 0.000 9.696) 16.409 33.911 ( 33.222 0.000 -23.464) 40.672 ======================= Grid point 525 (162/216) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.963 ( 20.123 -0.749 18.103) 27.078 5.071 ( 10.133 -6.296 15.006) 19.170 5.484 ( 6.719 -2.619 1.269) 7.323 5.679 ( 13.779 -1.265 3.227) 14.208 5.962 ( 14.511 5.590 -9.942) 18.457 6.233 ( 8.003 -6.387 -11.500) 15.398 6.951 ( 4.310 -0.660 0.920) 4.456 7.128 ( 4.008 -4.553 -5.681) 8.310 7.912 ( 5.988 2.893 11.996) 13.716 8.158 ( 18.234 -5.281 4.508) 19.511 9.095 ( -8.844 0.951 8.588) 12.364 9.389 ( -9.649 -10.739 -3.705) 14.905 9.854 ( 14.051 -4.730 1.363) 14.889 10.210 ( 26.718 -2.519 -3.446) 27.056 10.453 ( 23.192 -7.596 8.002) 25.682 11.482 ( 25.928 -1.994 -22.311) 34.265 12.385 ( -17.608 4.795 17.931) 25.584 12.994 ( -30.515 -2.044 20.076) 36.584 13.460 ( -13.979 2.968 -17.697) 22.747 13.850 ( -30.490 4.217 -17.120) 35.221 15.709 ( -1.894 2.535 0.636) 3.228 16.202 ( 9.370 2.096 -27.154) 28.802 18.993 ( -8.190 22.807 18.454) 30.459 19.306 ( -4.661 8.930 4.067) 10.864 20.591 ( -6.970 -9.348 8.660) 14.525 20.802 ( -3.361 -8.654 -1.475) 9.400 24.102 ( 2.465 -0.565 0.222) 2.539 24.232 ( 2.581 -6.220 -6.152) 9.121 24.744 ( -3.659 2.280 3.982) 5.868 24.889 ( -5.128 -4.352 -3.497) 7.581 26.701 ( -8.483 -2.233 12.682) 15.420 26.983 ( -0.660 -1.485 -1.056) 1.937 28.009 ( 2.129 -1.129 10.482) 10.756 28.366 ( -3.173 -0.718 -7.066) 7.779 33.377 ( 12.164 -0.019 12.827) 17.677 34.175 ( 27.680 3.877 -26.305) 38.382 ======================= Grid point 526 (163/216) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.122 ( 16.766 4.843 11.427) 20.859 5.227 ( 5.036 -3.569 12.345) 13.802 5.574 ( 0.763 -4.234 4.692) 6.366 5.791 ( 9.464 2.273 -0.205) 9.736 6.030 ( 16.180 4.057 -4.421) 17.257 6.318 ( 1.294 1.143 -6.502) 6.727 7.053 ( 11.804 -2.464 3.704) 12.614 7.328 ( 10.408 -8.805 -8.625) 16.132 7.995 ( 10.647 -3.799 17.093) 20.493 8.422 ( 19.226 -3.295 -0.372) 19.510 9.027 ( -11.178 -7.797 -0.903) 13.659 9.565 ( -5.474 -17.416 -7.983) 19.925 9.975 ( 2.285 -3.275 12.757) 13.368 10.548 ( 20.956 -7.560 -0.719) 22.290 10.844 ( 24.978 -9.610 4.433) 27.127 11.747 ( 14.798 -2.719 -17.296) 22.924 12.170 ( -11.003 3.287 14.682) 18.639 12.766 ( -20.315 -2.180 13.944) 24.736 13.268 ( -14.996 4.659 -16.706) 22.928 13.461 ( -26.554 7.191 -19.029) 33.451 15.631 ( -3.698 2.719 6.631) 8.065 16.238 ( 11.206 5.298 -23.660) 26.710 18.478 ( -14.221 24.220 18.184) 33.459 18.961 ( -11.718 20.918 -4.350) 24.368 20.749 ( -1.372 -12.700 11.077) 16.908 20.971 ( 2.755 -10.606 0.439) 10.967 24.153 ( 2.246 -2.920 2.494) 4.448 24.383 ( 3.188 -7.861 -7.551) 11.356 24.685 ( -2.822 0.695 5.330) 6.071 24.913 ( -4.982 -4.152 -5.715) 8.644 26.674 ( -9.862 -5.289 13.891) 17.838 26.983 ( -4.305 -1.369 0.039) 4.518 28.074 ( 4.987 -2.094 7.943) 9.610 28.382 ( 3.132 -1.083 -7.039) 7.780 33.471 ( 8.846 1.137 14.304) 16.857 34.307 ( 20.478 8.089 -25.865) 33.968 ======================= Grid point 527 (164/216) ======================= q-point: ( 0.45 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.126 ( 10.262 10.514 11.334) 18.556 5.246 ( 1.074 3.433 8.880) 9.581 5.653 ( 2.029 -3.171 3.667) 5.256 5.810 ( 6.570 3.680 -2.687) 7.996 6.109 ( 10.236 2.874 -0.307) 10.636 6.277 ( 0.389 2.541 -2.704) 3.730 7.239 ( 17.231 -2.267 3.781) 17.786 7.520 ( 11.987 0.056 -8.933) 14.949 8.239 ( 13.605 -10.584 22.910) 28.670 8.578 ( 13.244 2.792 3.537) 13.989 9.150 ( -7.391 -13.500 -4.943) 16.165 9.804 ( 0.241 -13.891 -14.460) 20.053 10.132 ( 2.000 -15.965 14.345) 21.556 10.767 ( -0.375 -5.001 -0.946) 5.103 11.188 ( 12.279 -9.199 1.231) 15.392 11.679 ( -21.229 4.305 1.085) 21.688 12.124 ( -4.680 -1.018 -4.351) 6.471 12.690 ( -4.298 1.763 -9.691) 10.747 13.027 ( -9.846 0.559 -1.713) 10.009 13.243 ( -1.381 3.869 -14.546) 15.115 15.580 ( 2.760 1.950 13.320) 13.742 16.245 ( 16.817 9.879 -15.796) 25.098 17.986 ( -19.144 14.517 11.918) 26.819 18.466 ( -17.305 20.029 -8.768) 27.884 20.937 ( 1.452 -9.287 11.454) 14.817 21.165 ( 5.717 -7.106 1.177) 9.196 24.237 ( 2.161 -4.499 5.080) 7.122 24.506 ( 1.261 -2.485 0.790) 2.897 24.696 ( 0.037 -5.097 -3.794) 6.354 24.920 ( -4.720 -1.967 -7.153) 8.793 26.688 ( -9.796 -7.691 12.623) 17.733 26.954 ( -5.664 -1.314 1.172) 5.931 28.152 ( 4.679 -1.179 7.587) 8.991 28.463 ( 7.725 -2.479 -7.101) 10.782 33.502 ( 4.277 2.852 14.342) 15.235 34.304 ( 13.254 11.529 -23.722) 29.518 ======================= Grid point 528 (165/216) ======================= q-point: ( 0.55 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.987 ( 1.941 11.304 11.948) 16.562 5.209 ( 5.377 4.006 4.846) 8.273 5.679 ( -1.045 1.528 6.443) 6.703 5.817 ( 7.047 3.009 -2.490) 8.057 6.105 ( 0.434 2.953 1.021) 3.154 6.290 ( 5.620 0.065 -2.863) 6.308 7.419 ( 14.380 0.335 4.022) 14.935 7.582 ( 17.400 7.285 -1.382) 18.914 8.494 ( 12.615 -0.126 10.799) 16.606 8.660 ( 15.261 1.113 10.792) 18.724 9.186 ( -17.588 -5.509 3.622) 18.783 10.064 ( 9.013 -9.886 -6.788) 15.001 10.450 ( -1.960 -15.854 -4.291) 16.541 10.655 ( -26.506 2.344 1.608) 26.658 11.317 ( -13.253 -2.235 1.226) 13.496 11.515 ( -3.509 -9.741 -5.939) 11.936 11.922 ( -25.189 3.253 -9.580) 27.144 12.665 ( 0.645 -4.150 -24.686) 25.041 13.069 ( 6.717 2.297 5.173) 8.783 13.259 ( 12.363 1.244 -3.218) 12.836 15.649 ( 19.218 2.262 19.115) 27.200 16.249 ( 20.597 10.414 -4.471) 23.509 17.638 ( -22.388 5.407 3.537) 23.302 18.058 ( -19.847 3.988 -12.679) 23.887 21.072 ( 2.363 -4.694 10.792) 12.004 21.295 ( 5.739 -1.726 1.154) 6.103 24.337 ( 2.020 -5.021 7.601) 9.331 24.496 ( -0.531 2.577 9.005) 9.381 24.830 ( 1.600 -7.450 -12.417) 14.568 24.885 ( -3.882 0.426 -8.446) 9.305 26.734 ( -8.384 -8.167 10.062) 15.434 26.928 ( -5.193 -2.010 1.806) 5.854 28.195 ( 3.419 0.627 10.293) 10.864 28.605 ( 10.064 -3.954 -8.883) 13.994 33.458 ( -0.434 4.636 13.399) 14.185 34.187 ( 6.737 13.980 -20.931) 26.057 ======================= Grid point 529 (166/216) ======================= q-point: (-0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.850 ( 1.494 6.195 12.803) 14.301 5.224 ( 5.829 0.651 0.785) 5.917 5.581 ( -4.030 7.103 10.470) 13.278 5.832 ( 7.068 3.983 1.212) 8.203 6.050 ( -3.118 2.075 0.381) 3.765 6.347 ( 5.247 -0.014 -5.795) 7.817 7.474 ( 10.173 5.732 9.671) 15.162 7.652 ( 18.960 7.051 6.702) 21.310 8.486 ( 10.795 12.356 -4.937) 17.134 8.717 ( 1.154 7.142 -3.242) 7.928 9.132 ( -5.465 -6.257 25.270) 26.600 10.030 ( -26.778 9.101 6.346) 28.986 10.293 ( -29.774 6.055 -6.957) 31.169 10.572 ( 13.977 2.213 -4.579) 14.874 11.221 ( -13.862 -0.698 -23.111) 26.959 11.673 ( 0.161 1.876 -30.564) 30.622 11.869 ( -9.572 -28.507 23.444) 38.130 12.837 ( -0.273 -16.189 -19.478) 25.329 12.991 ( 2.129 10.256 7.363) 12.803 13.350 ( 9.377 2.092 -6.757) 11.746 15.811 ( 29.392 9.965 19.541) 36.675 16.345 ( 22.508 2.328 -0.963) 22.649 17.352 ( -28.415 -3.263 7.505) 29.570 18.024 ( -12.580 -17.010 -17.411) 27.400 21.138 ( 2.204 -0.746 9.080) 9.374 21.330 ( 4.157 3.082 1.005) 5.271 24.424 ( 0.487 1.414 9.862) 9.975 24.448 ( 0.842 -2.149 9.545) 9.820 24.790 ( -3.854 4.223 -6.941) 8.992 24.985 ( 1.929 -6.787 -15.388) 16.929 26.783 ( -5.595 -5.415 7.665) 10.926 26.928 ( -4.087 -3.576 1.118) 5.544 28.203 ( 2.532 1.664 14.688) 14.997 28.771 ( 9.883 -4.219 -12.112) 16.192 33.346 ( -3.992 6.117 11.931) 13.990 33.982 ( 1.640 15.407 -17.910) 23.682 ======================= Grid point 530 (167/216) ======================= q-point: (-0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( 3.630 -0.755 13.284) 13.792 5.282 ( 3.976 0.557 3.850) 5.563 5.373 ( -6.054 10.456 11.582) 16.737 5.819 ( 6.955 5.363 4.753) 9.986 5.963 ( -5.502 4.069 -2.769) 7.382 6.378 ( 2.551 1.038 -8.947) 9.362 7.471 ( 14.350 8.778 15.305) 22.742 7.645 ( 0.918 6.074 15.700) 16.859 8.337 ( 8.351 14.663 -16.020) 23.268 8.505 ( -8.188 11.462 -12.297) 18.698 9.233 ( 7.760 2.852 22.427) 23.902 9.513 ( -23.735 13.387 18.583) 32.983 9.912 ( -23.552 7.523 -8.065) 26.007 10.603 ( 11.517 11.654 7.772) 18.134 11.052 ( -8.312 6.250 -40.038) 41.367 11.563 ( 1.533 13.083 -25.083) 28.331 12.385 ( -1.537 -35.821 23.198) 42.705 12.801 ( 0.975 10.506 11.416) 15.545 13.225 ( -0.686 -27.984 -16.549) 32.518 13.390 ( 2.762 -1.383 -15.576) 15.880 15.827 ( 13.998 12.417 15.134) 24.066 16.457 ( 17.165 12.783 -15.262) 26.286 17.376 ( -17.459 -29.436 25.098) 42.441 18.296 ( -3.711 -23.152 -15.834) 28.293 21.144 ( 1.370 1.911 6.497) 6.909 21.282 ( 2.034 6.033 0.906) 6.431 24.349 ( -0.190 5.154 8.685) 10.101 24.537 ( 1.699 -4.548 10.857) 11.893 24.671 ( -2.883 6.045 -5.874) 8.908 25.093 ( 1.123 -4.308 -15.007) 15.653 26.799 ( -2.518 -1.407 6.483) 7.096 26.962 ( -2.363 -3.777 -1.258) 4.629 28.192 ( 1.518 1.938 19.007) 19.165 28.921 ( 7.023 -3.705 -15.809) 17.691 33.193 ( -4.599 6.866 10.243) 13.161 33.724 ( -0.993 15.592 -14.726) 21.469 ======================= Grid point 531 (168/216) ======================= q-point: (-0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.927 ( -0.000 -6.565 12.309) 13.950 5.026 ( 0.000 20.592 25.929) 33.111 5.352 ( -0.000 -0.703 1.704) 1.843 5.801 ( 0.000 3.207 6.276) 7.048 5.802 ( 0.000 9.364 -10.972) 14.425 6.354 ( 0.000 3.375 -11.314) 11.807 7.398 ( 0.000 10.026 12.581) 16.087 7.557 ( 0.000 1.707 19.903) 19.976 8.167 ( 0.000 15.223 -23.604) 28.087 8.242 ( 0.000 11.397 -9.906) 15.100 8.895 ( 0.000 25.439 25.122) 35.753 9.488 ( -0.000 -7.443 18.848) 20.264 9.626 ( 0.000 11.685 -10.690) 15.837 10.404 ( 0.000 17.314 16.904) 24.197 10.882 ( 0.000 10.387 -44.773) 45.962 11.293 ( 0.000 18.054 -17.487) 25.134 12.677 ( 0.000 3.819 12.039) 12.630 12.965 ( -0.000 -33.073 22.225) 39.847 13.463 ( -0.000 -6.401 -22.587) 23.477 13.722 ( -0.000 -30.306 -13.661) 33.243 15.701 ( 0.000 10.195 10.794) 14.848 16.299 ( 0.000 12.721 -20.403) 24.044 17.859 ( -0.000 -33.845 27.137) 43.381 18.662 ( -0.000 -21.994 -9.744) 24.055 21.105 ( 0.000 3.595 4.018) 5.391 21.185 ( 0.000 6.267 0.558) 6.292 24.259 ( 0.000 5.446 7.090) 8.940 24.536 ( 0.000 7.840 -6.275) 10.042 24.630 ( -0.000 -4.963 12.318) 13.280 25.146 ( -0.000 -1.450 -13.230) 13.309 26.790 ( 0.000 0.903 5.657) 5.729 26.992 ( -0.000 -0.943 -3.786) 3.902 28.170 ( 0.000 1.584 21.929) 21.986 29.011 ( -0.000 -2.565 -18.568) 18.745 33.056 ( 0.000 6.209 8.102) 10.207 33.468 ( 0.000 14.109 -11.366) 18.118 ======================= Grid point 536 (169/216) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.023 ( 8.430 0.000 22.603) 24.124 5.189 ( 13.304 0.000 7.838) 15.442 5.559 ( 9.069 0.000 4.866) 10.292 5.794 ( 11.475 0.000 1.019) 11.520 6.184 ( 15.489 0.000 -7.920) 17.396 6.259 ( 12.704 0.000 -9.921) 16.119 7.023 ( 11.809 0.000 -1.275) 11.878 7.144 ( 7.649 0.000 -3.723) 8.507 7.995 ( 5.760 0.000 14.605) 15.700 8.330 ( 27.011 0.000 -0.071) 27.011 9.078 ( -6.844 -0.000 3.943) 7.899 9.084 ( -19.353 -0.000 -12.908) 23.263 9.932 ( 6.956 0.000 8.848) 11.255 10.426 ( 21.305 0.000 -12.978) 24.947 10.669 ( 33.507 0.000 22.924) 40.598 11.699 ( 20.496 0.000 -20.208) 28.783 12.279 ( -12.365 -0.000 18.295) 22.081 12.666 ( -30.293 -0.000 22.051) 37.468 13.363 ( -11.005 -0.000 -19.785) 22.640 13.586 ( -31.737 -0.000 -18.623) 36.798 15.653 ( -12.432 -0.000 3.335) 12.871 16.299 ( 7.662 0.000 -30.999) 31.932 19.228 ( -4.559 -0.000 13.955) 14.681 19.286 ( -3.471 -0.000 11.094) 11.624 20.426 ( -7.539 -0.000 9.208) 11.900 20.667 ( -4.079 -0.000 -2.410) 4.738 24.141 ( 4.081 0.000 -2.312) 4.690 24.188 ( 1.910 0.000 -5.261) 5.597 24.736 ( -3.928 -0.000 1.523) 4.213 24.788 ( -5.569 -0.000 -0.856) 5.634 26.584 ( -10.971 -0.000 16.967) 20.205 26.955 ( -2.879 -0.000 -0.924) 3.024 28.039 ( 5.640 0.000 8.082) 9.855 28.366 ( 3.621 0.000 -8.472) 9.213 33.495 ( 11.526 0.000 16.653) 20.252 34.454 ( 22.849 0.000 -29.836) 37.580 ======================= Grid point 537 (170/216) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.167 ( 7.179 -6.283 18.475) 20.793 5.306 ( 9.417 -1.695 9.037) 13.161 5.593 ( 5.056 4.163 6.490) 9.220 5.879 ( 4.770 -0.284 -1.123) 4.909 6.278 ( 15.772 4.761 -5.585) 17.396 6.378 ( 7.345 1.415 -5.340) 9.190 7.166 ( 17.245 -0.574 0.265) 17.257 7.302 ( 12.745 -7.433 -4.948) 15.562 8.071 ( 10.588 -0.926 17.438) 20.421 8.617 ( 26.751 0.116 -6.516) 27.533 8.859 ( -7.850 0.126 -6.835) 10.409 9.194 ( -10.612 -15.974 -13.253) 23.311 9.973 ( 1.681 -0.819 22.226) 22.305 10.622 ( 12.614 -2.729 -9.631) 16.103 10.990 ( 23.832 -2.739 15.246) 28.424 11.781 ( -7.751 1.560 -8.167) 11.367 12.166 ( -1.723 3.636 12.224) 12.870 12.524 ( -9.178 -7.653 12.018) 16.948 13.206 ( -18.674 6.333 -15.995) 25.390 13.318 ( -12.506 -0.144 -19.707) 23.341 15.516 ( -17.979 -2.532 9.030) 20.278 16.370 ( 7.787 -0.423 -33.026) 33.935 18.830 ( -8.199 29.495 18.296) 35.664 19.192 ( -6.631 14.929 0.825) 16.356 20.493 ( -3.305 -13.978 13.104) 19.443 20.776 ( 0.166 -13.547 -1.011) 13.586 24.157 ( 3.113 0.403 -1.133) 3.337 24.289 ( 3.339 -6.919 -7.296) 10.595 24.670 ( -3.989 1.615 3.560) 5.585 24.790 ( -4.960 -4.643 -2.575) 7.265 26.503 ( -10.565 -2.852 18.422) 21.427 26.924 ( -4.568 -0.494 -0.912) 4.684 28.110 ( 7.239 -0.938 6.566) 9.819 28.420 ( 6.532 -0.282 -8.868) 11.017 33.583 ( 8.951 1.536 18.665) 20.757 34.602 ( 16.875 5.239 -30.105) 34.907 ======================= Grid point 538 (171/216) ======================= q-point: ( 0.45 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.284 ( 5.091 -0.020 12.695) 13.678 5.396 ( 8.029 5.836 7.646) 12.529 5.568 ( -0.774 -2.594 10.343) 10.691 5.901 ( 1.621 0.785 -1.543) 2.372 6.302 ( 8.457 8.494 -3.087) 12.377 6.365 ( 5.414 4.044 -2.934) 7.367 7.384 ( 19.992 -2.942 1.619) 20.272 7.586 ( 16.131 -8.591 -5.741) 19.157 8.223 ( 8.824 -6.255 20.668) 23.327 8.729 ( 9.198 0.269 -3.677) 9.909 9.026 ( 18.880 -3.486 -9.321) 21.342 9.401 ( -8.973 -22.397 -22.730) 33.148 10.032 ( 2.981 -4.733 30.396) 30.907 10.678 ( -10.289 0.231 0.959) 10.336 11.176 ( 6.227 -2.901 2.370) 7.267 11.552 ( -19.203 4.402 0.653) 19.712 12.064 ( -14.472 4.871 -4.076) 15.804 12.618 ( -5.556 -4.689 -13.088) 14.972 13.022 ( 7.269 0.438 -0.195) 7.285 13.304 ( 6.986 0.273 -11.350) 13.331 15.439 ( -15.726 -9.199 16.698) 24.713 16.484 ( 13.648 -1.309 -30.734) 33.654 18.204 ( -13.651 31.434 18.051) 38.733 18.730 ( -11.308 27.625 -6.694) 30.591 20.742 ( 0.318 -15.520 14.711) 21.387 21.036 ( 3.441 -13.947 0.468) 14.372 24.201 ( 2.590 -2.383 1.579) 3.858 24.446 ( 3.348 -7.093 -7.005) 10.516 24.627 ( -3.238 -1.240 2.827) 4.473 24.823 ( -4.184 -4.308 -4.677) 7.611 26.479 ( -9.147 -5.718 17.417) 20.487 26.887 ( -4.848 -0.603 -0.640) 4.927 28.194 ( 6.533 -0.746 6.204) 9.040 28.499 ( 7.154 -1.587 -8.447) 11.183 33.608 ( 5.326 3.839 19.034) 20.134 34.607 ( 11.088 10.167 -28.337) 32.083 ======================= Grid point 539 (172/216) ======================= q-point: ( 0.55 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.218 ( 1.646 13.130 9.693) 16.403 5.323 ( 4.758 4.676 6.442) 9.274 5.640 ( -1.500 -3.842 10.744) 11.509 5.905 ( 1.997 0.298 -1.434) 2.476 6.189 ( 0.486 8.147 0.552) 8.180 6.378 ( 6.690 2.463 -3.787) 8.072 7.559 ( 11.682 1.645 2.169) 11.995 7.867 ( 24.648 -1.501 -2.264) 24.797 8.486 ( 6.930 -15.870 22.276) 28.216 8.819 ( 8.943 2.706 -0.910) 9.388 9.125 ( 11.649 7.116 -5.721) 14.800 9.802 ( 1.751 -24.974 -21.965) 33.305 10.197 ( 0.743 -13.236 19.641) 23.696 10.411 ( -33.109 3.147 8.174) 34.248 11.182 ( -9.666 1.984 3.960) 10.632 11.398 ( -4.809 -0.130 -8.214) 9.519 11.755 ( -22.442 3.835 -12.113) 25.789 12.582 ( -7.033 -1.787 -31.216) 32.048 13.203 ( 15.976 0.345 8.169) 17.947 13.415 ( 15.050 0.422 -3.178) 15.388 15.570 ( -3.116 -18.897 25.116) 31.586 16.656 ( 24.779 5.177 -16.955) 30.468 17.604 ( -20.306 18.156 7.459) 28.243 18.131 ( -15.925 27.607 -11.438) 33.861 20.970 ( 1.577 -10.447 14.171) 17.676 21.261 ( 3.831 -8.419 0.885) 9.292 24.279 ( 1.965 -4.174 4.543) 6.475 24.518 ( 0.017 0.424 7.412) 7.424 24.701 ( 0.492 -8.922 -12.196) 15.119 24.841 ( -3.283 -1.831 -6.102) 7.167 26.517 ( -6.877 -8.177 14.664) 18.144 26.857 ( -3.862 -1.088 -0.069) 4.013 28.247 ( 4.334 0.784 8.053) 9.178 28.613 ( 6.521 -4.186 -9.028) 11.898 33.558 ( 1.729 6.162 18.171) 19.265 34.486 ( 5.982 14.033 -25.585) 29.788 ======================= Grid point 540 (173/216) ======================= q-point: (-0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.007 ( 0.539 11.810 10.795) 16.009 5.296 ( 2.830 2.948 1.072) 4.224 5.633 ( -1.978 2.543 12.657) 13.060 5.933 ( 3.630 -0.098 -1.589) 3.963 6.068 ( -2.191 5.477 3.398) 6.808 6.400 ( 3.611 0.999 -5.206) 6.414 7.585 ( 3.807 2.577 9.806) 10.830 8.076 ( 29.856 9.879 4.274) 31.737 8.634 ( -17.595 3.794 -6.979) 19.305 8.842 ( 9.577 -3.710 14.037) 17.393 9.145 ( 20.336 7.957 7.717) 23.161 9.902 ( -18.700 2.915 4.063) 19.357 10.078 ( -26.350 2.191 -4.912) 26.893 10.570 ( 8.449 -23.482 -17.062) 30.231 11.063 ( -5.633 2.065 1.270) 6.133 11.379 ( -12.579 -13.769 17.181) 25.357 11.671 ( -0.356 -3.310 -28.293) 28.488 12.595 ( -4.095 -7.620 -31.692) 32.851 13.219 ( 5.226 9.439 9.587) 14.433 13.501 ( 8.338 4.285 -3.922) 10.162 16.006 ( 14.752 -25.431 29.686) 41.781 16.606 ( 10.116 23.177 16.622) 30.263 17.331 ( -1.871 11.795 -15.499) 19.567 17.628 ( -23.315 -2.293 -21.312) 31.671 21.111 ( 1.271 -4.983 12.385) 13.411 21.376 ( 2.302 -1.862 0.819) 3.072 24.371 ( 1.148 -4.952 7.509) 9.068 24.486 ( -0.429 2.688 10.250) 10.606 24.812 ( -1.646 1.438 -6.542) 6.897 24.867 ( 0.544 -8.761 -15.903) 18.164 26.612 ( -3.579 -8.950 10.872) 14.529 26.853 ( -2.152 -1.962 0.557) 2.965 28.255 ( 2.010 1.770 11.971) 12.267 28.752 ( 4.321 -5.838 -11.310) 13.441 33.445 ( -0.564 7.887 16.425) 18.229 34.269 ( 2.019 16.485 -22.338) 27.836 ======================= Grid point 541 (174/216) ======================= q-point: (-0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.869 ( 0.000 4.978 12.072) 13.058 5.288 ( -0.000 -0.279 -3.373) 3.384 5.527 ( 0.000 8.797 16.232) 18.463 5.954 ( 0.000 5.592 7.795) 9.594 5.965 ( 0.000 0.619 -4.497) 4.539 6.406 ( 0.000 0.639 -7.254) 7.282 7.575 ( 0.000 0.819 17.087) 17.107 7.960 ( 0.000 22.398 16.846) 28.026 8.450 ( 0.000 2.128 -15.516) 15.661 8.788 ( 0.000 17.636 -17.686) 24.976 9.245 ( -0.000 -6.035 31.242) 31.820 9.627 ( 0.000 14.864 8.330) 17.039 9.877 ( 0.000 3.890 -5.008) 6.341 10.877 ( 0.000 11.461 7.618) 13.762 10.957 ( -0.000 -11.021 -40.431) 41.906 11.702 ( 0.000 2.156 -30.418) 30.494 11.762 ( -0.000 -35.022 25.552) 43.352 12.800 ( -0.000 -20.138 -23.944) 31.287 13.031 ( 0.000 14.583 11.550) 18.603 13.450 ( 0.000 5.077 -8.476) 9.880 16.193 ( 0.000 22.305 18.979) 29.287 16.681 ( -0.000 -36.442 31.705) 48.304 16.909 ( 0.000 25.379 -16.702) 30.382 17.865 ( -0.000 -25.233 -23.539) 34.508 21.163 ( -0.000 -0.729 9.599) 9.627 21.373 ( 0.000 3.283 0.770) 3.372 24.426 ( 0.000 4.201 9.874) 10.731 24.461 ( -0.000 -5.194 10.101) 11.358 24.750 ( 0.000 4.635 -6.531) 8.009 25.004 ( -0.000 -6.994 -16.254) 17.695 26.726 ( -0.000 -6.162 7.602) 9.786 26.886 ( -0.000 -3.422 0.436) 3.449 28.232 ( 0.000 1.995 16.208) 16.330 28.872 ( -0.000 -5.689 -14.155) 15.255 33.303 ( 0.000 8.360 13.896) 16.217 33.996 ( 0.000 17.156 -18.708) 25.383 ======================= Grid point 548 (175/216) ======================= q-point: ( 0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.181 ( 8.263 0.000 22.923) 24.367 5.356 ( 5.433 0.000 9.707) 11.124 5.690 ( 4.433 0.000 3.802) 5.840 5.898 ( 0.748 0.000 -2.456) 2.568 6.426 ( 8.965 0.000 -2.275) 9.249 6.497 ( 10.035 0.000 -3.604) 10.662 7.308 ( 6.684 0.000 3.160) 7.393 7.384 ( 24.474 0.000 -7.495) 25.596 8.136 ( 4.315 0.000 11.521) 12.302 8.836 ( -3.585 -0.000 -14.933) 15.358 8.888 ( 6.155 0.000 -10.215) 11.926 8.985 ( 24.377 0.000 -9.578) 26.191 9.967 ( -0.836 -0.000 32.519) 32.530 10.680 ( 0.997 0.000 -7.895) 7.957 11.145 ( 11.143 0.000 10.014) 14.981 11.645 ( -20.784 -0.000 -0.928) 20.805 12.218 ( -1.352 -0.000 14.532) 14.595 12.396 ( -1.683 -0.000 -6.025) 6.256 13.094 ( -9.109 -0.000 -12.608) 15.554 13.290 ( 5.327 0.000 -11.955) 13.088 15.265 ( -26.893 -0.000 13.965) 30.303 16.409 ( 3.842 0.000 -40.762) 40.942 19.158 ( -2.598 -0.000 13.375) 13.625 19.197 ( -5.267 -0.000 10.304) 11.572 20.323 ( -3.375 -0.000 12.858) 13.294 20.623 ( -0.985 -0.000 -2.346) 2.544 24.225 ( 1.857 0.000 -5.688) 5.983 24.229 ( 4.824 0.000 -4.975) 6.930 24.665 ( -3.238 -0.000 1.319) 3.497 24.682 ( -5.285 -0.000 0.812) 5.347 26.387 ( -8.607 -0.000 20.613) 22.338 26.878 ( -4.205 -0.000 -1.614) 4.504 28.173 ( 7.086 0.000 5.789) 9.150 28.485 ( 6.974 0.000 -9.950) 12.150 33.677 ( 7.259 0.000 21.220) 22.427 34.786 ( 12.166 0.000 -31.599) 33.860 ======================= Grid point 549 (176/216) ======================= q-point: ( 0.45 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.308 ( 7.100 -4.437 20.377) 22.030 5.412 ( 2.574 -2.602 11.845) 12.398 5.665 ( 2.226 6.739 3.438) 7.886 5.900 ( -0.943 -0.327 -2.010) 2.244 6.461 ( 3.503 4.321 -0.621) 5.597 6.523 ( 7.122 5.551 -2.319) 9.323 7.430 ( 7.650 -8.699 8.872) 14.591 7.653 ( 22.265 -2.562 -8.816) 24.084 8.161 ( -2.684 -3.486 -1.102) 4.535 8.767 ( -6.454 -6.158 -17.750) 19.866 9.099 ( 18.006 -6.132 -6.144) 19.989 9.292 ( 30.875 -0.309 -3.235) 31.046 9.976 ( -1.500 -2.762 33.552) 33.699 10.550 ( -25.082 3.657 3.992) 25.659 11.207 ( 4.060 0.470 1.330) 4.298 11.477 ( -7.032 2.041 -5.339) 9.062 12.008 ( -22.388 9.406 -2.263) 24.389 12.451 ( -7.315 -7.204 -17.106) 19.951 13.165 ( 22.428 -0.609 2.499) 22.575 13.384 ( 11.200 -1.298 -5.071) 12.363 15.063 ( -27.061 -8.907 21.390) 35.626 16.489 ( 4.430 -5.894 -44.250) 44.860 18.695 ( -5.512 35.381 19.061) 40.565 19.080 ( -4.439 19.740 0.056) 20.233 20.455 ( -0.998 -16.752 16.159) 23.296 20.790 ( 0.909 -16.715 -1.013) 16.770 24.212 ( 2.385 0.797 -2.718) 3.703 24.356 ( 3.501 -7.070 -8.955) 11.934 24.595 ( -3.664 1.426 4.246) 5.787 24.708 ( -3.307 -4.914 -1.402) 6.087 26.337 ( -6.175 -2.511 20.601) 21.653 26.843 ( -3.335 -0.052 -1.856) 3.817 28.241 ( 5.417 -0.737 5.411) 7.692 28.547 ( 5.509 -0.239 -9.770) 11.219 33.713 ( 4.513 2.643 22.038) 22.650 34.832 ( 7.540 5.840 -30.967) 32.402 ======================= Grid point 550 (177/216) ======================= q-point: ( 0.55 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.370 ( 3.083 3.057 10.615) 11.469 5.496 ( 3.140 6.262 6.877) 9.817 5.545 ( -1.712 -1.706 14.491) 14.691 5.897 ( -0.739 -0.674 -0.770) 1.262 6.351 ( 0.356 9.568 0.121) 9.576 6.488 ( 3.804 4.802 -3.101) 6.867 7.692 ( 11.517 -1.082 -0.610) 11.584 7.853 ( 4.526 -15.584 13.216) 20.929 8.282 ( 4.563 -9.011 -11.785) 15.521 8.878 ( -4.160 -10.221 -15.928) 19.377 9.386 ( 28.747 0.435 0.423) 28.753 9.597 ( 23.572 -7.353 6.728) 25.592 10.009 ( -9.226 -4.480 15.485) 18.574 10.134 ( -37.584 4.842 10.526) 39.329 11.210 ( 3.550 3.939 -0.397) 5.317 11.412 ( -2.333 6.025 -6.826) 9.399 11.618 ( -20.267 4.651 -10.034) 23.089 12.473 ( -5.726 -3.960 -29.540) 30.349 13.366 ( 13.164 1.588 6.550) 14.789 13.541 ( 13.327 -1.907 -2.232) 13.646 15.112 ( -13.876 -22.492 30.618) 40.447 16.708 ( 7.705 -13.706 -42.456) 45.274 17.990 ( -7.126 40.862 21.549) 46.742 18.570 ( -4.563 33.536 -6.967) 34.555 20.750 ( 0.305 -17.053 16.679) 23.856 21.085 ( 1.421 -15.701 0.344) 15.769 24.242 ( 1.316 -2.088 0.505) 2.519 24.507 ( 2.987 -4.682 -2.806) 6.222 24.566 ( -3.010 -4.101 -2.282) 5.575 24.763 ( -1.782 -4.349 -3.768) 6.023 26.355 ( -3.435 -5.274 18.865) 19.887 26.819 ( -1.899 -0.265 -1.558) 2.470 28.290 ( 2.787 -0.096 5.892) 6.519 28.605 ( 3.121 -2.119 -9.171) 9.917 33.675 ( 1.715 5.424 21.402) 22.145 34.743 ( 3.394 11.047 -28.982) 31.201 ======================= Grid point 551 (178/216) ======================= q-point: (-0.36 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.235 ( 0.000 14.111 8.422) 16.433 5.372 ( 0.000 4.721 4.567) 6.569 5.622 ( -0.000 -2.952 14.454) 14.752 5.916 ( -0.000 -1.969 -0.405) 2.010 6.191 ( 0.000 9.277 1.335) 9.372 6.446 ( 0.000 2.528 -4.280) 4.971 7.665 ( 0.000 4.808 3.419) 5.900 8.265 ( -0.000 -19.429 22.039) 29.381 8.411 ( -0.000 -4.255 -19.916) 20.366 8.916 ( 0.000 4.710 5.921) 7.566 9.486 ( 0.000 12.482 8.677) 15.201 9.786 ( -0.000 -2.979 2.189) 3.697 9.976 ( 0.000 1.276 -4.003) 4.202 10.090 ( -0.000 -29.330 -3.960) 29.596 11.172 ( 0.000 6.295 -0.561) 6.320 11.197 ( 0.000 3.510 12.568) 13.049 11.592 ( -0.000 -4.875 -23.823) 24.316 12.496 ( -0.000 -2.867 -34.606) 34.724 13.367 ( 0.000 4.983 8.087) 9.499 13.606 ( 0.000 2.250 -3.317) 4.008 15.523 ( -0.000 -32.182 34.167) 46.937 17.067 ( -0.000 -21.737 -37.988) 43.768 17.256 ( 0.000 40.492 23.535) 46.835 17.957 ( 0.000 36.006 -11.412) 37.771 20.986 ( -0.000 -10.997 15.109) 18.687 21.300 ( -0.000 -8.923 0.767) 8.955 24.300 ( -0.000 -4.050 4.106) 5.768 24.515 ( 0.000 1.268 10.127) 10.206 24.708 ( -0.000 -10.195 -15.616) 18.650 24.806 ( -0.000 -1.606 -5.450) 5.682 26.449 ( -0.000 -8.089 15.382) 17.379 26.819 ( -0.000 -0.952 -0.686) 1.174 28.292 ( 0.000 1.296 8.312) 8.412 28.679 ( -0.000 -4.869 -9.745) 10.894 33.574 ( 0.000 7.450 19.528) 20.901 34.542 ( 0.000 14.820 -26.067) 29.985 ======================= Grid point 561 (179/216) ======================= q-point: ( 0.45 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.314 ( 4.456 0.000 25.846) 26.227 5.422 ( 1.663 0.000 12.325) 12.437 5.738 ( 0.941 0.000 -0.254) 0.974 5.888 ( -0.742 -0.000 -2.492) 2.600 6.533 ( 2.596 0.000 1.674) 3.089 6.620 ( 3.041 0.000 -1.218) 3.276 7.371 ( 0.770 0.000 16.774) 16.791 7.869 ( 22.475 0.000 -15.838) 27.495 8.092 ( -3.957 -0.000 -13.351) 13.925 8.531 ( -17.860 -0.000 -26.587) 32.029 9.370 ( 35.469 0.000 3.788) 35.671 9.555 ( 22.292 0.000 16.763) 27.892 9.925 ( -3.753 -0.000 18.812) 19.182 10.293 ( -34.682 -0.000 9.770) 36.032 11.262 ( 5.957 0.000 -2.054) 6.301 11.473 ( 1.324 0.000 -10.567) 10.649 11.894 ( -21.738 -0.000 -2.712) 21.906 12.307 ( -5.331 -0.000 -20.056) 20.753 13.409 ( 25.495 0.000 2.605) 25.628 13.463 ( 7.410 0.000 0.339) 7.418 14.714 ( -25.101 -0.000 27.925) 37.548 16.452 ( 0.931 0.000 -51.085) 51.093 19.114 ( -2.588 -0.000 11.806) 12.086 19.127 ( -0.789 -0.000 12.883) 12.907 20.286 ( -0.803 -0.000 14.714) 14.736 20.615 ( -0.057 -0.000 -2.482) 2.482 24.253 ( 0.854 0.000 -5.975) 6.035 24.310 ( 2.879 0.000 -8.615) 9.083 24.598 ( -2.905 -0.000 3.784) 4.771 24.619 ( -1.334 -0.000 1.382) 1.920 26.274 ( -3.050 -0.000 21.666) 21.879 26.818 ( -1.717 -0.000 -2.388) 2.942 28.274 ( 2.930 0.000 5.245) 6.008 28.587 ( 3.013 0.000 -10.472) 10.897 33.770 ( 2.420 0.000 23.349) 23.474 34.935 ( 3.704 0.000 -31.744) 31.960 ======================= Grid point 562 (180/216) ======================= q-point: (-0.45 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.401 ( -0.000 -7.006 23.877) 24.884 5.421 ( 0.000 1.118 11.933) 11.985 5.683 ( 0.000 7.122 0.580) 7.145 5.885 ( -0.000 -0.219 -1.807) 1.820 6.489 ( 0.000 6.400 1.423) 6.556 6.592 ( 0.000 4.660 -1.545) 4.909 7.503 ( -0.000 -15.414 20.468) 25.623 7.885 ( 0.000 8.172 -11.931) 14.461 8.190 ( -0.000 -8.445 -19.587) 21.330 8.555 ( -0.000 -15.126 -27.229) 31.148 9.644 ( -0.000 -3.502 2.540) 4.327 9.683 ( -0.000 -1.261 41.180) 41.200 9.922 ( -0.000 -2.652 -7.701) 8.144 9.957 ( 0.000 11.008 15.335) 18.876 11.292 ( 0.000 1.320 -3.624) 3.857 11.493 ( -0.000 -1.109 -13.534) 13.579 11.627 ( 0.000 14.693 -1.244) 14.746 12.352 ( -0.000 -6.531 -24.432) 25.290 13.470 ( 0.000 2.513 3.838) 4.588 13.584 ( -0.000 -2.502 -1.432) 2.883 14.700 ( -0.000 -14.690 33.652) 36.719 16.533 ( -0.000 -9.040 -50.647) 51.447 18.638 ( 0.000 37.902 20.051) 42.878 19.036 ( 0.000 21.541 0.205) 21.542 20.446 ( -0.000 -17.570 17.152) 24.554 20.800 ( -0.000 -17.770 -1.069) 17.802 24.237 ( 0.000 0.701 -3.553) 3.622 24.400 ( -0.000 -7.274 -11.563) 13.661 24.550 ( 0.000 1.753 6.490) 6.723 24.674 ( -0.000 -4.951 -0.704) 5.001 26.277 ( -0.000 -2.274 21.130) 21.252 26.809 ( 0.000 0.069 -2.304) 2.305 28.295 ( -0.000 -0.686 5.206) 5.251 28.603 ( -0.000 -0.252 -10.017) 10.020 33.756 ( 0.000 3.043 23.113) 23.312 34.903 ( 0.000 6.009 -31.026) 31.603 ======================= Grid point 625 (181/216) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.735 ( 0.000 0.000 -29.784) 29.784 4.735 ( 0.000 0.000 29.784) 29.784 5.110 ( 0.000 0.000 -23.204) 23.204 5.110 ( 0.000 0.000 23.204) 23.204 5.571 ( 0.000 0.000 -0.782) 0.782 5.571 ( 0.000 0.000 0.782) 0.782 7.402 ( 0.000 0.000 -14.124) 14.124 7.402 ( 0.000 0.000 14.124) 14.124 7.670 ( 0.000 0.000 -1.611) 1.611 7.670 ( 0.000 0.000 1.611) 1.611 8.679 ( 0.000 0.000 -10.383) 10.383 8.679 ( 0.000 0.000 10.383) 10.383 9.858 ( 0.000 0.000 -0.678) 0.678 9.858 ( 0.000 0.000 0.678) 0.678 10.260 ( 0.000 0.000 -30.157) 30.157 10.260 ( 0.000 0.000 30.157) 30.157 13.450 ( 0.000 0.000 -15.288) 15.288 13.450 ( 0.000 0.000 15.288) 15.288 14.553 ( 0.000 0.000 -19.394) 19.394 14.553 ( 0.000 0.000 19.394) 19.394 15.358 ( 0.000 0.000 -12.706) 12.706 15.358 ( 0.000 0.000 12.706) 12.706 19.511 ( 0.000 0.000 -2.427) 2.427 19.511 ( 0.000 0.000 2.427) 2.427 20.946 ( 0.000 0.000 -4.268) 4.268 20.946 ( 0.000 0.000 4.268) 4.268 24.061 ( 0.000 0.000 -2.161) 2.161 24.061 ( 0.000 0.000 2.161) 2.161 24.950 ( 0.000 0.000 -2.677) 2.677 24.950 ( 0.000 0.000 2.677) 2.677 26.743 ( 0.000 0.000 -1.549) 1.549 26.743 ( 0.000 0.000 1.549) 1.549 28.633 ( 0.000 0.000 -22.736) 22.736 28.633 ( 0.000 0.000 22.736) 22.736 32.907 ( 0.000 0.000 -0.584) 0.584 32.907 ( 0.000 0.000 0.584) 0.584 ======================= Grid point 627 (182/216) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.811 ( 2.242 -6.549 -27.009) 27.882 4.811 ( 2.242 -6.549 27.009) 27.882 5.234 ( 7.042 -8.826 -17.150) 20.533 5.234 ( 7.042 -8.826 17.150) 20.533 5.619 ( 2.730 -5.141 -8.058) 9.940 5.619 ( 2.730 -5.141 8.058) 9.940 7.313 ( -15.670 -1.460 -9.926) 18.607 7.313 ( -15.670 -1.460 9.926) 18.607 7.749 ( 12.860 0.348 -1.126) 12.914 7.749 ( 12.860 0.348 1.126) 12.914 8.808 ( 15.575 -6.218 -14.191) 21.969 8.808 ( 15.575 -6.218 14.191) 21.969 9.835 ( -7.477 -2.746 -9.017) 12.032 9.835 ( -7.477 -2.746 9.017) 12.032 10.333 ( 6.623 -4.077 -28.092) 29.149 10.333 ( 6.623 -4.077 28.092) 29.149 13.356 ( -5.598 7.349 -19.625) 21.691 13.356 ( -5.598 7.349 19.625) 21.691 14.418 ( -11.184 8.062 -18.453) 23.034 14.418 ( -11.184 8.062 18.453) 23.034 15.456 ( 7.406 -5.287 -11.849) 14.940 15.456 ( 7.406 -5.287 11.849) 14.940 19.419 ( -0.860 10.694 -5.690) 12.144 19.419 ( -0.860 10.694 5.690) 12.144 20.944 ( -3.412 -2.121 -3.812) 5.538 20.944 ( -3.412 -2.121 3.812) 5.538 24.094 ( 0.349 -3.638 -2.903) 4.667 24.094 ( 0.349 -3.638 2.903) 4.667 24.945 ( -1.420 -0.237 -4.540) 4.763 24.945 ( -1.420 -0.237 4.540) 4.763 26.777 ( 3.031 -2.213 -3.019) 4.817 26.777 ( 3.031 -2.213 3.019) 4.817 28.592 ( -7.689 0.218 -21.318) 22.663 28.592 ( -7.689 0.218 21.318) 22.663 32.977 ( 9.969 -2.281 -2.159) 10.452 32.977 ( 9.969 -2.281 2.159) 10.452 ======================= Grid point 629 (183/216) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.948 ( 0.574 -7.331 -20.979) 22.230 4.948 ( 0.574 -7.331 20.979) 22.230 5.426 ( 9.015 -3.190 -5.302) 10.935 5.426 ( 9.015 -3.190 5.302) 10.935 5.819 ( 6.126 -12.278 -17.236) 22.031 5.819 ( 6.126 -12.278 17.236) 22.031 7.216 ( -13.450 -4.639 -7.920) 16.284 7.216 ( -13.450 -4.639 7.920) 16.284 7.886 ( 10.277 -4.286 -5.930) 12.615 7.886 ( 10.277 -4.286 5.930) 12.615 9.147 ( 24.858 -9.309 -17.729) 31.920 9.147 ( 24.858 -9.309 17.729) 31.920 9.854 ( -4.872 -8.352 -15.728) 18.463 9.854 ( -4.872 -8.352 15.728) 18.463 10.494 ( 8.030 -6.454 -26.638) 28.561 10.494 ( 8.030 -6.454 26.638) 28.561 13.137 ( -9.094 9.351 -24.274) 27.556 13.137 ( -9.094 9.351 24.274) 27.556 14.116 ( -13.715 13.467 -17.689) 26.123 14.116 ( -13.715 13.467 17.689) 26.123 15.606 ( 4.415 -4.600 -11.911) 13.510 15.606 ( 4.415 -4.600 11.911) 13.510 19.148 ( -3.324 19.116 -10.505) 22.064 19.148 ( -3.324 19.116 10.505) 22.064 20.967 ( -3.289 -4.793 -2.805) 6.454 20.967 ( -3.289 -4.793 2.805) 6.454 24.181 ( 0.723 -6.086 -4.550) 7.633 24.181 ( 0.723 -6.086 4.550) 7.633 24.929 ( -2.196 0.151 -7.364) 7.686 24.929 ( -2.196 0.151 7.364) 7.686 26.862 ( 4.601 -3.242 -4.833) 7.419 26.862 ( 4.601 -3.242 4.833) 7.419 28.498 ( -11.300 -0.540 -18.078) 21.326 28.498 ( -11.300 -0.540 18.078) 21.326 33.149 ( 15.027 -3.250 -5.234) 16.241 33.149 ( 15.027 -3.250 5.234) 16.241 ======================= Grid point 631 (184/216) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.039 ( 0.442 -2.689 -17.243) 17.457 5.039 ( 0.442 -2.689 17.243) 17.457 5.527 ( 5.505 -1.418 -5.836) 8.147 5.527 ( 5.505 -1.418 5.836) 8.147 6.035 ( 4.333 -6.214 -15.216) 16.998 6.035 ( 4.333 -6.214 15.216) 16.998 7.209 ( -8.278 -6.207 -9.967) 14.366 7.209 ( -8.278 -6.207 9.967) 14.366 8.113 ( 9.889 -11.347 -9.188) 17.634 8.113 ( 9.889 -11.347 9.188) 17.634 9.490 ( 12.383 -8.509 -17.463) 23.037 9.490 ( 12.383 -8.509 17.464) 23.037 10.078 ( 11.816 -14.714 -11.959) 22.342 10.078 ( 11.816 -14.714 11.959) 22.342 10.703 ( 11.371 -8.506 -26.641) 30.189 10.703 ( 11.371 -8.506 26.641) 30.189 12.912 ( -10.276 5.838 -23.643) 26.432 12.912 ( -10.276 5.838 23.643) 26.432 13.723 ( -14.018 17.563 -15.999) 27.585 13.723 ( -14.018 17.563 15.999) 27.585 15.665 ( -1.779 -0.765 -13.383) 13.522 15.665 ( -1.779 -0.765 13.383) 13.522 18.761 ( -5.052 21.303 -13.442) 25.692 18.761 ( -5.052 21.303 13.442) 25.692 21.036 ( -1.270 -5.777 -2.000) 6.244 21.036 ( -1.270 -5.777 2.000) 6.244 24.301 ( 1.180 -7.132 -6.390) 9.648 24.301 ( 1.180 -7.132 6.390) 9.648 24.896 ( -2.284 1.309 -9.476) 9.835 24.896 ( -2.284 1.309 9.476) 9.835 26.959 ( 4.347 -2.907 -5.496) 7.587 26.959 ( 4.347 -2.907 5.496) 7.587 28.409 ( -10.516 -1.629 -14.320) 17.842 28.409 ( -10.516 -1.629 14.320) 17.842 33.347 ( 14.445 -2.920 -7.851) 16.698 33.347 ( 14.445 -2.920 7.851) 16.698 ======================= Grid point 633 (185/216) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( 1.211 1.882 -14.300) 14.474 5.049 ( 1.211 1.882 14.300) 14.474 5.586 ( 1.347 -1.811 -7.789) 8.109 5.586 ( 1.347 -1.811 7.789) 8.109 6.122 ( 1.799 -1.768 -10.823) 11.113 6.122 ( 1.799 -1.768 10.823) 11.113 7.231 ( -4.714 -3.595 -9.259) 10.994 7.231 ( -4.714 -3.595 9.259) 10.994 8.399 ( 8.506 -10.491 -8.285) 15.845 8.399 ( 8.506 -10.491 8.285) 15.845 9.693 ( 2.198 -8.929 -22.185) 24.015 9.693 ( 2.198 -8.929 22.185) 24.015 10.422 ( 8.577 -10.235 -10.922) 17.252 10.422 ( 8.577 -10.235 10.922) 17.252 11.049 ( 25.738 -13.024 -23.687) 37.324 11.049 ( 25.738 -13.024 23.687) 37.324 12.741 ( -13.989 2.829 -18.357) 23.252 12.741 ( -13.989 2.829 18.357) 23.252 13.307 ( -10.350 16.114 -11.300) 22.237 13.307 ( -10.350 16.114 11.300) 22.237 15.602 ( -5.852 3.279 -15.805) 17.170 15.602 ( -5.852 3.279 15.805) 17.170 18.398 ( -4.070 16.050 -12.379) 20.674 18.398 ( -4.070 16.050 12.379) 20.674 21.118 ( 0.082 -4.455 -1.538) 4.714 21.118 ( 0.082 -4.455 1.538) 4.714 24.432 ( 1.511 -6.793 -7.607) 10.310 24.432 ( 1.511 -6.793 7.607) 10.310 24.842 ( -1.999 2.695 -9.977) 10.526 24.842 ( -1.999 2.695 9.977) 10.526 27.034 ( 2.883 -1.838 -4.471) 5.628 27.034 ( 2.883 -1.838 4.471) 5.628 28.354 ( -7.054 -1.830 -10.344) 12.653 28.354 ( -7.054 -1.830 10.344) 12.653 33.506 ( 9.988 -1.910 -9.313) 13.788 33.506 ( 9.988 -1.910 9.313) 13.788 ======================= Grid point 635 (186/216) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.023 ( 0.606 1.549 -7.986) 8.158 5.023 ( 0.606 1.549 7.986) 8.158 5.615 ( -0.055 -0.915 -6.163) 6.231 5.615 ( -0.055 -0.915 6.163) 6.231 6.149 ( 0.588 -0.438 -8.735) 8.766 6.149 ( 0.588 -0.438 8.735) 8.766 7.237 ( -1.651 -1.031 -4.958) 5.326 7.237 ( -1.651 -1.031 4.958) 5.326 8.576 ( 3.213 -3.585 -4.484) 6.579 8.576 ( 3.213 -3.585 4.484) 6.579 9.825 ( 0.670 -4.388 -11.747) 12.557 9.825 ( 0.670 -4.388 11.747) 12.557 10.561 ( 0.714 -2.773 -8.091) 8.583 10.561 ( 0.714 -2.773 8.091) 8.583 11.540 ( 23.265 -11.610 -15.909) 30.482 11.540 ( 23.265 -11.610 15.909) 30.482 12.470 ( -17.847 8.386 -11.440) 22.797 12.470 ( -17.847 8.386 11.440) 22.797 13.096 ( -1.095 3.211 -7.787) 8.494 13.096 ( -1.095 3.211 7.787) 8.494 15.493 ( -3.467 2.591 -18.138) 18.647 15.493 ( -3.467 2.591 18.138) 18.647 18.186 ( -1.433 5.809 -8.189) 10.142 18.186 ( -1.433 5.809 8.189) 10.142 21.172 ( 0.203 -1.648 -1.331) 2.128 21.172 ( 0.203 -1.648 1.331) 2.128 24.539 ( 1.025 -3.799 -5.251) 6.562 24.539 ( 1.025 -3.799 5.251) 6.562 24.779 ( -1.130 2.336 -6.059) 6.591 24.779 ( -1.130 2.336 6.059) 6.591 27.073 ( 0.982 -0.610 -2.237) 2.518 27.073 ( 0.982 -0.610 2.237) 2.518 28.331 ( -2.446 -0.791 -6.916) 7.378 28.331 ( -2.446 -0.791 6.916) 7.378 33.593 ( 3.529 -0.655 -9.871) 10.503 33.593 ( 3.529 -0.655 9.871) 10.503 ======================= Grid point 649 (187/216) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.821 ( 9.016 0.000 -22.602) 24.334 4.821 ( 9.016 0.000 22.602) 24.334 5.228 ( 11.113 0.000 -19.841) 22.741 5.228 ( 11.113 0.000 19.841) 22.741 5.621 ( 5.363 0.000 -1.148) 5.485 5.621 ( 5.363 0.000 1.148) 5.485 7.155 ( -14.012 -0.000 -7.362) 15.828 7.155 ( -14.012 -0.000 7.362) 15.828 7.870 ( 10.036 0.000 -1.769) 10.190 7.870 ( 10.036 0.000 1.769) 10.190 8.967 ( 28.198 0.000 -12.343) 30.781 8.967 ( 28.198 0.000 12.343) 30.781 9.704 ( -13.119 -0.000 -3.077) 13.475 9.704 ( -13.119 -0.000 3.077) 13.475 10.395 ( 11.970 0.000 -27.021) 29.554 10.395 ( 11.970 0.000 27.021) 29.554 13.341 ( -10.755 -0.000 -18.287) 21.215 13.341 ( -10.755 -0.000 18.287) 21.215 14.310 ( -21.878 -0.000 -17.233) 27.850 14.310 ( -21.878 -0.000 17.233) 27.850 15.528 ( 13.539 0.000 -8.602) 16.040 15.528 ( 13.539 0.000 8.602) 16.040 19.503 ( -1.001 -0.000 -1.677) 1.953 19.503 ( -1.001 -0.000 1.677) 1.953 20.870 ( -7.247 -0.000 -4.165) 8.359 20.870 ( -7.247 -0.000 4.165) 8.359 24.068 ( 0.706 0.000 -2.109) 2.224 24.068 ( 0.706 0.000 2.109) 2.224 24.921 ( -2.792 -0.000 -2.487) 3.739 24.921 ( -2.792 -0.000 2.487) 3.739 26.799 ( 5.077 0.000 -2.197) 5.532 26.799 ( 5.077 0.000 2.197) 5.532 28.491 ( -12.816 -0.000 -17.760) 21.901 28.491 ( -12.816 -0.000 17.760) 21.901 33.099 ( 18.208 0.000 -5.360) 18.981 33.099 ( 18.208 0.000 5.360) 18.981 ======================= Grid point 651 (188/216) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.936 ( 10.838 -1.704 -17.177) 20.382 4.936 ( 10.838 -1.704 17.177) 20.382 5.426 ( 11.401 -6.679 -11.657) 17.620 5.426 ( 11.401 -6.679 11.657) 17.620 5.733 ( 9.110 -6.315 -11.618) 16.058 5.733 ( 9.110 -6.315 11.618) 16.058 7.057 ( -8.648 -1.785 -5.703) 10.512 7.057 ( -8.648 -1.785 5.703) 10.512 7.944 ( 7.780 0.267 -3.198) 8.416 7.944 ( 7.780 0.267 3.198) 8.416 9.294 ( 25.782 -3.501 -13.543) 29.332 9.294 ( 25.782 -3.501 13.543) 29.332 9.647 ( -5.932 -8.257 -8.902) 13.514 9.647 ( -5.932 -8.257 8.903) 13.514 10.544 ( 15.507 -1.936 -27.297) 31.453 10.544 ( 15.507 -1.936 27.297) 31.453 13.164 ( -13.557 6.322 -23.324) 27.709 13.164 ( -13.557 6.322 23.324) 27.709 14.050 ( -25.768 3.262 -17.475) 31.305 14.050 ( -25.768 3.262 17.475) 31.305 15.656 ( 11.074 -0.049 -8.592) 14.016 15.656 ( 11.074 -0.049 8.592) 14.016 19.377 ( -3.908 12.778 -6.324) 14.783 19.377 ( -3.908 12.778 6.324) 14.783 20.839 ( -6.444 -5.003 -3.955) 9.066 20.839 ( -6.444 -5.003 3.955) 9.066 24.107 ( 1.055 -3.634 -3.053) 4.862 24.107 ( 1.055 -3.634 3.053) 4.862 24.896 ( -3.502 -0.599 -4.101) 5.426 24.896 ( -3.502 -0.599 4.101) 5.426 26.865 ( 4.740 -1.906 -3.967) 6.468 26.865 ( 4.740 -1.906 3.967) 6.468 28.368 ( -12.685 -0.634 -13.868) 18.805 28.368 ( -12.685 -0.634 13.868) 18.805 33.298 ( 21.149 -0.451 -10.193) 23.482 33.298 ( 21.149 -0.451 10.193) 23.482 ======================= Grid point 653 (189/216) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.067 ( 11.100 -0.827 -13.427) 17.441 5.067 ( 11.100 -0.827 13.427) 17.441 5.567 ( 6.328 -0.780 -4.058) 7.557 5.567 ( 6.328 -0.780 4.058) 7.557 5.971 ( 8.481 -8.326 -17.138) 20.856 5.971 ( 8.481 -8.326 17.138) 20.856 7.067 ( -1.372 -5.239 -6.844) 8.728 7.067 ( -1.372 -5.239 6.844) 8.728 8.059 ( 9.356 -5.568 -8.251) 13.661 8.059 ( 9.356 -5.568 8.251) 13.661 9.430 ( -4.518 -5.342 -13.744) 15.422 9.430 ( -4.518 -5.342 13.744) 15.422 9.962 ( 20.096 -14.739 -8.885) 26.458 9.962 ( 20.096 -14.739 8.885) 26.458 10.770 ( 22.672 -4.243 -28.461) 36.634 10.770 ( 22.672 -4.243 28.461) 36.634 12.912 ( -13.546 7.343 -26.396) 30.564 12.912 ( -13.546 7.343 26.396) 30.564 13.711 ( -27.733 6.665 -16.141) 32.773 13.711 ( -27.733 6.665 16.141) 32.773 15.724 ( 7.137 2.542 -10.628) 13.051 15.724 ( 7.137 2.542 10.628) 13.051 19.027 ( -9.569 20.300 -10.957) 24.975 19.027 ( -9.569 20.300 10.957) 24.975 20.914 ( -1.475 -7.961 -3.690) 8.898 20.914 ( -1.475 -7.961 3.690) 8.898 24.202 ( 1.466 -6.170 -5.160) 8.176 24.202 ( 1.466 -6.170 5.160) 8.176 24.873 ( -3.483 -0.576 -6.489) 7.387 24.873 ( -3.483 -0.576 6.489) 7.387 26.939 ( 1.910 -2.958 -5.653) 6.660 26.939 ( 1.910 -2.958 5.653) 6.660 28.285 ( -8.356 -1.780 -10.689) 13.684 28.285 ( -8.356 -1.780 10.689) 13.684 33.494 ( 19.082 0.638 -13.309) 23.273 33.494 ( 19.082 0.638 13.309) 23.273 ======================= Grid point 655 (190/216) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.148 ( 9.276 3.585 -12.292) 15.811 5.148 ( 9.276 3.585 12.292) 15.811 5.609 ( 4.327 0.919 -6.473) 7.840 5.609 ( 4.327 0.919 6.473) 7.840 6.110 ( 3.314 -2.381 -12.020) 12.694 6.110 ( 3.314 -2.381 12.020) 12.694 7.168 ( 3.993 -4.077 -9.006) 10.662 7.168 ( 3.993 -4.077 9.006) 10.662 8.309 ( 11.352 -10.825 -8.950) 18.060 8.309 ( 11.352 -10.825 8.950) 18.060 9.503 ( -7.139 -11.344 -19.370) 23.555 9.503 ( -7.139 -11.344 19.370) 23.555 10.329 ( 10.440 -10.242 -13.916) 20.188 10.329 ( 10.440 -10.242 13.916) 20.188 11.142 ( 30.506 -9.138 -26.466) 41.408 11.142 ( 30.506 -9.138 26.466) 41.408 12.674 ( -14.992 5.811 -23.856) 28.769 12.674 ( -14.992 5.811 23.856) 28.769 13.328 ( -24.068 7.540 -10.197) 27.205 13.328 ( -24.068 7.540 10.197) 27.205 15.711 ( 6.590 6.566 -13.088) 16.057 15.711 ( 6.590 6.566 13.088) 16.057 18.581 ( -13.894 18.289 -11.807) 25.825 18.581 ( -13.894 18.289 11.807) 25.825 21.045 ( 2.404 -6.575 -3.547) 7.847 21.045 ( 2.404 -6.575 3.547) 7.847 24.331 ( 1.923 -7.216 -7.261) 10.416 24.331 ( 1.923 -7.216 7.261) 10.416 24.843 ( -3.133 0.470 -8.024) 8.627 24.843 ( -3.133 0.470 8.024) 8.627 26.993 ( -1.844 -3.420 -5.523) 6.752 26.993 ( -1.844 -3.420 5.523) 6.752 28.269 ( -2.599 -2.415 -7.971) 8.725 28.269 ( -2.599 -2.415 7.971) 8.725 33.629 ( 13.927 2.374 -14.340) 20.131 33.629 ( 13.927 2.374 14.340) 20.131 ======================= Grid point 657 (191/216) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.124 ( 4.986 6.767 -8.502) 11.956 5.124 ( 4.986 6.767 8.502) 11.956 5.641 ( 5.342 0.752 -6.665) 8.574 5.641 ( 5.342 0.752 6.665) 8.574 6.148 ( 0.984 -0.396 -8.046) 8.116 6.148 ( 0.984 -0.396 8.046) 8.116 7.259 ( 7.716 -0.249 -6.485) 10.083 7.259 ( 7.716 -0.249 6.485) 10.083 8.547 ( 7.067 -5.327 -3.682) 9.585 8.547 ( 7.067 -5.327 3.682) 9.585 9.666 ( -3.744 -13.361 -17.098) 22.020 9.666 ( -3.744 -13.361 17.098) 22.020 10.514 ( 3.905 -4.849 -14.814) 16.069 10.514 ( 3.905 -4.849 14.814) 16.069 11.556 ( 15.699 -9.111 -17.637) 25.309 11.556 ( 15.699 -9.111 17.637) 25.309 12.389 ( -20.699 5.860 -15.731) 26.651 12.389 ( -20.699 5.860 15.731) 26.651 13.099 ( -6.067 1.541 -1.711) 6.489 13.099 ( -6.067 1.541 1.711) 6.489 15.658 ( 11.751 9.417 -15.388) 21.531 15.658 ( 11.751 9.417 15.388) 21.531 18.207 ( -15.860 8.485 -9.365) 20.279 18.207 ( -15.860 8.485 9.365) 20.279 21.157 ( 3.814 -3.054 -3.588) 6.062 21.157 ( 3.814 -3.054 3.588) 6.062 24.467 ( 2.206 -6.478 -8.099) 10.603 24.467 ( 2.206 -6.478 8.099) 10.603 24.796 ( -2.785 1.742 -7.567) 8.249 24.796 ( -2.785 1.742 7.567) 8.249 27.018 ( -4.617 -3.439 -3.765) 6.879 27.018 ( -4.617 -3.439 3.765) 6.879 28.307 ( 2.385 -2.015 -6.897) 7.571 28.307 ( 2.385 -2.015 6.897) 7.571 33.678 ( 7.403 4.153 -13.856) 16.250 33.678 ( 7.403 4.153 13.856) 16.250 ======================= Grid point 659 (192/216) ======================= q-point: (-0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.060 ( 2.559 4.314 -7.766) 9.245 5.060 ( 2.559 4.314 7.766) 9.245 5.673 ( 5.612 2.374 -4.338) 7.480 5.673 ( 5.612 2.374 4.338) 7.480 6.151 ( -0.173 0.386 -7.562) 7.574 6.151 ( -0.173 0.386 7.562) 7.574 7.331 ( 11.507 2.597 -3.379) 12.271 7.331 ( 11.507 2.597 3.379) 12.271 8.601 ( -0.677 2.187 -8.146) 8.462 8.601 ( -0.677 2.187 8.146) 8.462 9.806 ( -2.213 -5.215 -22.771) 23.466 9.806 ( -2.213 -5.215 22.771) 23.466 10.577 ( -0.446 -0.164 -10.299) 10.310 10.577 ( -0.446 -0.164 10.299) 10.310 11.491 ( -24.755 10.097 -12.865) 29.669 11.491 ( -24.755 10.097 12.865) 29.669 12.384 ( 5.145 -15.997 -16.608) 23.626 12.384 ( 5.145 -15.997 16.608) 23.626 13.079 ( 1.960 1.635 -6.468) 6.953 13.079 ( 1.960 1.635 6.468) 6.953 15.663 ( 20.030 7.815 -16.753) 27.257 15.663 ( 20.030 7.815 16.753) 27.257 18.026 ( -14.961 -4.981 -10.111) 18.732 18.026 ( -14.961 -4.981 10.111) 18.732 21.212 ( 3.562 0.816 -3.392) 4.986 21.212 ( 3.562 0.816 3.392) 4.986 24.562 ( 1.424 -1.501 -2.631) 3.347 24.562 ( 1.424 -1.501 2.631) 3.347 24.751 ( -1.687 -0.317 -1.012) 1.993 24.751 ( -1.687 -0.317 1.012) 1.993 27.019 ( -5.743 -2.731 -2.572) 6.860 27.019 ( -5.743 -2.731 2.572) 6.860 28.372 ( 5.908 -0.919 -9.280) 11.040 28.372 ( 5.908 -0.919 9.280) 11.040 33.634 ( 0.776 5.716 -12.513) 13.779 33.634 ( 0.776 5.716 12.513) 13.779 ======================= Grid point 661 (193/216) ======================= q-point: (-0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( 2.966 0.171 -12.516) 12.864 5.049 ( 2.966 0.171 12.516) 12.864 5.654 ( 2.888 5.209 -7.182) 9.330 5.654 ( 2.888 5.209 7.182) 9.330 6.134 ( -0.614 1.278 -9.680) 9.783 6.134 ( -0.614 1.278 9.680) 9.783 7.392 ( 14.539 5.147 -8.016) 17.382 7.392 ( 14.539 5.147 8.016) 17.382 8.472 ( -8.221 8.011 -11.583) 16.307 8.472 ( -8.221 8.011 11.583) 16.307 9.772 ( -5.150 5.183 -27.981) 28.919 9.772 ( -5.150 5.183 27.981) 28.919 10.453 ( -15.445 7.114 -6.767) 18.301 10.453 ( -15.445 7.114 6.767) 18.301 11.080 ( -12.993 12.037 -17.298) 24.758 11.080 ( -12.993 12.037 17.298) 24.758 12.777 ( 10.325 -15.909 -16.685) 25.260 12.777 ( 10.325 -15.909 16.685) 25.260 13.077 ( -1.995 -5.811 -10.977) 12.579 13.077 ( -1.995 -5.811 10.977) 12.579 15.759 ( 21.166 6.187 -16.184) 27.353 15.759 ( 21.166 6.187 16.184) 27.353 18.094 ( -9.908 -17.553 -15.607) 25.492 18.094 ( -9.908 -17.553 15.607) 25.492 21.201 ( 2.725 3.923 -2.771) 5.522 21.201 ( 2.725 3.923 2.771) 5.522 24.523 ( -0.648 5.383 -6.831) 8.722 24.523 ( -0.648 5.383 6.831) 8.722 24.795 ( 0.640 -4.313 -10.665) 11.522 24.795 ( 0.640 -4.314 10.665) 11.522 26.997 ( -5.559 -1.122 -3.742) 6.794 26.997 ( -5.559 -1.122 3.742) 6.794 28.446 ( 7.980 0.112 -13.348) 15.552 28.446 ( 7.980 0.112 13.348) 15.552 33.509 ( -4.782 6.911 -10.741) 13.638 33.509 ( -4.782 6.911 10.741) 13.638 ======================= Grid point 663 (194/216) ======================= q-point: (-0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.100 ( 5.764 -0.666 -15.604) 16.648 5.100 ( 5.764 -0.666 15.604) 16.648 5.547 ( -3.257 7.482 -11.948) 14.469 5.547 ( -3.257 7.482 11.948) 14.469 6.088 ( -1.408 3.644 -13.417) 13.975 6.088 ( -1.408 3.644 13.417) 13.975 7.434 ( 15.992 7.536 -12.043) 21.391 7.434 ( 15.992 7.536 12.043) 21.391 8.202 ( -12.952 11.273 -11.922) 20.904 8.202 ( -12.952 11.273 11.922) 20.904 9.528 ( -14.634 12.531 -18.476) 26.694 9.528 ( -14.634 12.531 18.476) 26.694 10.153 ( -12.288 8.354 -22.234) 26.742 10.153 ( -12.288 8.354 22.234) 26.742 10.834 ( -0.586 12.605 -23.253) 26.456 10.834 ( -0.586 12.605 23.253) 26.456 12.940 ( 7.219 -0.435 -19.199) 20.516 12.940 ( 7.219 -0.435 19.199) 20.516 13.401 ( 0.257 -27.958 -16.752) 32.594 13.401 ( 0.257 -27.958 16.752) 32.594 15.811 ( 12.556 7.977 -14.609) 20.849 15.811 ( 12.556 7.977 14.609) 20.849 18.393 ( -3.019 -24.814 -17.708) 30.634 18.393 ( -3.019 -24.814 17.708) 30.634 21.143 ( 2.012 5.489 -1.881) 6.141 21.143 ( 2.012 5.489 1.881) 6.141 24.409 ( -0.802 6.988 -7.055) 9.962 24.409 ( -0.802 6.988 7.055) 9.962 24.872 ( 1.139 -3.522 -11.835) 12.400 24.872 ( 1.139 -3.522 11.835) 12.400 26.949 ( -4.501 1.061 -5.083) 6.872 26.949 ( -4.501 1.061 5.083) 6.872 28.520 ( 8.290 0.416 -17.481) 19.351 28.520 ( 8.290 0.416 17.481) 19.351 33.326 ( -7.825 7.496 -8.754) 13.930 33.326 ( -7.825 7.496 8.754) 13.930 ======================= Grid point 665 (195/216) ======================= q-point: (-0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.141 ( 10.124 7.452 -18.183) 22.105 5.141 ( 10.124 7.452 18.183) 22.105 5.367 ( -11.119 3.620 -11.463) 16.375 5.367 ( -11.119 3.620 11.463) 16.375 5.967 ( -2.073 9.248 -16.251) 18.812 5.967 ( -2.073 9.248 16.251) 18.812 7.456 ( 14.898 7.436 -13.114) 21.195 7.456 ( 14.898 7.436 13.114) 21.195 7.896 ( -12.534 9.711 -10.691) 19.124 7.896 ( -12.534 9.711 10.691) 19.124 9.148 ( -14.000 13.859 -20.647) 28.537 9.148 ( -14.000 13.859 20.647) 28.537 9.985 ( -0.817 5.480 -25.400) 25.998 9.985 ( -0.817 5.480 25.400) 25.998 10.616 ( -0.871 12.771 -24.752) 27.866 10.616 ( -0.871 12.771 24.752) 27.866 13.057 ( 4.260 -7.142 -23.614) 25.035 13.057 ( 4.260 -7.142 23.614) 25.035 13.862 ( 2.222 -25.102 -18.039) 30.991 13.862 ( 2.222 -25.102 18.039) 30.991 15.732 ( 3.106 10.196 -13.349) 17.083 15.732 ( 3.106 10.196 13.349) 17.083 18.803 ( 0.390 -24.749 -15.076) 28.981 18.803 ( 0.390 -24.749 15.076) 28.981 21.069 ( 1.416 5.164 -1.661) 5.606 21.069 ( 1.416 5.164 1.661) 5.606 24.286 ( -0.404 7.056 -5.770) 9.124 24.286 ( -0.404 7.056 5.770) 9.124 24.927 ( 0.890 -1.908 -10.392) 10.603 24.927 ( 0.890 -1.908 10.392) 10.603 26.880 ( -2.667 2.944 -5.447) 6.741 26.880 ( -2.667 2.944 5.447) 6.741 28.587 ( 5.887 -0.034 -20.874) 21.688 28.587 ( 5.887 -0.034 20.874) 21.688 33.131 ( -6.587 7.050 -6.708) 11.751 33.131 ( -6.587 7.050 6.708) 11.751 ======================= Grid point 667 (196/216) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.983 ( 0.000 13.754 -26.920) 30.231 4.983 ( 0.000 13.754 26.920) 30.231 5.294 ( 0.000 1.720 -9.540) 9.694 5.294 ( 0.000 1.720 9.540) 9.694 5.761 ( 0.000 12.705 -15.563) 20.090 5.761 ( 0.000 12.705 15.563) 20.090 7.456 ( 0.000 3.832 -15.375) 15.845 7.456 ( 0.000 3.832 15.375) 15.845 7.692 ( 0.000 4.687 -9.144) 10.275 7.692 ( 0.000 4.687 9.144) 10.275 8.872 ( 0.000 10.535 -19.318) 22.004 8.872 ( 0.000 10.535 19.318) 22.004 9.918 ( 0.000 3.381 -18.091) 18.405 9.918 ( 0.000 3.381 18.091) 18.405 10.419 ( 0.000 9.623 -26.849) 28.521 10.419 ( 0.000 9.623 26.849) 28.521 13.230 ( -0.000 -10.181 -23.464) 25.578 13.230 ( -0.000 -10.181 23.464) 25.578 14.242 ( -0.000 -18.417 -18.645) 26.207 14.242 ( -0.000 -18.417 18.645) 26.207 15.565 ( 0.000 10.343 -13.165) 16.742 15.565 ( 0.000 10.343 13.165) 16.742 19.175 ( -0.000 -19.136 -10.419) 21.788 19.175 ( -0.000 -19.136 10.419) 21.788 21.005 ( 0.000 3.546 -2.776) 4.503 21.005 ( 0.000 3.546 2.776) 4.503 24.174 ( 0.000 6.050 -4.284) 7.413 24.174 ( 0.000 6.050 4.284) 7.413 24.951 ( -0.000 -0.465 -7.714) 7.728 24.951 ( -0.000 -0.465 7.714) 7.728 26.811 ( 0.000 3.463 -4.643) 5.792 26.811 ( 0.000 3.463 4.643) 5.792 28.622 ( -0.000 -0.449 -22.515) 22.520 28.622 ( -0.000 -0.449 22.515) 22.520 32.992 ( 0.000 5.171 -4.518) 6.866 32.992 ( 0.000 5.171 4.518) 6.866 ======================= Grid point 673 (197/216) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.041 ( 12.124 0.000 -8.097) 14.580 5.041 ( 12.124 0.000 8.097) 14.580 5.509 ( 17.327 0.000 -13.403) 21.906 5.509 ( 17.327 0.000 13.403) 21.906 5.775 ( 10.865 0.000 -1.630) 10.987 5.775 ( 10.865 0.000 1.630) 10.987 6.987 ( -2.738 -0.000 -4.989) 5.691 6.987 ( -2.738 -0.000 4.989) 5.691 8.023 ( 7.800 0.000 -1.325) 7.911 8.023 ( 7.800 0.000 1.325) 7.911 9.344 ( -13.403 -0.000 -3.676) 13.898 9.344 ( -13.403 -0.000 3.676) 13.898 9.672 ( 29.772 0.000 -8.581) 30.984 9.672 ( 29.772 0.000 8.581) 30.984 10.709 ( 21.950 0.000 -28.385) 35.882 10.709 ( 21.950 0.000 28.385) 35.882 13.074 ( -15.961 -0.000 -24.519) 29.256 13.074 ( -15.961 -0.000 24.519) 29.256 13.795 ( -30.966 -0.000 -19.054) 36.358 13.795 ( -30.966 -0.000 19.054) 36.358 15.759 ( 8.834 0.000 -8.202) 12.054 15.759 ( 8.834 0.000 8.202) 12.054 19.464 ( -3.203 -0.000 -0.183) 3.209 19.464 ( -3.203 -0.000 0.183) 3.209 20.711 ( -8.247 -0.000 -4.573) 9.430 20.711 ( -8.247 -0.000 4.573) 9.430 24.088 ( 1.441 0.000 -1.794) 2.301 24.088 ( 1.441 0.000 1.794) 2.301 24.852 ( -4.269 -0.000 -1.995) 4.712 24.852 ( -4.269 -0.000 1.995) 4.712 26.885 ( 2.285 0.000 -4.769) 5.288 26.885 ( 2.285 0.000 4.769) 5.288 28.255 ( -8.967 -0.000 -10.527) 13.828 28.255 ( -8.967 -0.000 10.527) 13.828 33.511 ( 22.635 0.000 -15.877) 27.648 33.511 ( 22.635 0.000 15.877) 27.648 ======================= Grid point 675 (198/216) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.170 ( 11.988 -1.617 -4.581) 12.935 5.170 ( 11.988 -1.617 4.581) 12.935 5.649 ( 10.674 1.156 -9.497) 14.334 5.649 ( 10.674 1.156 9.497) 14.334 5.957 ( 14.469 -5.450 -12.138) 19.657 5.957 ( 14.469 -5.450 12.138) 19.657 7.014 ( 4.316 -2.805 -4.907) 7.112 7.014 ( 4.316 -2.805 4.907) 7.112 8.110 ( 11.162 -0.625 -6.970) 13.174 8.110 ( 11.162 -0.625 6.970) 13.174 9.224 ( -17.405 -5.125 -8.859) 20.191 9.224 ( -17.405 -5.125 8.859) 20.191 10.012 ( 25.013 -6.416 -10.509) 27.879 10.012 ( 25.013 -6.416 10.509) 27.879 10.967 ( 28.537 -2.144 -28.595) 40.456 10.967 ( 28.537 -2.144 28.595) 40.456 12.879 ( -14.965 4.831 -27.839) 31.973 12.879 ( -14.965 4.831 27.839) 31.973 13.475 ( -32.859 1.478 -19.003) 37.987 13.475 ( -32.859 1.478 19.003) 37.987 15.816 ( 4.647 0.609 -10.935) 11.897 15.816 ( 4.647 0.609 10.935) 11.897 19.264 ( -7.627 17.721 -7.827) 20.820 19.264 ( -7.627 17.721 7.827) 20.820 20.736 ( -3.667 -9.956 -5.198) 11.815 20.736 ( -3.667 -9.956 5.198) 11.815 24.135 ( 1.817 -3.629 -3.172) 5.152 24.135 ( 1.817 -3.629 3.172) 5.152 24.819 ( -4.321 -1.075 -3.438) 5.626 24.819 ( -4.321 -1.075 3.438) 5.626 26.901 ( -1.911 -1.606 -6.891) 7.329 26.901 ( -1.911 -1.606 6.891) 7.329 28.207 ( -2.675 -1.014 -8.629) 9.091 28.207 ( -2.676 -1.014 8.629) 9.091 33.707 ( 20.063 1.621 -19.429) 27.976 33.707 ( 20.063 1.621 19.429) 27.976 ======================= Grid point 677 (199/216) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.295 ( 10.528 0.962 -4.234) 11.389 5.295 ( 10.528 0.962 4.234) 11.389 5.694 ( 6.689 2.506 -6.606) 9.729 5.694 ( 6.689 2.506 6.606) 9.729 6.130 ( 8.597 -0.947 -10.533) 13.629 6.130 ( 8.597 -0.947 10.533) 13.629 7.163 ( 10.925 -5.330 -6.940) 13.998 7.163 ( 10.925 -5.330 6.940) 13.998 8.295 ( 16.213 -6.138 -11.349) 20.720 8.295 ( 16.213 -6.138 11.349) 20.720 9.199 ( -15.478 -11.316 -17.299) 25.824 9.199 ( -15.478 -11.316 17.299) 25.824 10.309 ( 13.904 -6.379 -14.931) 21.376 10.309 ( 13.904 -6.379 14.931) 21.376 11.302 ( 25.593 -4.974 -25.813) 36.688 11.302 ( 25.593 -4.974 25.813) 36.688 12.637 ( -16.191 7.455 -27.427) 32.711 12.637 ( -16.191 7.455 27.427) 32.711 13.156 ( -23.942 1.290 -12.788) 27.174 13.156 ( -23.942 1.290 12.788) 27.174 15.843 ( 4.574 0.882 -14.567) 15.294 15.843 ( 4.574 0.882 14.567) 15.294 18.793 ( -14.064 24.555 -11.989) 30.732 18.793 ( -14.064 24.555 11.989) 30.732 20.920 ( 1.901 -11.613 -5.471) 12.977 20.920 ( 1.901 -11.613 5.471) 12.977 24.237 ( 2.171 -6.245 -5.819) 8.808 24.237 ( 2.171 -6.245 5.819) 8.808 24.801 ( -3.946 -1.286 -5.517) 6.904 24.801 ( -3.946 -1.286 5.517) 6.904 26.901 ( -5.562 -2.860 -7.843) 10.032 26.901 ( -5.562 -2.860 7.843) 10.032 28.233 ( 2.669 -1.885 -7.508) 8.189 28.233 ( 2.669 -1.885 7.508) 8.189 33.829 ( 15.128 4.213 -20.544) 25.859 33.829 ( 15.128 4.213 20.544) 25.859 ======================= Grid point 679 (200/216) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.302 ( 5.366 7.422 -4.141) 10.051 5.302 ( 5.366 7.422 4.141) 10.051 5.725 ( 7.044 1.312 -4.273) 8.343 5.725 ( 7.044 1.312 4.273) 8.343 6.174 ( 3.820 1.659 -5.804) 7.144 6.174 ( 3.820 1.659 5.804) 7.144 7.357 ( 15.569 -2.173 -7.034) 17.222 7.357 ( 15.569 -2.173 7.034) 17.222 8.562 ( 14.799 -4.732 -8.542) 17.730 8.562 ( 14.799 -4.732 8.542) 17.730 9.324 ( -9.551 -19.014 -22.335) 30.848 9.324 ( -9.551 -19.014 22.335) 30.848 10.490 ( 6.239 -3.955 -17.477) 18.973 10.490 ( 6.239 -3.955 17.477) 18.973 11.531 ( 1.623 -4.152 -16.992) 17.567 11.531 ( 1.623 -4.152 16.992) 17.567 12.293 ( -23.431 8.284 -20.430) 32.172 12.293 ( -23.431 8.284 20.430) 32.172 13.072 ( 3.684 -2.282 -5.110) 6.700 13.072 ( 3.684 -2.282 5.110) 6.700 15.895 ( 11.904 1.792 -17.044) 20.867 15.895 ( 11.904 1.792 17.044) 20.867 18.248 ( -20.016 19.971 -12.342) 30.851 18.248 ( -20.016 19.971 12.342) 30.851 21.116 ( 4.447 -7.646 -5.802) 10.579 21.116 ( 4.447 -7.646 5.802) 10.579 24.374 ( 2.476 -7.312 -8.161) 11.234 24.374 ( 2.476 -7.312 8.161) 11.234 24.779 ( -3.534 -0.171 -6.737) 7.610 24.779 ( -3.534 -0.171 6.737) 7.610 26.894 ( -7.229 -3.886 -6.912) 10.731 26.894 ( -7.229 -3.886 6.912) 10.731 28.310 ( 5.591 -2.294 -7.691) 9.782 28.310 ( 5.591 -2.294 7.691) 9.782 33.854 ( 9.303 6.868 -19.861) 22.982 33.854 ( 9.303 6.868 19.861) 22.982 ======================= Grid point 681 (201/216) ======================= q-point: ( 0.55 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.193 ( 2.070 8.477 -6.686) 10.994 5.193 ( 2.070 8.477 6.686) 10.994 5.772 ( 6.443 1.552 -2.488) 7.079 5.772 ( 6.443 1.552 2.488) 7.079 6.171 ( 1.836 1.630 -5.912) 6.402 6.171 ( 1.836 1.630 5.912) 6.402 7.528 ( 19.776 1.960 -4.547) 20.387 7.528 ( 19.776 1.960 4.547) 20.387 8.661 ( 4.192 3.845 -8.543) 10.264 8.661 ( 4.192 3.845 8.543) 10.264 9.601 ( -1.309 -17.318 -29.740) 34.440 9.601 ( -1.309 -17.318 29.740) 34.440 10.545 ( -5.155 -0.667 -10.668) 11.867 10.545 ( -5.155 -0.667 10.668) 11.867 11.397 ( -21.600 5.810 -8.038) 23.768 11.397 ( -21.600 5.810 8.038) 23.768 12.122 ( -9.677 -9.849 -24.094) 27.770 12.122 ( -9.677 -9.849 24.094) 27.770 13.184 ( 12.194 1.663 -4.752) 13.193 13.184 ( 12.194 1.663 4.752) 13.193 16.023 ( 25.366 4.716 -16.145) 30.436 16.023 ( 25.366 4.716 16.145) 30.436 17.805 ( -25.592 5.420 -11.389) 28.532 17.805 ( -25.592 5.420 11.389) 28.532 21.244 ( 4.584 -2.454 -5.793) 7.784 21.244 ( 4.584 -2.454 5.793) 7.784 24.515 ( 2.725 -6.294 -8.674) 11.058 24.515 ( 2.725 -6.294 8.674) 11.058 24.737 ( -3.296 1.091 -5.719) 6.691 24.737 ( -3.296 1.091 5.719) 6.691 26.894 ( -6.936 -4.330 -5.043) 9.607 26.894 ( -6.936 -4.330 5.043) 9.607 28.407 ( 6.518 -2.191 -10.221) 12.319 28.407 ( 6.518 -2.191 10.221) 12.319 33.783 ( 3.694 9.101 -18.115) 20.606 33.783 ( 3.694 9.101 18.115) 20.606 ======================= Grid point 683 (202/216) ======================= q-point: (-0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.103 ( 1.720 3.850 -10.808) 11.601 5.103 ( 1.720 3.850 10.808) 11.601 5.777 ( 3.841 4.319 -7.144) 9.189 5.777 ( 3.841 4.319 7.144) 9.189 6.159 ( 1.193 1.637 -9.754) 9.962 6.159 ( 1.193 1.637 9.754) 9.962 7.672 ( 23.068 5.479 -6.198) 24.507 7.672 ( 23.068 5.479 6.198) 24.507 8.529 ( -7.788 9.646 -9.632) 15.699 8.529 ( -7.788 9.646 9.632) 15.699 9.767 ( -1.086 -2.161 -29.595) 29.694 9.767 ( -1.086 -2.161 29.595) 29.694 10.367 ( -22.210 4.254 -12.820) 25.995 10.367 ( -22.210 4.254 12.820) 25.995 11.156 ( -3.905 6.298 -16.143) 17.762 11.156 ( -3.905 6.298 16.143) 17.762 12.368 ( -5.451 -26.659 -24.081) 36.336 12.368 ( -5.451 -26.659 24.081) 36.336 13.188 ( 6.790 8.635 -9.165) 14.306 13.188 ( 6.790 8.635 9.165) 14.306 16.168 ( 29.498 12.174 -14.394) 35.008 16.168 ( 29.498 12.174 14.394) 35.008 17.645 ( -23.282 -16.213 -18.396) 33.813 17.645 ( -23.282 -16.213 18.396) 33.813 21.285 ( 3.370 2.019 -5.047) 6.396 21.285 ( 3.370 2.019 5.047) 6.396 24.590 ( 1.322 1.866 -3.389) 4.088 24.590 ( 1.322 1.866 3.389) 4.088 24.718 ( -1.573 -3.979 -7.746) 8.849 24.718 ( -1.573 -3.979 7.746) 8.849 26.902 ( -5.247 -3.627 -3.692) 7.370 26.902 ( -5.247 -3.627 3.692) 7.370 28.500 ( 6.013 -1.713 -14.100) 15.424 28.501 ( 6.013 -1.713 14.100) 15.424 33.632 ( -0.618 10.612 -15.817) 19.057 33.632 ( -0.618 10.612 15.817) 19.057 ======================= Grid point 685 (203/216) ======================= q-point: (-0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.107 ( 2.104 -1.861 -13.089) 13.387 5.107 ( 2.104 -1.861 13.089) 13.387 5.691 ( 0.777 9.004 -13.386) 16.151 5.691 ( 0.777 9.004 13.386) 16.151 6.134 ( 0.367 2.587 -13.395) 13.647 6.134 ( 0.367 2.587 13.395) 13.647 7.777 ( 24.188 10.018 -10.556) 28.229 7.777 ( 24.188 10.018 10.556) 28.229 8.220 ( -18.986 10.308 -11.553) 24.499 8.220 ( -18.986 10.308 11.553) 24.499 9.628 ( -7.547 12.086 -13.116) 19.366 9.628 ( -7.547 12.086 13.116) 19.366 10.140 ( -9.409 2.903 -35.343) 36.689 10.140 ( -9.409 2.903 35.343) 36.689 11.036 ( 1.818 9.539 -23.222) 25.171 11.036 ( 1.818 9.539 23.222) 25.171 12.841 ( -0.923 -32.312 -20.480) 38.267 12.841 ( -0.923 -32.312 20.480) 38.267 13.080 ( 1.442 7.031 -14.448) 16.132 13.080 ( 1.442 7.031 14.448) 16.132 16.139 ( 13.620 15.762 -15.362) 25.883 16.139 ( 13.620 15.762 15.362) 25.883 17.889 ( -8.285 -29.101 -23.354) 38.221 17.889 ( -8.285 -29.101 23.354) 38.221 21.250 ( 1.651 4.851 -3.669) 6.302 21.250 ( 1.651 4.851 3.669) 6.302 24.514 ( -0.257 6.188 -7.423) 9.667 24.514 ( -0.257 6.188 7.423) 9.667 24.804 ( 0.244 -5.428 -13.145) 14.223 24.804 ( 0.244 -5.428 13.145) 14.223 26.909 ( -2.772 -1.647 -4.027) 5.159 26.909 ( -2.772 -1.647 4.027) 5.159 28.573 ( 4.013 -1.127 -17.979) 18.456 28.573 ( 4.013 -1.127 17.979) 18.456 33.435 ( -2.309 11.045 -13.212) 17.375 33.435 ( -2.309 11.045 13.212) 17.375 ======================= Grid point 687 (204/216) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.185 ( -0.000 -5.234 -12.514) 13.565 5.185 ( -0.000 -5.234 12.514) 13.565 5.494 ( 0.000 14.370 -19.194) 23.977 5.494 ( 0.000 14.370 19.194) 23.977 6.074 ( 0.000 4.962 -15.385) 16.165 6.074 ( 0.000 4.962 15.385) 16.165 7.722 ( 0.000 13.498 -19.072) 23.366 7.722 ( 0.000 13.498 19.072) 23.366 7.955 ( 0.000 6.742 -17.550) 18.801 7.955 ( 0.000 6.742 17.550) 18.801 9.336 ( 0.000 16.190 -17.730) 24.010 9.336 ( 0.000 16.190 17.730) 24.010 10.050 ( 0.000 3.844 -35.113) 35.322 10.050 ( 0.000 3.844 35.113) 35.322 10.847 ( 0.000 13.980 -24.205) 27.952 10.847 ( 0.000 13.980 24.205) 27.952 13.013 ( 0.000 0.115 -20.084) 20.085 13.013 ( 0.000 0.115 20.084) 20.085 13.388 ( -0.000 -31.973 -18.723) 37.051 13.388 ( -0.000 -31.973 18.723) 37.051 15.952 ( 0.000 13.455 -14.099) 19.489 15.952 ( 0.000 13.455 14.099) 19.489 18.351 ( -0.000 -29.292 -20.161) 35.560 18.351 ( -0.000 -29.292 20.161) 35.560 21.167 ( 0.000 5.726 -2.098) 6.098 21.167 ( 0.000 5.726 2.098) 6.098 24.402 ( 0.000 7.039 -6.778) 9.772 24.402 ( 0.000 7.039 6.778) 9.772 24.883 ( -0.000 -3.853 -12.511) 13.091 24.883 ( -0.000 -3.853 12.511) 13.091 26.901 ( 0.000 0.959 -5.065) 5.155 26.901 ( 0.000 0.959 5.065) 5.155 28.609 ( -0.000 -0.601 -20.675) 20.683 28.609 ( -0.000 -0.601 20.675) 20.683 33.245 ( 0.000 9.930 -10.244) 14.267 33.245 ( 0.000 9.930 10.244) 14.267 ======================= Grid point 697 (205/216) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.255 ( 10.572 0.000 -1.962) 10.753 5.255 ( 10.572 0.000 1.962) 10.753 5.750 ( 5.945 0.000 -8.607) 10.461 5.750 ( 5.945 0.000 8.607) 10.461 6.092 ( 20.703 0.000 -1.725) 20.775 6.092 ( 20.703 0.000 1.725) 20.775 7.057 ( 9.574 0.000 -4.011) 10.380 7.057 ( 9.574 0.000 4.011) 10.380 8.237 ( 15.918 0.000 -8.271) 17.939 8.237 ( 15.918 0.000 8.271) 17.939 8.989 ( -20.025 -0.000 -3.674) 20.359 8.989 ( -20.025 -0.000 3.674) 20.359 10.185 ( 20.364 0.000 -11.689) 23.480 10.185 ( 20.364 0.000 11.689) 23.480 11.224 ( 27.055 0.000 -26.647) 37.974 11.224 ( 27.055 0.000 26.647) 37.974 12.787 ( -12.507 -0.000 -27.364) 30.087 12.787 ( -12.507 -0.000 27.364) 30.087 13.169 ( -31.417 -0.000 -20.156) 37.326 13.169 ( -31.417 -0.000 20.156) 37.326 15.828 ( -2.024 -0.000 -14.925) 15.062 15.828 ( -2.024 -0.000 14.925) 15.062 19.384 ( -4.803 -0.000 -1.423) 5.009 19.384 ( -4.803 -0.000 1.423) 5.009 20.586 ( -4.550 -0.000 -5.914) 7.462 20.586 ( -4.550 -0.000 5.914) 7.462 24.123 ( 2.176 0.000 -0.983) 2.388 24.123 ( 2.176 0.000 0.983) 2.388 24.766 ( -4.495 -0.000 -1.318) 4.685 24.766 ( -4.495 -0.000 1.318) 4.685 26.853 ( -5.146 -0.000 -9.087) 10.443 26.853 ( -5.146 -0.000 9.087) 10.443 28.201 ( 2.868 0.000 -7.831) 8.340 28.201 ( 2.868 0.000 7.831) 8.340 33.907 ( 17.801 0.000 -23.505) 29.485 33.907 ( 17.801 0.000 23.505) 29.485 ======================= Grid point 699 (206/216) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.375 ( 9.634 -1.756 -2.930) 10.221 5.375 ( 9.634 -1.756 2.930) 10.221 5.776 ( 2.743 1.125 -8.903) 9.384 5.776 ( 2.743 1.125 8.903) 9.384 6.262 ( 15.079 2.173 -4.226) 15.810 6.262 ( 15.079 2.173 4.226) 15.810 7.205 ( 14.567 -4.117 -3.876) 15.626 7.205 ( 14.567 -4.117 3.876) 15.626 8.412 ( 18.626 -1.367 -13.903) 23.283 8.412 ( 18.626 -1.367 13.903) 23.283 8.879 ( -14.804 -7.578 -10.730) 19.792 8.879 ( -14.804 -7.578 10.730) 19.792 10.372 ( 13.337 -2.331 -14.460) 19.809 10.372 ( 13.337 -2.331 14.460) 19.809 11.435 ( 11.521 -1.386 -22.388) 25.217 11.435 ( 11.521 -1.386 22.388) 25.217 12.588 ( -21.531 6.827 -20.530) 30.523 12.588 ( -21.531 6.827 20.530) 30.523 12.978 ( -5.946 -2.728 -10.467) 12.344 12.978 ( -5.946 -2.728 10.467) 12.344 15.813 ( -5.055 -3.396 -20.645) 21.525 15.813 ( -5.055 -3.396 20.645) 21.525 19.108 ( -7.883 24.141 -8.853) 26.895 19.108 ( -7.883 24.141 8.853) 26.895 20.700 ( -0.455 -14.671 -6.810) 16.181 20.700 ( -0.455 -14.671 6.810) 16.181 24.176 ( 2.371 -3.608 -3.287) 5.426 24.176 ( 2.371 -3.608 3.287) 5.426 24.737 ( -4.130 -1.404 -2.859) 5.216 24.737 ( -4.130 -1.404 2.859) 5.216 26.806 ( -6.690 -1.290 -10.561) 12.568 26.806 ( -6.690 -1.290 10.561) 12.568 28.253 ( 5.857 -0.915 -7.450) 9.521 28.253 ( 5.857 -0.915 7.450) 9.521 34.033 ( 13.642 3.171 -25.107) 28.749 34.033 ( 13.642 3.171 25.107) 28.749 ======================= Grid point 701 (207/216) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.446 ( 5.639 3.544 -2.762) 7.210 5.446 ( 5.639 3.544 2.762) 7.210 5.786 ( 2.472 0.083 -9.202) 9.529 5.786 ( 2.472 0.083 9.202) 9.529 6.296 ( 7.663 5.982 -2.681) 10.084 6.296 ( 7.663 5.982 2.681) 10.084 7.458 ( 18.818 -5.988 -5.889) 20.607 7.458 ( 18.818 -5.988 5.889) 20.607 8.631 ( 8.065 -8.212 -13.129) 17.460 8.631 ( 8.065 -8.212 13.129) 17.460 8.969 ( 3.304 -10.712 -11.581) 16.118 8.969 ( 3.304 -10.712 11.581) 16.118 10.493 ( 3.316 -1.682 -15.464) 15.905 10.493 ( 3.316 -1.682 15.464) 15.905 11.453 ( -10.002 -0.047 -13.532) 16.827 11.453 ( -10.002 -0.047 13.532) 16.827 12.207 ( -24.916 8.791 -19.436) 32.801 12.207 ( -24.916 8.791 19.436) 32.801 13.120 ( 17.695 -4.051 -7.523) 19.649 13.120 ( 17.695 -4.051 7.523) 19.649 15.882 ( -0.534 -9.334 -26.326) 27.937 15.882 ( -0.534 -9.334 26.326) 27.937 18.529 ( -12.331 32.014 -13.002) 36.688 18.529 ( -12.331 32.014 13.002) 36.688 20.968 ( 2.624 -14.547 -7.212) 16.447 20.968 ( 2.624 -14.547 7.212) 16.447 24.282 ( 2.358 -6.309 -6.462) 9.334 24.282 ( 2.358 -6.309 6.462) 9.334 24.727 ( -3.525 -1.648 -4.975) 6.316 24.727 ( -3.525 -1.648 4.975) 6.316 26.772 ( -6.635 -2.480 -10.408) 12.589 26.772 ( -6.635 -2.480 10.408) 12.589 28.335 ( 6.325 -1.716 -7.502) 9.961 28.335 ( 6.325 -1.716 7.502) 9.961 34.059 ( 8.826 6.721 -24.732) 27.106 34.059 ( 8.826 6.721 24.732) 27.106 ======================= Grid point 703 (208/216) ======================= q-point: ( 0.55 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.363 ( 1.662 9.450 -3.283) 10.141 5.363 ( 1.662 9.450 3.283) 10.141 5.822 ( 2.628 -0.857 -6.615) 7.169 5.822 ( 2.628 -0.857 6.615) 7.169 6.252 ( 3.594 4.966 -5.997) 8.576 6.252 ( 3.594 4.966 5.997) 8.576 7.721 ( 19.823 -2.718 -10.555) 22.622 7.721 ( 19.823 -2.718 10.555) 22.622 8.766 ( 0.722 -1.848 -8.354) 8.587 8.766 ( 0.722 -1.848 8.354) 8.587 9.304 ( 14.755 -17.150 -23.391) 32.542 9.304 ( 14.755 -17.150 23.391) 32.542 10.442 ( -17.730 1.046 -7.253) 19.184 10.442 ( -17.730 1.046 7.253) 19.184 11.301 ( -11.290 2.764 -4.739) 12.553 11.301 ( -11.290 2.764 4.739) 12.553 11.924 ( -14.894 0.246 -28.047) 31.758 11.924 ( -14.894 0.246 28.047) 31.758 13.338 ( 16.302 -0.072 -4.971) 17.043 13.338 ( 16.302 -0.072 4.971) 17.043 16.137 ( 12.097 -15.026 -28.889) 34.737 16.137 ( 12.097 -15.026 28.889) 34.737 17.866 ( -17.826 29.518 -14.176) 37.283 17.866 ( -17.826 29.518 14.176) 37.283 21.193 ( 3.152 -8.766 -7.377) 11.882 21.193 ( 3.152 -8.766 7.377) 11.882 24.421 ( 2.190 -7.575 -9.205) 12.121 24.421 ( 2.190 -7.575 9.205) 12.121 24.715 ( -2.853 -0.287 -6.386) 7.000 24.715 ( -2.853 -0.287 6.386) 7.000 26.765 ( -5.296 -3.699 -8.777) 10.898 26.765 ( -5.296 -3.699 8.777) 10.898 28.425 ( 5.175 -2.361 -9.143) 10.768 28.425 ( 5.175 -2.361 9.143) 10.768 33.984 ( 4.301 9.827 -23.042) 25.417 33.984 ( 4.301 9.827 23.042) 25.417 ======================= Grid point 705 (209/216) ======================= q-point: (-0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.215 ( 0.515 8.413 -8.360) 11.871 5.215 ( 0.515 8.413 8.360) 11.871 5.844 ( 1.397 0.875 -7.440) 7.620 5.844 ( 1.397 0.875 7.440) 7.620 6.211 ( 1.586 2.980 -10.251) 10.793 6.211 ( 1.586 2.980 10.251) 10.793 7.921 ( 16.091 -0.678 -17.717) 23.943 7.921 ( 16.091 -0.678 17.717) 23.943 8.680 ( -1.828 12.488 -11.771) 17.258 8.680 ( -1.828 12.488 11.771) 17.258 9.703 ( 14.208 -10.571 -26.105) 31.545 9.703 ( 14.208 -10.571 26.105) 31.545 10.161 ( -29.327 0.722 -14.875) 32.892 10.161 ( -29.327 0.722 14.875) 32.892 11.212 ( 0.456 2.733 -14.367) 14.632 11.212 ( 0.456 2.733 14.367) 14.632 11.942 ( -6.962 -15.566 -31.152) 35.514 11.942 ( -6.962 -15.566 31.152) 35.514 13.391 ( 6.494 6.953 -6.950) 11.782 13.391 ( 6.494 6.953 6.950) 11.782 16.575 ( 29.878 -9.895 -21.975) 38.387 16.575 ( 29.878 -9.895 21.975) 38.387 17.261 ( -29.279 13.061 -12.465) 34.398 17.261 ( -29.279 13.061 12.465) 34.398 21.311 ( 1.960 -2.522 -6.833) 7.542 21.311 ( 1.960 -2.522 6.833) 7.542 24.565 ( 2.128 -7.151 -10.709) 13.052 24.565 ( 2.128 -7.151 10.709) 13.052 24.678 ( -2.385 1.704 -6.380) 7.021 24.678 ( -2.385 1.704 6.380) 7.022 26.793 ( -2.935 -4.396 -6.274) 8.204 26.793 ( -2.935 -4.396 6.274) 8.204 28.507 ( 3.034 -2.623 -12.382) 13.015 28.507 ( 3.034 -2.623 12.382) 13.015 33.826 ( 0.993 11.926 -20.490) 23.729 33.826 ( 0.993 11.926 20.490) 23.729 ======================= Grid point 707 (210/216) ======================= q-point: (-0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.121 ( 0.000 3.078 -11.585) 11.987 5.121 ( 0.000 3.078 11.585) 11.987 5.809 ( 0.000 4.499 -10.829) 11.726 5.809 ( 0.000 4.499 10.829) 11.726 6.177 ( 0.000 2.298 -12.811) 13.015 6.177 ( 0.000 2.298 12.811) 13.015 8.034 ( -0.000 -0.925 -23.855) 23.873 8.034 ( -0.000 -0.925 23.855) 23.873 8.347 ( 0.000 21.896 -21.064) 30.383 8.347 ( 0.000 21.896 21.064) 30.383 9.771 ( 0.000 8.411 -5.813) 10.224 9.771 ( 0.000 8.411 5.813) 10.224 10.069 ( -0.000 -5.211 -43.989) 44.296 10.069 ( -0.000 -5.211 43.989) 44.296 11.162 ( 0.000 4.741 -20.659) 21.196 11.162 ( 0.000 4.741 20.659) 21.196 12.295 ( -0.000 -29.584 -25.484) 39.047 12.295 ( -0.000 -29.584 25.484) 39.047 13.260 ( 0.000 11.186 -10.323) 15.222 13.260 ( 0.000 11.186 10.323) 15.222 16.564 ( 0.000 25.591 -17.291) 30.885 16.564 ( 0.000 25.591 17.291) 30.885 17.316 ( -0.000 -32.428 -29.546) 43.870 17.316 ( -0.000 -32.428 29.546) 43.870 21.320 ( 0.000 2.254 -5.499) 5.943 21.320 ( 0.000 2.254 5.499) 5.943 24.605 ( 0.000 4.740 -7.751) 9.086 24.605 ( 0.000 4.740 7.751) 9.086 24.701 ( -0.000 -6.982 -13.302) 15.023 24.701 ( -0.000 -6.982 13.302) 15.023 26.849 ( -0.000 -3.763 -4.080) 5.550 26.849 ( -0.000 -3.763 4.080) 5.550 28.563 ( -0.000 -2.237 -15.837) 15.995 28.563 ( -0.000 -2.237 15.837) 15.995 33.624 ( 0.000 12.499 -17.239) 21.293 33.624 ( 0.000 12.499 17.239) 21.293 ======================= Grid point 721 (211/216) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.452 ( 9.808 0.000 -2.600) 10.146 5.452 ( 9.808 0.000 2.600) 10.146 5.792 ( -0.414 -0.000 -6.513) 6.526 5.792 ( -0.414 -0.000 6.513) 6.526 6.427 ( 12.916 0.000 -2.347) 13.127 6.427 ( 12.916 0.000 2.347) 13.127 7.314 ( 16.010 0.000 -0.369) 16.015 7.314 ( 16.010 0.000 0.369) 16.015 8.446 ( -12.870 -0.000 -18.602) 22.621 8.446 ( -12.871 -0.000 18.602) 22.621 8.838 ( 23.271 0.000 -4.108) 23.631 8.838 ( 23.271 0.000 4.108) 23.631 10.463 ( 7.866 0.000 -14.897) 16.846 10.463 ( 7.866 0.000 14.897) 16.846 11.453 ( -5.415 -0.000 -16.423) 17.292 11.453 ( -5.415 -0.000 16.423) 17.292 12.399 ( -28.465 -0.000 -0.651) 28.473 12.399 ( -28.465 -0.000 0.651) 28.473 13.025 ( 19.218 0.000 -9.192) 21.303 13.025 ( 19.218 0.000 9.192) 21.303 15.689 ( -11.623 -0.000 -28.174) 30.478 15.689 ( -11.623 -0.000 28.174) 30.478 19.298 ( -3.859 -0.000 -0.615) 3.908 19.298 ( -3.859 -0.000 0.615) 3.908 20.531 ( -1.444 -0.000 -7.144) 7.288 20.531 ( -1.444 -0.000 7.144) 7.288 24.168 ( 2.344 0.000 -0.266) 2.359 24.168 ( 2.344 0.000 0.266) 2.359 24.686 ( -3.657 -0.000 -0.525) 3.694 24.686 ( -3.657 -0.000 0.525) 3.694 26.734 ( -6.074 -0.000 -12.402) 13.810 26.734 ( -6.074 -0.000 12.402) 13.810 28.306 ( 6.458 0.000 -7.487) 9.887 28.306 ( 6.458 0.000 7.487) 9.887 34.178 ( 10.434 0.000 -27.420) 29.338 34.178 ( 10.434 0.000 27.420) 29.338 ======================= Grid point 723 (212/216) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.540 ( 7.219 0.782 -3.043) 7.872 5.540 ( 7.219 0.782 3.043) 7.872 5.783 ( -1.332 -0.543 -8.438) 8.560 5.783 ( -1.332 -0.543 8.438) 8.560 6.476 ( 7.089 5.903 -1.980) 9.435 6.476 ( 7.089 5.903 1.980) 9.435 7.530 ( 18.716 -6.157 -4.568) 20.226 7.530 ( 18.716 -6.157 4.568) 20.226 8.344 ( -20.084 -9.714 -18.635) 29.069 8.344 ( -20.084 -9.714 18.635) 29.069 9.150 ( 36.104 -0.427 -7.519) 36.881 9.150 ( 36.104 -0.427 7.519) 36.881 10.474 ( -7.369 0.839 -12.728) 14.731 10.474 ( -7.369 0.839 12.728) 14.731 11.360 ( -9.623 0.965 -8.887) 13.134 11.360 ( -9.623 0.965 8.887) 13.134 12.095 ( -22.943 5.383 -13.341) 27.081 12.095 ( -22.943 5.383 13.341) 27.081 13.270 ( 23.481 -2.312 -6.171) 24.388 13.270 ( 23.480 -2.312 6.171) 24.388 15.651 ( -10.157 -9.634 -35.831) 38.469 15.651 ( -10.157 -9.634 35.831) 38.469 18.985 ( -4.598 29.345 -9.315) 31.129 18.985 ( -4.598 29.345 9.315) 31.129 20.704 ( 0.458 -17.609 -7.974) 19.335 20.704 ( 0.458 -17.609 7.974) 19.335 24.219 ( 1.935 -3.599 -3.646) 5.476 24.219 ( 1.935 -3.599 3.646) 5.476 24.668 ( -2.767 -1.488 -2.680) 4.129 24.668 ( -2.767 -1.488 2.680) 4.129 26.690 ( -4.638 -0.936 -12.870) 13.712 26.690 ( -4.638 -0.936 12.870) 13.712 28.370 ( 5.175 -0.822 -7.405) 9.072 28.370 ( 5.175 -0.822 7.405) 9.072 34.226 ( 6.548 4.092 -27.732) 28.787 34.226 ( 6.548 4.092 27.732) 28.787 ======================= Grid point 725 (213/216) ======================= q-point: ( 0.55 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.521 ( 2.109 7.034 -3.297) 8.049 5.521 ( 2.109 7.034 3.297) 8.049 5.804 ( 0.072 -2.461 -8.607) 8.952 5.804 ( 0.072 -2.461 8.607) 8.952 6.394 ( 2.513 8.201 -4.515) 9.694 6.394 ( 2.513 8.201 4.515) 9.694 7.817 ( 15.691 -5.365 -12.651) 20.858 7.817 ( 15.691 -5.365 12.651) 20.858 8.434 ( -14.076 -21.751 -22.666) 34.424 8.434 ( -14.076 -21.751 22.667) 34.424 9.506 ( 38.509 1.019 -8.558) 39.461 9.506 ( 38.509 1.019 8.558) 39.461 10.247 ( -30.439 4.341 -4.662) 31.099 10.247 ( -30.439 4.341 4.662) 31.099 11.284 ( -1.140 1.728 -5.456) 5.836 11.284 ( -1.140 1.728 5.456) 5.836 11.834 ( -12.321 4.420 -28.453) 31.319 11.834 ( -12.321 4.420 28.453) 31.319 13.478 ( 12.738 -0.424 -4.226) 13.428 13.478 ( 12.738 -0.424 4.226) 13.428 15.847 ( -1.907 -21.233 -40.131) 45.442 15.847 ( -1.907 -21.233 40.131) 45.442 18.357 ( -4.879 38.818 -14.051) 41.570 18.357 ( -4.879 38.818 14.051) 41.570 21.006 ( 1.106 -16.157 -8.207) 18.156 21.006 ( 1.106 -16.157 8.207) 18.156 24.319 ( 1.166 -6.421 -7.070) 9.621 24.319 ( 1.166 -6.421 7.070) 9.621 24.676 ( -1.571 -1.642 -5.057) 5.544 24.676 ( -1.571 -1.642 5.057) 5.544 26.679 ( -2.619 -2.075 -11.904) 12.364 26.679 ( -2.619 -2.075 11.904) 12.364 28.430 ( 2.830 -1.685 -7.792) 8.459 28.430 ( 2.830 -1.685 7.792) 8.459 34.169 ( 2.812 8.006 -26.505) 27.830 34.169 ( 2.812 8.006 26.505) 27.830 ======================= Grid point 727 (214/216) ======================= q-point: (-0.36 -0.64 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.378 ( 0.000 10.256 -4.290) 11.117 5.378 ( 0.000 10.256 4.290) 11.117 5.842 ( -0.000 -1.587 -7.002) 7.180 5.842 ( -0.000 -1.587 7.002) 7.180 6.289 ( 0.000 5.574 -8.220) 9.932 6.289 ( 0.000 5.574 8.220) 9.932 7.957 ( -0.000 -3.129 -21.676) 21.901 7.957 ( -0.000 -3.129 21.676) 21.901 8.702 ( -0.000 -12.196 -19.920) 23.357 8.702 ( -0.000 -12.196 19.920) 23.357 9.824 ( 0.000 2.444 -19.935) 20.085 9.824 ( 0.000 2.444 19.935) 20.085 9.873 ( -0.000 -1.610 -5.458) 5.690 9.873 ( -0.000 -1.610 5.458) 5.690 11.255 ( 0.000 1.983 -9.504) 9.709 11.255 ( 0.000 1.983 9.504) 9.709 11.754 ( -0.000 -2.924 -35.776) 35.895 11.754 ( -0.000 -2.924 35.776) 35.895 13.512 ( 0.000 3.271 -5.890) 6.737 13.512 ( 0.000 3.271 5.890) 6.737 16.276 ( -0.000 -29.133 -38.471) 48.257 16.276 ( -0.000 -29.133 38.471) 48.257 17.669 ( 0.000 39.490 -16.933) 42.967 17.669 ( 0.000 39.490 16.933) 42.967 21.225 ( -0.000 -9.254 -7.903) 12.169 21.225 ( -0.000 -9.254 7.903) 12.169 24.445 ( -0.000 -7.890 -10.012) 12.747 24.445 ( -0.000 -7.890 10.012) 12.747 24.684 ( -0.000 -0.069 -6.739) 6.740 24.684 ( -0.000 -0.069 6.739) 6.740 26.712 ( -0.000 -3.513 -9.555) 10.180 26.712 ( -0.000 -3.513 9.555) 10.180 28.478 ( -0.000 -2.454 -9.678) 9.984 28.478 ( -0.000 -2.454 9.678) 9.984 34.024 ( 0.000 10.867 -24.058) 26.398 34.024 ( 0.000 10.867 24.058) 26.398 ======================= Grid point 747 (215/216) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.614 ( 6.360 0.000 -3.162) 7.102 5.614 ( 6.360 0.000 3.162) 7.102 5.755 ( -2.989 -0.000 -8.603) 9.108 5.755 ( -2.989 -0.000 8.603) 9.108 6.586 ( 3.984 0.000 -2.416) 4.660 6.586 ( 3.984 0.000 2.416) 4.660 7.651 ( 19.318 0.000 -7.744) 20.813 7.651 ( 19.318 0.000 7.744) 20.813 8.053 ( -22.200 -0.000 -15.064) 26.829 8.053 ( -22.200 -0.000 15.064) 26.829 9.504 ( 35.805 0.000 -7.912) 36.668 9.504 ( 35.805 0.000 7.912) 36.668 10.351 ( -20.610 -0.000 -8.307) 22.221 10.351 ( -20.610 -0.000 8.307) 22.221 11.315 ( -1.696 -0.000 -5.702) 5.949 11.315 ( -1.696 -0.000 5.702) 5.949 11.954 ( -14.828 -0.000 -11.289) 18.636 11.954 ( -14.828 -0.000 11.289) 18.636 13.455 ( 16.549 0.000 -1.386) 16.607 13.455 ( 16.549 0.000 1.386) 16.607 15.459 ( -9.062 -0.000 -43.998) 44.921 15.459 ( -9.062 -0.000 43.998) 44.921 19.246 ( -1.407 -0.000 -0.751) 1.595 19.246 ( -1.407 -0.000 0.751) 1.595 20.518 ( -0.235 -0.000 -7.729) 7.732 20.518 ( -0.235 -0.000 7.729) 7.732 24.204 ( 1.113 0.000 -1.382) 1.775 24.204 ( 1.113 0.000 1.382) 1.775 24.634 ( -1.507 -0.000 -0.178) 1.518 24.634 ( -1.507 -0.000 0.178) 1.518 26.649 ( -2.371 -0.000 -13.913) 14.113 26.649 ( -2.371 -0.000 13.913) 14.113 28.402 ( 2.854 0.000 -7.534) 8.056 28.402 ( 2.854 0.000 7.534) 8.056 34.309 ( 3.350 0.000 -28.901) 29.094 34.309 ( 3.350 0.000 28.901) 29.094 ======================= Grid point 749 (216/216) ======================= q-point: (-0.45 -0.55 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.623 ( 0.000 3.484 -6.736) 7.583 5.623 ( 0.000 3.484 6.736) 7.583 5.757 ( -0.000 -2.472 -11.250) 11.518 5.757 ( -0.000 -2.472 11.250) 11.518 6.542 ( 0.000 7.008 -3.264) 7.731 6.542 ( 0.000 7.008 3.264) 7.731 7.859 ( -0.000 -2.170 -9.545) 9.789 7.859 ( -0.000 -2.170 9.545) 9.789 7.991 ( -0.000 -16.571 -26.598) 31.337 7.991 ( -0.000 -16.571 26.598) 31.337 9.758 ( -0.000 -3.316 -7.619) 8.309 9.758 ( -0.000 -3.316 7.619) 8.309 10.133 ( 0.000 7.559 -3.749) 8.437 10.133 ( 0.000 7.559 3.749) 8.437 11.306 ( 0.000 0.887 -4.883) 4.963 11.306 ( 0.000 0.887 4.883) 4.963 11.842 ( 0.000 3.988 -21.849) 22.210 11.842 ( 0.000 3.988 21.849) 22.210 13.541 ( -0.000 -0.252 -2.865) 2.877 13.541 ( -0.000 -0.252 2.865) 2.877 15.527 ( -0.000 -13.457 -46.056) 47.982 15.527 ( -0.000 -13.457 46.056) 47.982 18.940 ( 0.000 31.300 -9.603) 32.740 18.940 ( 0.000 31.300 9.603) 32.740 20.709 ( -0.000 -18.566 -8.390) 20.374 20.709 ( -0.000 -18.566 8.390) 20.374 24.240 ( -0.000 -3.613 -3.954) 5.357 24.240 ( -0.000 -3.613 3.954) 5.357 24.640 ( -0.000 -1.462 -2.770) 3.132 24.640 ( -0.000 -1.462 2.770) 3.132 26.644 ( -0.000 -0.785 -13.609) 13.632 26.644 ( -0.000 -0.785 13.609) 13.632 28.423 ( -0.000 -0.799 -7.450) 7.492 28.423 ( -0.000 -0.799 7.450) 7.492 34.288 ( 0.000 4.397 -28.452) 28.790 34.288 ( 0.000 4.397 28.452) 28.790 =================== 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 3/43560 10.0 6553.811 3360.946 2304.769 0.000 0.000 0.000 3/43560 20.0 6167.165 6037.569 4770.974 0.000 0.000 0.000 3/43560 30.0 3294.460 3196.748 2929.437 0.000 0.000 0.000 3/43560 40.0 1444.579 1442.455 1389.251 0.000 0.000 0.000 3/43560 50.0 719.846 735.365 733.631 0.000 0.000 0.000 3/43560 60.0 420.466 433.867 441.982 0.000 0.000 0.000 3/43560 70.0 278.076 287.457 296.332 0.000 0.000 0.000 3/43560 80.0 201.333 207.483 215.383 0.000 0.000 0.000 3/43560 90.0 155.615 159.441 166.270 0.000 0.000 0.000 3/43560 100.0 126.133 128.327 134.305 0.000 0.000 0.000 3/43560 110.0 105.879 106.938 112.288 0.000 0.000 0.000 3/43560 120.0 91.237 91.511 96.406 0.000 0.000 0.000 3/43560 130.0 80.205 79.942 84.503 0.000 0.000 0.000 3/43560 140.0 71.609 70.984 75.292 0.000 0.000 0.000 3/43560 150.0 64.724 63.859 67.969 0.000 0.000 0.000 3/43560 160.0 59.084 58.064 62.014 0.000 0.000 0.000 3/43560 170.0 54.375 53.261 57.077 0.000 0.000 0.000 3/43560 180.0 50.382 49.215 52.914 0.000 0.000 0.000 3/43560 190.0 46.952 45.760 49.355 0.000 0.000 0.000 3/43560 200.0 43.971 42.774 46.274 0.000 0.000 0.000 3/43560 210.0 41.357 40.167 43.580 0.000 0.000 0.000 3/43560 220.0 39.046 37.870 41.203 0.000 0.000 0.000 3/43560 230.0 36.986 35.831 39.087 0.000 0.000 0.000 3/43560 240.0 35.141 34.008 37.192 0.000 0.000 0.000 3/43560 250.0 33.477 32.368 35.483 0.000 0.000 0.000 3/43560 260.0 31.969 30.884 33.935 0.000 0.000 0.000 3/43560 270.0 30.597 29.536 32.524 0.000 0.000 0.000 3/43560 280.0 29.342 28.304 31.233 0.000 0.000 0.000 3/43560 290.0 28.191 27.175 30.047 0.000 0.000 0.000 3/43560 300.0 27.132 26.136 28.953 0.000 0.000 0.000 3/43560 310.0 26.153 25.177 27.941 0.000 0.000 0.000 3/43560 320.0 25.246 24.288 27.001 0.000 0.000 0.000 3/43560 330.0 24.403 23.462 26.127 0.000 0.000 0.000 3/43560 340.0 23.618 22.693 25.310 0.000 0.000 0.000 3/43560 350.0 22.884 21.974 24.546 0.000 0.000 0.000 3/43560 360.0 22.197 21.302 23.830 0.000 0.000 0.000 3/43560 370.0 21.553 20.671 23.156 0.000 0.000 0.000 3/43560 380.0 20.947 20.077 22.522 0.000 0.000 0.000 3/43560 390.0 20.377 19.519 21.923 0.000 0.000 0.000 3/43560 400.0 19.838 18.991 21.357 0.000 0.000 0.000 3/43560 410.0 19.329 18.493 20.821 0.000 0.000 0.000 3/43560 420.0 18.846 18.021 20.312 0.000 0.000 0.000 3/43560 430.0 18.389 17.573 19.829 0.000 0.000 0.000 3/43560 440.0 17.954 17.148 19.369 0.000 0.000 0.000 3/43560 450.0 17.541 16.744 18.932 0.000 0.000 0.000 3/43560 460.0 17.147 16.359 18.514 0.000 0.000 0.000 3/43560 470.0 16.771 15.991 18.115 0.000 0.000 0.000 3/43560 480.0 16.412 15.641 17.734 0.000 0.000 0.000 3/43560 490.0 16.070 15.306 17.369 0.000 0.000 0.000 3/43560 500.0 15.741 14.986 17.019 0.000 0.000 0.000 3/43560 510.0 15.427 14.679 16.684 0.000 0.000 0.000 3/43560 520.0 15.125 14.385 16.362 0.000 0.000 0.000 3/43560 530.0 14.835 14.103 16.052 0.000 0.000 0.000 3/43560 540.0 14.557 13.831 15.755 0.000 0.000 0.000 3/43560 550.0 14.290 13.571 15.468 0.000 0.000 0.000 3/43560 560.0 14.032 13.320 15.193 0.000 0.000 0.000 3/43560 570.0 13.784 13.079 14.927 0.000 0.000 0.000 3/43560 580.0 13.545 12.846 14.670 0.000 0.000 0.000 3/43560 590.0 13.314 12.622 14.422 0.000 0.000 0.000 3/43560 600.0 13.091 12.406 14.183 0.000 0.000 0.000 3/43560 610.0 12.876 12.197 13.952 0.000 0.000 0.000 3/43560 620.0 12.668 11.995 13.728 0.000 0.000 0.000 3/43560 630.0 12.466 11.800 13.512 0.000 0.000 0.000 3/43560 640.0 12.272 11.612 13.302 0.000 0.000 0.000 3/43560 650.0 12.083 11.429 13.099 0.000 0.000 0.000 3/43560 660.0 11.900 11.252 12.902 0.000 0.000 0.000 3/43560 670.0 11.723 11.081 12.711 0.000 0.000 0.000 3/43560 680.0 11.551 10.915 12.526 0.000 0.000 0.000 3/43560 690.0 11.384 10.754 12.346 0.000 0.000 0.000 3/43560 700.0 11.222 10.597 12.171 0.000 0.000 0.000 3/43560 710.0 11.065 10.446 12.001 0.000 0.000 0.000 3/43560 720.0 10.912 10.298 11.836 0.000 0.000 0.000 3/43560 730.0 10.763 10.155 11.676 0.000 0.000 0.000 3/43560 740.0 10.619 10.016 11.520 0.000 0.000 0.000 3/43560 750.0 10.478 9.880 11.368 0.000 0.000 0.000 3/43560 760.0 10.341 9.748 11.219 0.000 0.000 0.000 3/43560 770.0 10.207 9.620 11.075 0.000 0.000 0.000 3/43560 780.0 10.077 9.495 10.935 0.000 0.000 0.000 3/43560 790.0 9.951 9.374 10.798 0.000 0.000 0.000 3/43560 800.0 9.827 9.255 10.664 0.000 0.000 0.000 3/43560 810.0 9.707 9.139 10.534 0.000 0.000 0.000 3/43560 820.0 9.589 9.027 10.407 0.000 0.000 0.000 3/43560 830.0 9.475 8.917 10.283 0.000 0.000 0.000 3/43560 840.0 9.363 8.810 10.162 0.000 0.000 0.000 3/43560 850.0 9.254 8.705 10.044 0.000 0.000 0.000 3/43560 860.0 9.147 8.603 9.928 0.000 0.000 0.000 3/43560 870.0 9.043 8.503 9.815 0.000 0.000 0.000 3/43560 880.0 8.941 8.406 9.705 0.000 0.000 0.000 3/43560 890.0 8.841 8.311 9.597 0.000 0.000 0.000 3/43560 900.0 8.744 8.218 9.492 0.000 0.000 0.000 3/43560 910.0 8.649 8.127 9.389 0.000 0.000 0.000 3/43560 920.0 8.555 8.038 9.288 0.000 0.000 0.000 3/43560 930.0 8.464 7.951 9.189 0.000 0.000 0.000 3/43560 940.0 8.375 7.865 9.092 0.000 0.000 0.000 3/43560 950.0 8.288 7.782 8.997 0.000 0.000 0.000 3/43560 960.0 8.202 7.701 8.905 0.000 0.000 0.000 3/43560 970.0 8.118 7.621 8.814 0.000 0.000 0.000 3/43560 980.0 8.036 7.542 8.725 0.000 0.000 0.000 3/43560 990.0 7.956 7.466 8.638 0.000 0.000 0.000 3/43560 1000.0 7.877 7.391 8.552 0.000 0.000 0.000 3/43560 Thermal conductivity related properties were written into "kappa-m111110.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:10:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|