----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:28:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.664792046286901 1.538518405258113 5.039117356666662 b -2.664792046286895 1.538518405258113 5.039117356666662 c 0.000000000000003 -3.077036810516230 5.039117356666662 Atomic positions (fractional): *1 F 0.92160547264582 0.22840977459177 0.62053328776724 18.998 2 F 0.62053328776725 0.92160547264582 0.22840977459177 18.998 3 F 0.22840977459177 0.62053328776724 0.92160547264582 18.998 4 F 0.77159022540823 0.37946671223276 0.07839452735418 18.998 5 F 0.37946671223276 0.07839452735418 0.77159022540823 18.998 6 F 0.07839452735418 0.77159022540823 0.37946671223275 18.998 *7 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 *8 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.329584092573796 0.000000000000000 0.000000000000000 b -2.664792046286898 4.615555215774343 0.000000000000000 c 0.000000000000000 0.000000000000000 15.117352070000001 Atomic positions (fractional): *1 F 0.66475596097754 0.63631622390103 0.25684951166828 18.998 > 1 2 F 0.36368377609897 0.02843973707651 0.25684951166828 18.998 > 2 3 F 0.97156026292349 0.33524403902246 0.25684951166828 18.998 > 3 4 F 0.69510640374317 0.99808929431087 0.07648382166506 18.998 > 4 5 F 0.30298289056770 0.30489359625683 0.07648382166506 18.998 > 5 6 F 0.00191070568913 0.69701710943230 0.07648382166506 18.998 > 6 7 F 0.33142262764421 0.96964955723437 0.59018284500161 18.998 > 1 8 F 0.03035044276563 0.36177307040984 0.59018284500161 18.998 > 2 9 F 0.63822692959016 0.66857737235579 0.59018284500161 18.998 > 3 10 F 0.36177307040984 0.33142262764421 0.40981715499839 18.998 > 4 11 F 0.96964955723437 0.63822692959016 0.40981715499839 18.998 > 5 12 F 0.66857737235579 0.03035044276563 0.40981715499839 18.998 > 6 13 F 0.99808929431087 0.30298289056770 0.92351617833495 18.998 > 1 14 F 0.69701710943230 0.69510640374317 0.92351617833495 18.998 > 2 15 F 0.30489359625683 0.00191070568913 0.92351617833495 18.998 > 3 16 F 0.02843973707651 0.66475596097754 0.74315048833172 18.998 > 4 17 F 0.63631622390103 0.97156026292349 0.74315048833172 18.998 > 5 18 F 0.33524403902246 0.36368377609897 0.74315048833172 18.998 > 6 *19 Hg 0.33333333333333 0.66666666666667 0.16666666666667 200.590 > 7 20 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 7 21 Hg 0.66666666666667 0.33333333333333 0.83333333333333 200.590 > 7 *22 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 8 23 Sn 0.66666666666667 0.33333333333333 0.33333333333333 118.710 > 8 24 Sn 0.33333333333333 0.66666666666667 0.66666666666667 118.710 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.659168185147593 0.000000000000000 0.000000000000000 b -5.329584092573796 9.231110431548686 0.000000000000000 c 0.000000000000000 0.000000000000000 15.117352070000001 Atomic positions (fractional): *1 F 0.33237798048877 0.31815811195052 0.25684951166828 18.998 > 1 2 F 0.83237798048877 0.31815811195052 0.25684951166828 18.998 > 1 3 F 0.33237798048877 0.81815811195052 0.25684951166828 18.998 > 1 4 F 0.83237798048877 0.81815811195052 0.25684951166828 18.998 > 1 5 F 0.18184188804948 0.01421986853825 0.25684951166828 18.998 > 2 6 F 0.68184188804948 0.01421986853825 0.25684951166828 18.998 > 2 7 F 0.18184188804948 0.51421986853825 0.25684951166828 18.998 > 2 8 F 0.68184188804948 0.51421986853825 0.25684951166828 18.998 > 2 9 F 0.48578013146175 0.16762201951123 0.25684951166828 18.998 > 3 10 F 0.98578013146175 0.16762201951123 0.25684951166828 18.998 > 3 11 F 0.48578013146175 0.66762201951123 0.25684951166828 18.998 > 3 12 F 0.98578013146175 0.66762201951123 0.25684951166828 18.998 > 3 13 F 0.34755320187159 0.49904464715544 0.07648382166506 18.998 > 4 14 F 0.84755320187159 0.49904464715544 0.07648382166506 18.998 > 4 15 F 0.34755320187159 0.99904464715544 0.07648382166506 18.998 > 4 16 F 0.84755320187159 0.99904464715544 0.07648382166506 18.998 > 4 17 F 0.15149144528385 0.15244679812841 0.07648382166506 18.998 > 5 18 F 0.65149144528385 0.15244679812841 0.07648382166506 18.998 > 5 19 F 0.15149144528385 0.65244679812841 0.07648382166506 18.998 > 5 20 F 0.65149144528385 0.65244679812841 0.07648382166506 18.998 > 5 21 F 0.00095535284456 0.34850855471615 0.07648382166506 18.998 > 6 22 F 0.50095535284456 0.34850855471615 0.07648382166506 18.998 > 6 23 F 0.00095535284456 0.84850855471615 0.07648382166506 18.998 > 6 24 F 0.50095535284456 0.84850855471615 0.07648382166506 18.998 > 6 25 F 0.16571131382210 0.48482477861718 0.59018284500161 18.998 > 1 26 F 0.66571131382210 0.48482477861718 0.59018284500161 18.998 > 1 27 F 0.16571131382210 0.98482477861718 0.59018284500161 18.998 > 1 28 F 0.66571131382210 0.98482477861718 0.59018284500161 18.998 > 1 29 F 0.01517522138282 0.18088653520492 0.59018284500161 18.998 > 2 30 F 0.51517522138282 0.18088653520492 0.59018284500161 18.998 > 2 31 F 0.01517522138282 0.68088653520492 0.59018284500161 18.998 > 2 32 F 0.51517522138282 0.68088653520492 0.59018284500161 18.998 > 2 33 F 0.31911346479508 0.33428868617790 0.59018284500161 18.998 > 3 34 F 0.81911346479508 0.33428868617790 0.59018284500161 18.998 > 3 35 F 0.31911346479508 0.83428868617790 0.59018284500161 18.998 > 3 36 F 0.81911346479508 0.83428868617790 0.59018284500161 18.998 > 3 37 F 0.18088653520492 0.16571131382210 0.40981715499839 18.998 > 4 38 F 0.68088653520492 0.16571131382210 0.40981715499839 18.998 > 4 39 F 0.18088653520492 0.66571131382210 0.40981715499839 18.998 > 4 40 F 0.68088653520492 0.66571131382210 0.40981715499839 18.998 > 4 41 F 0.48482477861718 0.31911346479508 0.40981715499839 18.998 > 5 42 F 0.98482477861718 0.31911346479508 0.40981715499839 18.998 > 5 43 F 0.48482477861718 0.81911346479508 0.40981715499839 18.998 > 5 44 F 0.98482477861718 0.81911346479508 0.40981715499839 18.998 > 5 45 F 0.33428868617790 0.01517522138282 0.40981715499839 18.998 > 6 46 F 0.83428868617790 0.01517522138282 0.40981715499839 18.998 > 6 47 F 0.33428868617790 0.51517522138282 0.40981715499839 18.998 > 6 48 F 0.83428868617790 0.51517522138282 0.40981715499839 18.998 > 6 49 F 0.49904464715544 0.15149144528385 0.92351617833495 18.998 > 1 50 F 0.99904464715544 0.15149144528385 0.92351617833495 18.998 > 1 51 F 0.49904464715544 0.65149144528385 0.92351617833495 18.998 > 1 52 F 0.99904464715544 0.65149144528385 0.92351617833495 18.998 > 1 53 F 0.34850855471615 0.34755320187159 0.92351617833495 18.998 > 2 54 F 0.84850855471615 0.34755320187159 0.92351617833495 18.998 > 2 55 F 0.34850855471615 0.84755320187159 0.92351617833495 18.998 > 2 56 F 0.84850855471615 0.84755320187159 0.92351617833495 18.998 > 2 57 F 0.15244679812841 0.00095535284456 0.92351617833495 18.998 > 3 58 F 0.65244679812841 0.00095535284456 0.92351617833495 18.998 > 3 59 F 0.15244679812841 0.50095535284456 0.92351617833495 18.998 > 3 60 F 0.65244679812841 0.50095535284456 0.92351617833495 18.998 > 3 61 F 0.01421986853825 0.33237798048877 0.74315048833172 18.998 > 4 62 F 0.51421986853825 0.33237798048877 0.74315048833172 18.998 > 4 63 F 0.01421986853825 0.83237798048877 0.74315048833172 18.998 > 4 64 F 0.51421986853825 0.83237798048877 0.74315048833172 18.998 > 4 65 F 0.31815811195052 0.48578013146175 0.74315048833172 18.998 > 5 66 F 0.81815811195052 0.48578013146175 0.74315048833172 18.998 > 5 67 F 0.31815811195052 0.98578013146175 0.74315048833172 18.998 > 5 68 F 0.81815811195052 0.98578013146175 0.74315048833172 18.998 > 5 69 F 0.16762201951123 0.18184188804948 0.74315048833172 18.998 > 6 70 F 0.66762201951123 0.18184188804948 0.74315048833172 18.998 > 6 71 F 0.16762201951123 0.68184188804948 0.74315048833172 18.998 > 6 72 F 0.66762201951123 0.68184188804948 0.74315048833172 18.998 > 6 *73 Hg 0.16666666666667 0.33333333333333 0.16666666666667 200.590 > 7 74 Hg 0.66666666666667 0.33333333333333 0.16666666666667 200.590 > 7 75 Hg 0.16666666666667 0.83333333333333 0.16666666666667 200.590 > 7 76 Hg 0.66666666666667 0.83333333333333 0.16666666666667 200.590 > 7 77 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 7 78 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 7 79 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 7 80 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 7 81 Hg 0.33333333333333 0.16666666666667 0.83333333333333 200.590 > 7 82 Hg 0.83333333333333 0.16666666666667 0.83333333333333 200.590 > 7 83 Hg 0.33333333333333 0.66666666666667 0.83333333333333 200.590 > 7 84 Hg 0.83333333333333 0.66666666666667 0.83333333333333 200.590 > 7 *85 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 8 86 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 8 87 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 8 88 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 8 89 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 8 90 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 8 91 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 8 92 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 8 93 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 8 94 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 8 95 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 8 96 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5996610 -0.0000000 0.0000000 0.0000000 2.5996610 0.0000000 0.0000000 0.0000000 2.7207333 -------------------------- Born effective charges -------------------------- 1 F -1.1643260 0.3594498 -0.4860481 0.2306105 -0.9415225 0.3196525 -0.4559263 0.3447621 -1.1393226 2 F -0.7417198 0.0133813 -0.0338031 -0.1154580 -1.3641287 -0.5807563 -0.0706096 -0.5672248 -1.1393226 3 F -1.2527269 -0.1795721 0.5198513 -0.3084115 -0.8531215 0.2611038 0.5265359 0.2224627 -1.1393226 4 F -1.2527269 -0.1795721 0.5198513 -0.3084115 -0.8531215 0.2611038 0.5265359 0.2224627 -1.1393226 5 F -0.7417198 0.0133813 -0.0338031 -0.1154580 -1.3641287 -0.5807563 -0.0706096 -0.5672248 -1.1393226 6 F -1.1643260 0.3594498 -0.4860481 0.2306105 -0.9415225 0.3196525 -0.4559263 0.3447621 -1.1393226 7 Hg 2.5189595 0.2392932 0.0000000 -0.2392932 2.5189595 -0.0000000 0.0000000 -0.0000000 2.7410235 8 Sn 3.7985859 -0.6258112 0.0000000 0.6258112 3.7985859 -0.0000000 0.0000000 -0.0000000 4.0949120 ---------------------------------------------------------------------------- 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: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 296 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.466 Solver_block: 160 / 160 - Time: 0.321 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.804 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 296 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:28:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:28:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.664792046286901 1.538518405258113 5.039117356666662 b -2.664792046286895 1.538518405258113 5.039117356666662 c 0.000000000000003 -3.077036810516230 5.039117356666662 Atomic positions (fractional): 1 F 0.92160547264582 0.22840977459177 0.62053328776724 18.998 2 F 0.62053328776725 0.92160547264582 0.22840977459177 18.998 3 F 0.22840977459177 0.62053328776724 0.92160547264582 18.998 4 F 0.77159022540823 0.37946671223276 0.07839452735418 18.998 5 F 0.37946671223276 0.07839452735418 0.77159022540823 18.998 6 F 0.07839452735418 0.77159022540823 0.37946671223275 18.998 7 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 8 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.659168185147593 0.000000000000000 0.000000000000000 b -5.329584092573796 9.231110431548686 0.000000000000000 c 0.000000000000000 0.000000000000000 15.117352070000001 Atomic positions (fractional): 1 F 0.33237798048877 0.31815811195052 0.25684951166828 18.998 > 1 2 F 0.83237798048877 0.31815811195052 0.25684951166828 18.998 > 1 3 F 0.33237798048877 0.81815811195052 0.25684951166828 18.998 > 1 4 F 0.83237798048877 0.81815811195052 0.25684951166828 18.998 > 1 5 F 0.18184188804948 0.01421986853825 0.25684951166828 18.998 > 5 6 F 0.68184188804948 0.01421986853825 0.25684951166828 18.998 > 5 7 F 0.18184188804948 0.51421986853825 0.25684951166828 18.998 > 5 8 F 0.68184188804948 0.51421986853825 0.25684951166828 18.998 > 5 9 F 0.48578013146175 0.16762201951123 0.25684951166828 18.998 > 9 10 F 0.98578013146175 0.16762201951123 0.25684951166828 18.998 > 9 11 F 0.48578013146175 0.66762201951123 0.25684951166828 18.998 > 9 12 F 0.98578013146175 0.66762201951123 0.25684951166828 18.998 > 9 13 F 0.34755320187159 0.49904464715544 0.07648382166506 18.998 > 13 14 F 0.84755320187159 0.49904464715544 0.07648382166506 18.998 > 13 15 F 0.34755320187159 0.99904464715544 0.07648382166506 18.998 > 13 16 F 0.84755320187159 0.99904464715544 0.07648382166506 18.998 > 13 17 F 0.15149144528385 0.15244679812841 0.07648382166506 18.998 > 17 18 F 0.65149144528385 0.15244679812841 0.07648382166506 18.998 > 17 19 F 0.15149144528385 0.65244679812841 0.07648382166506 18.998 > 17 20 F 0.65149144528385 0.65244679812841 0.07648382166506 18.998 > 17 21 F 0.00095535284456 0.34850855471615 0.07648382166506 18.998 > 21 22 F 0.50095535284456 0.34850855471615 0.07648382166506 18.998 > 21 23 F 0.00095535284456 0.84850855471615 0.07648382166506 18.998 > 21 24 F 0.50095535284456 0.84850855471615 0.07648382166506 18.998 > 21 25 F 0.16571131382210 0.48482477861718 0.59018284500161 18.998 > 1 26 F 0.66571131382210 0.48482477861718 0.59018284500161 18.998 > 1 27 F 0.16571131382210 0.98482477861718 0.59018284500161 18.998 > 1 28 F 0.66571131382210 0.98482477861718 0.59018284500161 18.998 > 1 29 F 0.01517522138282 0.18088653520492 0.59018284500161 18.998 > 5 30 F 0.51517522138282 0.18088653520492 0.59018284500161 18.998 > 5 31 F 0.01517522138282 0.68088653520492 0.59018284500161 18.998 > 5 32 F 0.51517522138282 0.68088653520492 0.59018284500161 18.998 > 5 33 F 0.31911346479508 0.33428868617790 0.59018284500161 18.998 > 9 34 F 0.81911346479508 0.33428868617790 0.59018284500161 18.998 > 9 35 F 0.31911346479508 0.83428868617790 0.59018284500161 18.998 > 9 36 F 0.81911346479508 0.83428868617790 0.59018284500161 18.998 > 9 37 F 0.18088653520492 0.16571131382210 0.40981715499839 18.998 > 13 38 F 0.68088653520492 0.16571131382210 0.40981715499839 18.998 > 13 39 F 0.18088653520492 0.66571131382210 0.40981715499839 18.998 > 13 40 F 0.68088653520492 0.66571131382210 0.40981715499839 18.998 > 13 41 F 0.48482477861718 0.31911346479508 0.40981715499839 18.998 > 17 42 F 0.98482477861718 0.31911346479508 0.40981715499839 18.998 > 17 43 F 0.48482477861718 0.81911346479508 0.40981715499839 18.998 > 17 44 F 0.98482477861718 0.81911346479508 0.40981715499839 18.998 > 17 45 F 0.33428868617790 0.01517522138282 0.40981715499839 18.998 > 21 46 F 0.83428868617790 0.01517522138282 0.40981715499839 18.998 > 21 47 F 0.33428868617790 0.51517522138282 0.40981715499839 18.998 > 21 48 F 0.83428868617790 0.51517522138282 0.40981715499839 18.998 > 21 49 F 0.49904464715544 0.15149144528385 0.92351617833495 18.998 > 1 50 F 0.99904464715544 0.15149144528385 0.92351617833495 18.998 > 1 51 F 0.49904464715544 0.65149144528385 0.92351617833495 18.998 > 1 52 F 0.99904464715544 0.65149144528385 0.92351617833495 18.998 > 1 53 F 0.34850855471615 0.34755320187159 0.92351617833495 18.998 > 5 54 F 0.84850855471615 0.34755320187159 0.92351617833495 18.998 > 5 55 F 0.34850855471615 0.84755320187159 0.92351617833495 18.998 > 5 56 F 0.84850855471615 0.84755320187159 0.92351617833495 18.998 > 5 57 F 0.15244679812841 0.00095535284456 0.92351617833495 18.998 > 9 58 F 0.65244679812841 0.00095535284456 0.92351617833495 18.998 > 9 59 F 0.15244679812841 0.50095535284456 0.92351617833495 18.998 > 9 60 F 0.65244679812841 0.50095535284456 0.92351617833495 18.998 > 9 61 F 0.01421986853825 0.33237798048877 0.74315048833172 18.998 > 13 62 F 0.51421986853825 0.33237798048877 0.74315048833172 18.998 > 13 63 F 0.01421986853825 0.83237798048877 0.74315048833172 18.998 > 13 64 F 0.51421986853825 0.83237798048877 0.74315048833172 18.998 > 13 65 F 0.31815811195052 0.48578013146175 0.74315048833172 18.998 > 17 66 F 0.81815811195052 0.48578013146175 0.74315048833172 18.998 > 17 67 F 0.31815811195052 0.98578013146175 0.74315048833172 18.998 > 17 68 F 0.81815811195052 0.98578013146175 0.74315048833172 18.998 > 17 69 F 0.16762201951123 0.18184188804948 0.74315048833172 18.998 > 21 70 F 0.66762201951123 0.18184188804948 0.74315048833172 18.998 > 21 71 F 0.16762201951123 0.68184188804948 0.74315048833172 18.998 > 21 72 F 0.66762201951123 0.68184188804948 0.74315048833172 18.998 > 21 73 Hg 0.16666666666667 0.33333333333333 0.16666666666667 200.590 > 73 74 Hg 0.66666666666667 0.33333333333333 0.16666666666667 200.590 > 73 75 Hg 0.16666666666667 0.83333333333333 0.16666666666667 200.590 > 73 76 Hg 0.66666666666667 0.83333333333333 0.16666666666667 200.590 > 73 77 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 73 78 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 73 79 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 73 80 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 73 81 Hg 0.33333333333333 0.16666666666667 0.83333333333333 200.590 > 73 82 Hg 0.83333333333333 0.16666666666667 0.83333333333333 200.590 > 73 83 Hg 0.33333333333333 0.66666666666667 0.83333333333333 200.590 > 73 84 Hg 0.83333333333333 0.66666666666667 0.83333333333333 200.590 > 73 85 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 85 86 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 85 87 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 85 88 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 85 89 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 85 90 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 85 91 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 85 92 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 85 93 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 85 94 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 85 95 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 85 96 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5996610 -0.0000000 0.0000000 0.0000000 2.5996610 0.0000000 0.0000000 0.0000000 2.7207333 -------------------------- Born effective charges -------------------------- 1 F -1.1643260 0.3594498 -0.4860481 0.2306105 -0.9415225 0.3196525 -0.4559263 0.3447621 -1.1393226 2 F -0.7417198 0.0133813 -0.0338031 -0.1154580 -1.3641287 -0.5807563 -0.0706096 -0.5672248 -1.1393226 3 F -1.2527269 -0.1795721 0.5198513 -0.3084115 -0.8531215 0.2611038 0.5265359 0.2224627 -1.1393226 4 F -1.2527269 -0.1795721 0.5198513 -0.3084115 -0.8531215 0.2611038 0.5265359 0.2224627 -1.1393226 5 F -0.7417198 0.0133813 -0.0338031 -0.1154580 -1.3641287 -0.5807563 -0.0706096 -0.5672248 -1.1393226 6 F -1.1643260 0.3594498 -0.4860481 0.2306105 -0.9415225 0.3196525 -0.4559263 0.3447621 -1.1393226 7 Hg 2.5189595 0.2392932 0.0000000 -0.2392932 2.5189595 -0.0000000 0.0000000 -0.0000000 2.7410235 8 Sn 3.7985859 -0.6258112 0.0000000 0.6258112 3.7985859 -0.0000000 0.0000000 -0.0000000 4.0949120 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xzy) -0.00000002 (xzy) -0.00000002 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000015 (xy) 0.00000015 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:29:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:29:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.664792046286901 1.538518405258113 5.039117356666662 b -2.664792046286895 1.538518405258113 5.039117356666662 c 0.000000000000003 -3.077036810516230 5.039117356666662 Atomic positions (fractional): 1 F 0.92160547264582 0.22840977459177 0.62053328776724 18.998 2 F 0.62053328776725 0.92160547264582 0.22840977459177 18.998 3 F 0.22840977459177 0.62053328776724 0.92160547264582 18.998 4 F 0.77159022540823 0.37946671223276 0.07839452735418 18.998 5 F 0.37946671223276 0.07839452735418 0.77159022540823 18.998 6 F 0.07839452735418 0.77159022540823 0.37946671223275 18.998 7 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 8 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.659168185147593 0.000000000000000 0.000000000000000 b -5.329584092573796 9.231110431548686 0.000000000000000 c 0.000000000000000 0.000000000000000 15.117352070000001 Atomic positions (fractional): 1 F 0.33237798048877 0.31815811195052 0.25684951166828 18.998 > 1 2 F 0.83237798048877 0.31815811195052 0.25684951166828 18.998 > 1 3 F 0.33237798048877 0.81815811195052 0.25684951166828 18.998 > 1 4 F 0.83237798048877 0.81815811195052 0.25684951166828 18.998 > 1 5 F 0.18184188804948 0.01421986853825 0.25684951166828 18.998 > 5 6 F 0.68184188804948 0.01421986853825 0.25684951166828 18.998 > 5 7 F 0.18184188804948 0.51421986853825 0.25684951166828 18.998 > 5 8 F 0.68184188804948 0.51421986853825 0.25684951166828 18.998 > 5 9 F 0.48578013146175 0.16762201951123 0.25684951166828 18.998 > 9 10 F 0.98578013146175 0.16762201951123 0.25684951166828 18.998 > 9 11 F 0.48578013146175 0.66762201951123 0.25684951166828 18.998 > 9 12 F 0.98578013146175 0.66762201951123 0.25684951166828 18.998 > 9 13 F 0.34755320187159 0.49904464715544 0.07648382166506 18.998 > 13 14 F 0.84755320187159 0.49904464715544 0.07648382166506 18.998 > 13 15 F 0.34755320187159 0.99904464715544 0.07648382166506 18.998 > 13 16 F 0.84755320187159 0.99904464715544 0.07648382166506 18.998 > 13 17 F 0.15149144528385 0.15244679812841 0.07648382166506 18.998 > 17 18 F 0.65149144528385 0.15244679812841 0.07648382166506 18.998 > 17 19 F 0.15149144528385 0.65244679812841 0.07648382166506 18.998 > 17 20 F 0.65149144528385 0.65244679812841 0.07648382166506 18.998 > 17 21 F 0.00095535284456 0.34850855471615 0.07648382166506 18.998 > 21 22 F 0.50095535284456 0.34850855471615 0.07648382166506 18.998 > 21 23 F 0.00095535284456 0.84850855471615 0.07648382166506 18.998 > 21 24 F 0.50095535284456 0.84850855471615 0.07648382166506 18.998 > 21 25 F 0.16571131382210 0.48482477861718 0.59018284500161 18.998 > 1 26 F 0.66571131382210 0.48482477861718 0.59018284500161 18.998 > 1 27 F 0.16571131382210 0.98482477861718 0.59018284500161 18.998 > 1 28 F 0.66571131382210 0.98482477861718 0.59018284500161 18.998 > 1 29 F 0.01517522138282 0.18088653520492 0.59018284500161 18.998 > 5 30 F 0.51517522138282 0.18088653520492 0.59018284500161 18.998 > 5 31 F 0.01517522138282 0.68088653520492 0.59018284500161 18.998 > 5 32 F 0.51517522138282 0.68088653520492 0.59018284500161 18.998 > 5 33 F 0.31911346479508 0.33428868617790 0.59018284500161 18.998 > 9 34 F 0.81911346479508 0.33428868617790 0.59018284500161 18.998 > 9 35 F 0.31911346479508 0.83428868617790 0.59018284500161 18.998 > 9 36 F 0.81911346479508 0.83428868617790 0.59018284500161 18.998 > 9 37 F 0.18088653520492 0.16571131382210 0.40981715499839 18.998 > 13 38 F 0.68088653520492 0.16571131382210 0.40981715499839 18.998 > 13 39 F 0.18088653520492 0.66571131382210 0.40981715499839 18.998 > 13 40 F 0.68088653520492 0.66571131382210 0.40981715499839 18.998 > 13 41 F 0.48482477861718 0.31911346479508 0.40981715499839 18.998 > 17 42 F 0.98482477861718 0.31911346479508 0.40981715499839 18.998 > 17 43 F 0.48482477861718 0.81911346479508 0.40981715499839 18.998 > 17 44 F 0.98482477861718 0.81911346479508 0.40981715499839 18.998 > 17 45 F 0.33428868617790 0.01517522138282 0.40981715499839 18.998 > 21 46 F 0.83428868617790 0.01517522138282 0.40981715499839 18.998 > 21 47 F 0.33428868617790 0.51517522138282 0.40981715499839 18.998 > 21 48 F 0.83428868617790 0.51517522138282 0.40981715499839 18.998 > 21 49 F 0.49904464715544 0.15149144528385 0.92351617833495 18.998 > 1 50 F 0.99904464715544 0.15149144528385 0.92351617833495 18.998 > 1 51 F 0.49904464715544 0.65149144528385 0.92351617833495 18.998 > 1 52 F 0.99904464715544 0.65149144528385 0.92351617833495 18.998 > 1 53 F 0.34850855471615 0.34755320187159 0.92351617833495 18.998 > 5 54 F 0.84850855471615 0.34755320187159 0.92351617833495 18.998 > 5 55 F 0.34850855471615 0.84755320187159 0.92351617833495 18.998 > 5 56 F 0.84850855471615 0.84755320187159 0.92351617833495 18.998 > 5 57 F 0.15244679812841 0.00095535284456 0.92351617833495 18.998 > 9 58 F 0.65244679812841 0.00095535284456 0.92351617833495 18.998 > 9 59 F 0.15244679812841 0.50095535284456 0.92351617833495 18.998 > 9 60 F 0.65244679812841 0.50095535284456 0.92351617833495 18.998 > 9 61 F 0.01421986853825 0.33237798048877 0.74315048833172 18.998 > 13 62 F 0.51421986853825 0.33237798048877 0.74315048833172 18.998 > 13 63 F 0.01421986853825 0.83237798048877 0.74315048833172 18.998 > 13 64 F 0.51421986853825 0.83237798048877 0.74315048833172 18.998 > 13 65 F 0.31815811195052 0.48578013146175 0.74315048833172 18.998 > 17 66 F 0.81815811195052 0.48578013146175 0.74315048833172 18.998 > 17 67 F 0.31815811195052 0.98578013146175 0.74315048833172 18.998 > 17 68 F 0.81815811195052 0.98578013146175 0.74315048833172 18.998 > 17 69 F 0.16762201951123 0.18184188804948 0.74315048833172 18.998 > 21 70 F 0.66762201951123 0.18184188804948 0.74315048833172 18.998 > 21 71 F 0.16762201951123 0.68184188804948 0.74315048833172 18.998 > 21 72 F 0.66762201951123 0.68184188804948 0.74315048833172 18.998 > 21 73 Hg 0.16666666666667 0.33333333333333 0.16666666666667 200.590 > 73 74 Hg 0.66666666666667 0.33333333333333 0.16666666666667 200.590 > 73 75 Hg 0.16666666666667 0.83333333333333 0.16666666666667 200.590 > 73 76 Hg 0.66666666666667 0.83333333333333 0.16666666666667 200.590 > 73 77 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 73 78 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 73 79 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 73 80 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 73 81 Hg 0.33333333333333 0.16666666666667 0.83333333333333 200.590 > 73 82 Hg 0.83333333333333 0.16666666666667 0.83333333333333 200.590 > 73 83 Hg 0.33333333333333 0.66666666666667 0.83333333333333 200.590 > 73 84 Hg 0.83333333333333 0.66666666666667 0.83333333333333 200.590 > 73 85 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 85 86 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 85 87 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 85 88 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 85 89 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 85 90 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 85 91 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 85 92 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 85 93 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 85 94 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 85 95 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 85 96 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5996610 -0.0000000 0.0000000 0.0000000 2.5996610 0.0000000 0.0000000 0.0000000 2.7207333 -------------------------- Born effective charges -------------------------- 1 F -1.1643260 0.3594498 -0.4860481 0.2306105 -0.9415225 0.3196525 -0.4559263 0.3447621 -1.1393226 2 F -0.7417198 0.0133813 -0.0338031 -0.1154580 -1.3641287 -0.5807563 -0.0706096 -0.5672248 -1.1393226 3 F -1.2527269 -0.1795721 0.5198513 -0.3084115 -0.8531215 0.2611038 0.5265359 0.2224627 -1.1393226 4 F -1.2527269 -0.1795721 0.5198513 -0.3084115 -0.8531215 0.2611038 0.5265359 0.2224627 -1.1393226 5 F -0.7417198 0.0133813 -0.0338031 -0.1154580 -1.3641287 -0.5807563 -0.0706096 -0.5672248 -1.1393226 6 F -1.1643260 0.3594498 -0.4860481 0.2306105 -0.9415225 0.3196525 -0.4559263 0.3447621 -1.1393226 7 Hg 2.5189595 0.2392932 0.0000000 -0.2392932 2.5189595 -0.0000000 0.0000000 -0.0000000 2.7410235 8 Sn 3.7985859 -0.6258112 0.0000000 0.6258112 3.7985859 -0.0000000 0.0000000 -0.0000000 4.0949120 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xzy) -0.00000002 (xzy) -0.00000002 (xyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.641 ( 0.000 0.000 0.000) 0.000 16.972 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -0.672 19.780 18.453) 27.060 0.354 ( 18.500 15.674 -19.495) 31.112 0.474 ( 21.710 -3.174 20.769) 30.212 2.419 ( -13.024 -1.514 -8.027) 15.373 2.564 ( -1.934 -15.261 -2.092) 15.525 2.984 ( 0.031 16.344 5.121) 17.127 3.053 ( 11.189 -5.003 6.875) 14.053 3.207 ( 0.017 0.791 -3.343) 3.436 4.151 ( -0.178 1.971 2.049) 2.848 4.360 ( 1.726 -0.475 -10.644) 10.793 5.478 ( -0.107 0.137 -1.679) 1.688 5.764 ( -6.302 -4.323 28.096) 29.117 6.951 ( -6.678 -4.270 0.247) 7.930 6.993 ( -5.981 -3.333 -1.292) 6.968 7.157 ( 2.578 2.131 3.078) 4.546 7.627 ( 5.512 3.520 -0.036) 6.540 7.881 ( 1.592 -0.354 0.998) 1.912 8.799 ( 3.592 3.053 -20.332) 20.871 12.131 ( 9.494 -1.247 4.041) 10.393 12.133 ( 3.997 9.512 2.675) 10.659 15.552 ( -2.825 -0.526 -4.506) 5.344 15.588 ( -4.323 -1.791 -0.489) 4.704 16.952 ( -1.454 -0.876 -0.570) 1.790 17.421 ( -1.511 -2.654 10.840) 11.262 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.369 19.315 17.851) 26.304 0.701 ( 17.418 14.679 -17.197) 28.542 0.916 ( 19.704 -3.262 18.347) 27.120 2.152 ( -11.251 -1.020 -5.272) 12.467 2.382 ( -1.251 -14.579 -0.753) 14.652 3.044 ( -5.346 -4.562 3.013) 7.647 3.181 ( 1.999 10.877 4.283) 11.859 3.283 ( 8.014 0.377 -5.434) 9.690 4.212 ( 1.799 4.620 2.694) 5.642 4.307 ( 0.223 -2.851 -5.972) 6.621 5.457 ( -0.988 0.533 -2.988) 3.191 5.796 ( -2.044 -1.878 15.561) 15.807 6.700 ( -11.828 -7.671 -0.090) 14.098 6.895 ( -3.600 -2.840 -1.259) 4.755 7.273 ( 4.554 3.300 5.352) 7.764 7.748 ( 4.201 3.740 -0.279) 5.631 7.918 ( 2.456 -0.930 1.587) 3.069 8.748 ( -0.371 1.351 -13.000) 13.075 12.379 ( 18.335 -1.147 2.050) 18.484 12.387 ( 6.058 16.057 10.116) 19.921 15.431 ( -5.123 -2.295 -8.477) 10.167 15.451 ( -9.136 -2.928 1.041) 9.650 16.903 ( -2.213 -1.452 -0.951) 2.812 17.436 ( 0.571 -2.520 5.170) 5.779 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.453 17.492 16.041) 23.738 1.022 ( 15.053 12.563 -13.540) 23.827 1.283 ( 15.054 -3.190 13.291) 20.333 1.974 ( -6.012 0.155 -1.901) 6.307 2.223 ( -1.220 -13.081 -0.108) 13.138 2.890 ( -5.034 -6.430 -2.987) 8.695 3.301 ( -0.634 3.205 3.387) 4.706 3.380 ( 4.071 5.349 -1.494) 6.886 4.235 ( -1.096 -0.503 -6.030) 6.149 4.338 ( 4.698 2.265 4.247) 6.726 5.423 ( -1.791 1.191 -2.939) 3.642 5.823 ( -2.316 -1.373 8.057) 8.495 6.449 ( -8.975 -6.242 2.597) 11.236 6.793 ( -3.170 -3.858 -1.923) 5.350 7.430 ( 5.606 2.929 6.356) 8.967 7.841 ( 2.413 3.739 0.972) 4.555 7.960 ( 2.375 -1.000 1.346) 2.907 8.653 ( -2.866 -0.168 -11.745) 12.090 12.736 ( 22.271 2.882 -3.593) 22.742 12.759 ( 8.251 15.632 18.927) 25.897 15.232 ( -5.802 -9.115 -7.792) 13.321 15.240 ( -13.839 1.021 -2.118) 14.037 16.843 ( -2.212 -1.560 -1.040) 2.899 17.450 ( 0.972 -2.399 3.019) 3.977 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.603 12.451 10.891) 16.553 1.295 ( 11.502 9.727 -7.604) 16.875 1.492 ( 5.369 -1.673 5.010) 7.531 1.935 ( 1.059 -1.381 0.307) 1.767 2.094 ( -0.382 -9.224 2.411) 9.542 2.742 ( -3.176 -4.491 -3.305) 6.417 3.282 ( -1.958 -2.601 0.210) 3.262 3.497 ( 1.795 7.142 1.027) 7.435 4.180 ( -1.224 -0.331 -3.361) 3.593 4.463 ( 4.556 1.756 2.794) 5.625 5.388 ( -2.135 1.437 -1.714) 3.092 5.762 ( -4.493 -3.141 -0.073) 5.483 6.339 ( -3.078 -1.303 6.800) 7.577 6.693 ( -2.095 -4.196 -2.665) 5.394 7.577 ( 4.590 1.118 4.954) 6.845 7.936 ( 3.448 3.840 3.426) 6.194 7.992 ( 0.897 0.266 1.671) 1.915 8.507 ( -4.689 -2.034 -11.536) 12.618 13.121 ( 19.805 5.781 -5.478) 21.346 13.174 ( 9.527 11.779 20.596) 25.568 14.975 ( -6.430 -9.519 -10.555) 15.600 14.987 ( -14.653 -0.156 -0.394) 14.659 16.790 ( -1.607 -1.181 -0.807) 2.151 17.458 ( 0.741 -1.761 1.655) 2.528 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.600 4.254 3.482) 5.530 1.492 ( 4.945 2.441 -0.348) 5.525 1.543 ( 0.904 3.459 -0.972) 3.705 1.878 ( -1.526 -5.786 -0.823) 6.041 2.108 ( 2.549 -0.871 3.006) 4.037 2.666 ( -0.795 -1.330 -1.271) 2.004 3.221 ( -1.585 -1.522 -0.401) 2.233 3.578 ( 0.925 2.675 0.531) 2.880 4.149 ( -0.690 0.108 -0.996) 1.216 4.545 ( 1.949 0.560 1.089) 2.301 5.363 ( -1.120 0.727 -0.403) 1.394 5.662 ( -2.197 -1.943 -1.338) 3.224 6.354 ( -0.408 0.870 4.034) 4.147 6.618 ( -0.762 -2.332 -1.853) 3.075 7.653 ( 1.505 -0.005 1.577) 2.180 8.003 ( 1.164 -0.739 -0.442) 1.448 8.093 ( 3.606 5.298 8.401) 10.567 8.325 ( -4.924 -3.533 -9.983) 11.679 13.405 ( 9.124 3.356 -2.862) 10.134 13.502 ( 5.298 5.189 10.771) 13.077 14.743 ( -4.286 -3.570 -7.936) 9.700 14.778 ( -7.071 -2.051 1.578) 7.530 16.760 ( -0.587 -0.439 -0.305) 0.793 17.461 ( 0.267 -0.649 0.533) 0.881 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.121 ( 11.219 8.276 -2.362) 14.140 0.164 ( 12.662 4.620 6.252) 14.859 0.726 ( -4.371 22.769 20.538) 30.973 2.564 ( 1.433 -8.484 3.982) 9.481 2.700 ( -16.437 7.905 -13.167) 22.495 2.756 ( 4.664 -11.482 7.098) 14.282 2.897 ( 6.666 5.874 -3.516) 9.555 3.317 ( 0.337 1.575 2.568) 3.032 4.133 ( 2.758 -0.397 -0.280) 2.801 4.351 ( -2.004 7.302 -6.265) 9.828 5.466 ( 0.390 -1.304 -1.505) 2.029 5.951 ( -1.114 -20.342 33.777) 39.445 6.944 ( 0.096 -7.027 -0.586) 7.052 7.031 ( 1.859 -5.728 3.002) 6.728 7.126 ( -1.616 1.226 -0.230) 2.042 7.639 ( 0.599 6.672 1.186) 6.803 7.846 ( -1.708 -0.037 -2.787) 3.269 8.683 ( 1.457 15.812 -24.472) 29.172 12.043 ( 0.010 -0.014 0.041) 0.045 12.278 ( 0.632 15.382 12.589) 19.886 15.588 ( 2.341 -0.155 -0.330) 2.369 15.622 ( 0.148 1.041 -2.062) 2.314 16.943 ( -0.102 -2.318 -1.578) 2.806 17.407 ( -2.415 -13.446 8.850) 16.277 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 17.103 15.228 -15.439) 27.618 0.567 ( 20.302 -2.866 16.446) 26.284 1.002 ( -2.332 19.907 19.099) 27.686 2.357 ( -15.517 1.516 -4.452) 16.214 2.359 ( -10.201 -7.835 1.493) 12.949 2.886 ( 9.116 -12.529 2.612) 15.713 3.101 ( 10.339 3.237 -6.797) 12.789 3.335 ( -1.137 7.585 0.318) 7.676 4.195 ( 4.075 -0.741 -1.262) 4.330 4.332 ( -4.335 5.875 -0.240) 7.305 5.444 ( 0.362 -1.714 -2.879) 3.369 5.901 ( -3.258 -9.002 19.069) 21.337 6.848 ( -6.978 -8.508 2.199) 11.221 6.864 ( -6.415 -5.400 -0.569) 8.404 7.241 ( 7.544 2.376 2.607) 8.328 7.731 ( 2.304 4.401 0.587) 5.003 7.851 ( 3.007 0.221 -1.820) 3.521 8.714 ( 0.118 8.109 -14.120) 16.283 12.132 ( 10.204 0.049 0.214) 10.206 12.585 ( 2.971 21.316 17.453) 27.710 15.521 ( -9.180 0.257 -0.573) 9.201 15.576 ( -5.209 0.368 -1.083) 5.333 16.891 ( -0.407 -4.021 -2.835) 4.936 17.332 ( 4.322 -10.917 1.263) 11.809 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 16.634 13.303 -13.418) 25.173 0.962 ( 16.838 -0.656 13.845) 21.809 1.249 ( -0.633 13.150 15.537) 20.364 2.119 ( -11.250 5.954 -7.587) 14.818 2.166 ( -5.082 -11.714 6.466) 14.313 2.834 ( -0.069 -10.363 -2.187) 10.591 3.201 ( 5.478 -3.629 -1.528) 6.746 3.448 ( 2.718 9.083 -1.358) 9.577 4.201 ( 0.444 0.264 -5.974) 5.997 4.368 ( -0.186 4.938 6.180) 7.913 5.410 ( 0.474 -1.883 -5.118) 5.474 5.892 ( -1.995 -4.436 11.504) 12.490 6.607 ( -12.360 -3.930 5.477) 14.079 6.742 ( -1.025 -9.201 -2.518) 9.594 7.411 ( 5.966 4.210 3.486) 8.091 7.803 ( 4.580 -0.913 -1.540) 4.917 7.914 ( 2.403 2.360 2.783) 4.369 8.671 ( -3.933 5.241 -11.019) 12.820 12.382 ( 18.270 0.162 0.430) 18.275 12.985 ( 3.627 24.319 19.973) 31.678 15.302 ( -13.107 -3.819 -1.136) 13.699 15.443 ( -9.984 1.659 -2.983) 10.551 16.826 ( -0.017 -4.308 -3.067) 5.289 17.330 ( 6.467 -8.957 -1.380) 11.134 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 14.419 9.831 -10.424) 20.328 1.259 ( 6.854 2.703 9.280) 11.849 1.409 ( 2.965 1.497 7.553) 8.251 2.001 ( -6.681 6.736 -3.313) 10.049 2.043 ( -1.362 -8.119 6.524) 10.504 2.720 ( -1.527 -5.672 -1.338) 6.024 3.217 ( 2.704 -5.893 -0.259) 6.489 3.531 ( 0.918 3.007 -2.491) 4.011 4.194 ( 0.032 4.410 -4.186) 6.080 4.461 ( 1.608 3.070 6.253) 7.149 5.359 ( 0.920 -2.776 -8.319) 8.818 5.844 ( -5.974 -2.584 5.837) 8.743 6.466 ( -6.736 -0.502 9.837) 11.933 6.621 ( -0.018 -9.123 -3.436) 9.748 7.553 ( 3.900 3.095 2.742) 5.684 7.854 ( 5.517 -3.759 -2.506) 7.130 8.016 ( 2.442 4.775 6.705) 8.586 8.555 ( -7.157 3.599 -10.202) 12.971 12.742 ( 22.553 0.281 0.600) 22.562 13.394 ( 1.961 22.682 19.229) 29.801 15.013 ( -12.524 -6.135 -3.072) 14.280 15.237 ( -13.839 1.947 -3.248) 14.348 16.773 ( 0.259 -3.476 -2.423) 4.245 17.350 ( 6.322 -7.318 -2.293) 9.939 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.653 -0.323 -3.098) 3.182 1.377 ( 8.241 1.136 -2.046) 8.567 1.492 ( 4.502 -2.629 -0.453) 5.233 1.953 ( -5.419 6.173 2.750) 8.662 2.070 ( 3.336 -0.107 4.917) 5.943 2.674 ( -0.599 -0.434 1.983) 2.116 3.184 ( 1.055 -5.090 -1.553) 5.425 3.525 ( 1.871 -4.624 -2.755) 5.698 4.220 ( -2.479 6.875 -1.037) 7.381 4.550 ( 1.379 2.033 5.286) 5.829 5.290 ( 2.241 -3.733 -11.424) 12.226 5.747 ( -6.360 -0.113 5.499) 8.409 6.424 ( -4.235 -2.106 4.533) 6.551 6.559 ( 2.406 -4.080 1.195) 4.885 7.634 ( 2.073 0.676 1.457) 2.622 7.888 ( 5.239 -4.647 -2.930) 7.591 8.172 ( 3.039 6.814 8.977) 11.673 8.383 ( -9.012 2.163 -9.067) 12.965 13.133 ( 21.190 0.275 0.929) 21.212 13.655 ( -4.794 11.244 11.023) 16.459 14.786 ( -6.534 0.405 -0.172) 6.549 14.986 ( -14.900 1.283 -1.984) 15.087 16.740 ( 0.743 -2.274 -1.572) 2.863 17.371 ( 5.605 -5.810 -2.954) 8.597 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -2.689 -9.428 -7.186) 12.156 1.474 ( 3.552 -2.287 -2.989) 5.175 1.502 ( 1.207 -3.866 1.479) 4.311 1.995 ( -2.299 12.433 2.311) 12.853 2.130 ( -0.154 0.871 0.379) 0.962 2.696 ( -0.373 1.943 4.340) 4.770 3.167 ( 3.163 -2.699 -2.113) 4.664 3.482 ( 3.078 -9.112 -2.376) 9.907 4.223 ( -4.120 5.817 0.858) 7.180 4.590 ( -2.015 1.179 3.169) 3.936 5.253 ( 5.089 -2.724 -9.510) 11.124 5.714 ( -2.471 1.619 5.814) 6.521 6.343 ( -2.249 -2.921 -1.509) 3.984 6.605 ( 2.612 -0.615 3.708) 4.577 7.661 ( 0.173 0.360 -0.403) 0.567 7.904 ( 4.380 -5.067 -3.580) 7.594 8.170 ( -9.470 0.949 -5.846) 11.170 8.373 ( 3.533 6.768 9.313) 12.042 13.421 ( 8.213 -1.731 3.920) 9.264 13.537 ( -11.497 -4.269 -6.372) 13.821 14.770 ( -7.713 1.151 -0.911) 7.852 14.853 ( 0.882 12.169 9.796) 15.646 16.736 ( 1.546 -1.156 -0.845) 2.107 17.389 ( 4.787 -4.549 -3.826) 7.632 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -2.638 -13.573 -11.447) 17.950 1.393 ( -5.458 -8.512 5.855) 11.685 1.520 ( 0.799 0.600 -1.635) 1.916 2.032 ( -7.143 5.115 -5.928) 10.598 2.163 ( 2.121 10.028 1.496) 10.359 2.757 ( 1.668 2.849 5.099) 6.074 3.178 ( 4.355 -7.312 -4.389) 9.575 3.445 ( 2.237 -4.241 -0.212) 4.799 4.223 ( -2.070 3.994 2.033) 4.937 4.538 ( -5.723 -0.261 0.593) 5.759 5.293 ( 6.034 -1.364 -3.440) 7.078 5.745 ( 0.920 0.691 2.543) 2.791 6.302 ( 0.402 1.573 -2.082) 2.641 6.664 ( 3.588 -1.584 1.813) 4.321 7.631 ( -3.978 1.705 -4.142) 5.991 7.883 ( 1.335 -4.288 -4.732) 6.524 8.016 ( -4.691 -1.503 -0.442) 4.945 8.553 ( 3.153 5.672 9.496) 11.502 13.136 ( -14.766 -13.574 -7.549) 21.431 13.431 ( -11.079 1.488 -1.261) 11.250 14.773 ( 8.079 -0.997 1.549) 8.287 15.102 ( 2.369 15.796 11.602) 19.742 16.759 ( 2.484 -0.378 -0.402) 2.544 17.397 ( 3.992 -3.716 -4.989) 7.391 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -3.993 -14.702 -12.565) 19.748 1.210 ( -11.028 -10.850 12.057) 19.614 1.464 ( -8.417 3.431 -8.179) 12.228 1.933 ( -1.189 2.806 -5.073) 5.918 2.334 ( 2.697 12.670 2.171) 13.135 2.849 ( 3.405 -0.927 1.973) 4.042 3.117 ( 4.874 -10.419 -5.962) 12.956 3.465 ( -1.210 2.643 2.095) 3.583 4.257 ( 0.278 1.355 3.954) 4.189 4.415 ( -7.098 -0.417 -1.562) 7.279 5.371 ( 4.593 -0.766 1.458) 4.880 5.757 ( 0.799 -1.446 -3.501) 3.872 6.386 ( 5.448 6.616 -0.047) 8.571 6.721 ( 5.490 -3.394 0.003) 6.455 7.505 ( -8.185 1.733 -6.335) 10.494 7.833 ( -0.769 -1.883 -1.790) 2.710 7.960 ( -0.533 -3.169 0.473) 3.248 8.699 ( 2.194 3.720 8.461) 9.500 12.711 ( -13.297 -12.286 -8.696) 20.084 13.135 ( -22.177 0.690 0.018) 22.188 14.987 ( 15.056 -1.755 2.770) 15.409 15.349 ( 1.417 13.831 9.861) 17.045 16.805 ( 3.254 0.001 -0.263) 3.265 17.391 ( 3.223 -3.314 -6.205) 7.738 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -6.273 -9.212 -7.623) 13.503 0.953 ( -15.439 -12.606 16.494) 25.871 1.193 ( -18.304 5.087 -15.586) 24.573 2.023 ( 8.552 4.247 -0.768) 9.579 2.528 ( 2.970 13.504 3.915) 14.370 2.796 ( 3.490 -16.249 -8.466) 18.652 3.151 ( 4.659 2.623 -0.839) 5.412 3.438 ( -6.566 0.818 3.019) 7.273 4.231 ( -4.713 -4.287 3.520) 7.279 4.357 ( 0.071 4.145 -1.111) 4.292 5.443 ( 2.591 -0.270 3.261) 4.174 5.712 ( -0.266 -1.267 -6.715) 6.838 6.592 ( 9.825 6.421 0.934) 11.774 6.789 ( 7.109 -3.934 -0.854) 8.170 7.343 ( -8.173 1.120 -4.039) 9.185 7.790 ( -2.740 -0.494 0.078) 2.785 7.920 ( -0.622 -2.679 -1.096) 2.961 8.802 ( 1.367 1.816 6.562) 6.944 12.364 ( -10.478 -7.248 -5.549) 13.896 12.744 ( -23.214 0.127 0.612) 23.223 15.240 ( 13.972 -2.010 3.148) 14.462 15.531 ( 0.336 9.550 6.459) 11.534 16.863 ( 3.520 0.103 -0.250) 3.530 17.369 ( 2.399 -2.758 -6.589) 7.535 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( -8.251 12.952 11.679) 19.293 0.645 ( -18.076 -13.087 19.387) 29.561 0.795 ( -22.074 6.337 -18.782) 29.668 2.261 ( 12.733 5.936 0.502) 14.057 2.598 ( 4.898 -21.495 -14.208) 26.228 2.766 ( 2.894 16.541 8.367) 18.761 3.232 ( -1.033 7.032 -5.164) 8.786 3.278 ( -10.319 -7.840 6.133) 14.337 4.159 ( -2.314 -0.694 3.079) 3.914 4.391 ( 1.109 0.732 -2.329) 2.681 5.484 ( 0.582 -0.028 0.801) 0.991 5.668 ( -0.375 -0.087 -0.719) 0.816 6.818 ( 11.963 -1.744 0.445) 12.097 6.883 ( 6.544 0.996 -0.772) 6.664 7.216 ( -6.067 0.882 -0.124) 6.132 7.719 ( -5.759 0.392 0.526) 5.796 7.882 ( -0.635 -0.599 -1.376) 1.630 8.858 ( 0.948 0.039 1.302) 1.611 12.161 ( -6.993 0.173 0.012) 6.995 12.384 ( -18.673 -0.230 0.834) 18.693 15.446 ( 9.968 -1.535 2.307) 10.346 15.614 ( -0.072 1.731 0.721) 1.877 16.919 ( 2.937 -0.016 -0.189) 2.943 17.353 ( 1.513 -0.135 -2.884) 3.260 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( -17.641 -0.847 2.811) 17.884 0.333 ( -16.959 4.432 -2.618) 17.723 1.132 ( -4.422 19.705 17.880) 26.973 2.290 ( 15.643 -2.293 0.401) 15.815 2.647 ( 11.304 4.093 -3.029) 12.398 2.825 ( -12.321 -13.647 8.934) 20.442 3.098 ( -12.309 3.601 -11.369) 17.138 3.293 ( 2.935 3.865 0.859) 4.929 4.124 ( -2.308 -0.157 -0.598) 2.389 4.387 ( 2.599 5.582 -0.854) 6.217 5.415 ( 0.505 -3.504 -4.418) 5.661 5.924 ( 3.464 -9.526 19.769) 22.216 6.828 ( 6.000 -8.127 1.348) 10.191 6.895 ( 5.033 -4.319 0.967) 6.702 7.251 ( -6.560 3.442 3.747) 8.302 7.712 ( -1.416 5.321 -0.387) 5.520 7.890 ( -4.220 -1.349 -0.726) 4.490 8.674 ( 0.599 7.874 -15.601) 17.486 12.132 ( -10.358 -0.239 0.365) 10.367 12.563 ( -2.390 20.782 16.657) 26.741 15.442 ( 9.892 -2.596 -2.927) 10.638 15.574 ( 5.253 0.245 -0.627) 5.296 16.899 ( 0.508 -3.154 -2.334) 3.956 17.406 ( -5.229 -8.664 2.822) 10.506 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 9.564 9.817 -1.637) 13.803 0.335 ( 11.484 4.317 7.617) 14.441 1.348 ( -3.556 16.648 15.453) 22.991 2.436 ( -3.987 -8.484 3.670) 10.067 2.572 ( 0.336 -9.075 -0.393) 9.090 2.733 ( -9.614 4.567 -4.084) 11.400 2.953 ( 5.089 4.357 -4.168) 7.890 3.350 ( 2.552 0.356 -1.822) 3.156 4.137 ( 1.856 2.344 -1.313) 3.265 4.453 ( -1.642 5.416 1.773) 5.930 5.359 ( 2.139 -6.249 -5.287) 8.461 5.938 ( -0.580 -11.517 16.092) 19.797 6.763 ( -0.325 -9.241 0.214) 9.249 7.016 ( 0.511 -2.185 7.191) 7.533 7.152 ( -2.298 1.607 -0.321) 2.823 7.757 ( -1.556 1.312 -0.890) 2.221 7.835 ( 1.202 5.766 -2.308) 6.326 8.714 ( 1.597 8.582 -10.481) 13.640 12.045 ( 0.111 0.128 0.170) 0.240 12.900 ( 1.129 25.644 20.957) 33.137 15.581 ( 4.821 -0.537 0.464) 4.873 15.620 ( 0.186 1.226 -1.892) 2.262 16.815 ( -1.626 -7.458 -5.087) 9.173 17.209 ( -3.564 -10.941 0.089) 11.507 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 14.878 13.702 -11.116) 23.080 0.704 ( 19.154 -1.754 14.091) 23.844 1.497 ( -3.888 9.191 9.901) 14.058 2.223 ( -8.591 -10.177 6.869) 14.985 2.385 ( -14.419 8.187 -6.962) 17.983 2.701 ( 2.789 -6.691 0.710) 7.284 3.069 ( 5.940 -0.929 -1.958) 6.323 3.412 ( 5.584 1.621 -3.494) 6.784 4.172 ( 0.712 3.173 -4.227) 5.333 4.482 ( -2.451 4.647 5.402) 7.536 5.299 ( 2.902 -7.668 -6.691) 10.583 5.930 ( 0.227 -6.021 12.480) 13.858 6.650 ( -1.491 -9.626 -2.079) 9.960 6.850 ( -14.470 -1.384 6.743) 16.024 7.314 ( 10.674 2.127 2.113) 11.087 7.724 ( 0.479 -1.182 -3.096) 3.348 7.942 ( 2.221 6.716 2.077) 7.372 8.730 ( -2.234 6.508 -7.940) 10.507 12.140 ( 10.344 0.378 0.293) 10.355 13.329 ( 1.936 27.829 22.954) 36.126 15.526 ( -11.974 0.744 -0.654) 12.015 15.573 ( -5.319 0.043 0.012) 5.319 16.692 ( 3.679 -10.251 -7.137) 13.021 17.115 ( 4.063 -9.304 -2.299) 10.410 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 14.633 10.082 -10.020) 20.400 1.077 ( 17.043 -1.470 9.986) 19.808 1.484 ( -4.994 -2.773 0.432) 5.728 2.068 ( -4.632 -6.240 7.366) 10.708 2.243 ( -11.386 12.672 -1.485) 17.101 2.673 ( 0.831 -4.486 1.910) 4.946 3.110 ( 3.224 -4.724 -0.166) 5.722 3.474 ( 3.407 -1.990 -5.580) 6.834 4.206 ( 1.807 6.417 -3.877) 7.712 4.530 ( -0.868 3.003 6.570) 7.276 5.222 ( 2.438 -7.723 -9.280) 12.317 5.952 ( -2.521 -1.535 9.692) 10.132 6.504 ( -1.095 -10.182 -4.259) 11.092 6.671 ( -10.593 0.248 9.143) 13.995 7.508 ( 7.262 2.807 1.086) 7.861 7.715 ( 2.993 -3.219 -2.731) 5.175 8.065 ( 2.605 6.003 5.433) 8.505 8.668 ( -6.409 5.206 -7.246) 10.986 12.396 ( 18.335 0.549 0.506) 18.350 13.753 ( -0.608 26.022 21.903) 34.019 15.233 ( -18.397 -2.530 -0.240) 18.572 15.443 ( -10.015 1.534 -2.180) 10.364 16.656 ( 5.755 -7.359 -5.108) 10.647 17.108 ( 7.850 -9.393 -4.468) 13.031 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 11.930 3.984 -7.579) 14.685 1.300 ( -2.732 -7.476 -4.027) 8.920 1.354 ( 8.420 -3.129 0.880) 9.025 2.040 ( 0.746 -2.774 9.069) 9.513 2.204 ( -8.314 12.840 1.247) 15.347 2.693 ( 1.163 0.993 4.565) 4.815 3.090 ( 1.653 -6.060 -1.731) 6.515 3.417 ( 0.498 -7.582 -5.722) 9.512 4.307 ( 1.380 9.019 -1.253) 9.209 4.589 ( 0.805 1.351 6.712) 6.894 5.123 ( 2.204 -6.379 -12.259) 13.994 5.906 ( -7.227 -0.198 7.202) 10.205 6.386 ( 0.956 -8.522 -4.263) 9.577 6.607 ( -4.773 1.261 9.509) 10.714 7.615 ( 2.334 1.809 0.280) 2.967 7.732 ( 5.210 -4.151 -2.772) 7.216 8.222 ( 4.158 5.915 7.577) 10.474 8.533 ( -9.643 4.122 -6.700) 12.445 12.760 ( 22.532 0.476 0.876) 22.554 13.989 ( -10.946 13.352 12.873) 21.536 14.968 ( -10.282 4.463 3.739) 11.816 15.240 ( -13.914 1.563 -2.009) 14.145 16.662 ( 3.904 -4.059 -2.632) 6.217 17.134 ( 9.460 -9.311 -5.833) 14.499 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -4.533 -11.098 -8.300) 14.581 1.313 ( 9.286 -0.768 -5.976) 11.070 1.447 ( 3.134 -2.417 0.954) 4.071 2.117 ( 2.310 0.489 7.145) 7.525 2.221 ( -5.475 12.505 0.855) 13.678 2.758 ( -0.363 2.976 5.159) 5.967 3.051 ( 3.085 -5.216 -4.307) 7.435 3.314 ( 2.270 -10.483 -3.306) 11.224 4.364 ( -3.774 6.489 0.560) 7.528 4.657 ( -0.220 1.475 5.942) 6.126 5.059 ( 5.743 -3.214 -11.835) 13.542 5.823 ( -5.534 -1.073 5.541) 7.904 6.313 ( 0.396 -3.942 -2.912) 4.917 6.615 ( -1.479 -0.146 6.260) 6.434 7.650 ( 1.174 -0.042 0.515) 1.283 7.765 ( 4.473 -2.726 -3.350) 6.218 8.326 ( -9.076 2.161 -3.532) 9.976 8.426 ( 2.539 5.905 5.892) 8.720 13.153 ( 21.226 0.025 1.661) 21.291 13.763 ( -21.060 -3.948 -1.170) 21.459 14.987 ( -14.840 2.381 -2.496) 15.236 15.063 ( -0.775 15.511 13.539) 20.604 16.675 ( 2.784 -2.159 -1.470) 3.818 17.171 ( 9.286 -8.421 -6.376) 14.064 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -5.185 -9.126 -7.541) 12.924 1.376 ( 2.569 -4.382 -0.849) 5.150 1.471 ( 2.979 -1.807 1.137) 3.665 2.143 ( -4.125 1.812 -2.941) 5.380 2.278 ( -2.130 12.297 1.835) 12.614 2.802 ( 0.333 2.211 4.946) 5.428 2.991 ( 1.325 -11.110 -6.821) 13.104 3.319 ( 7.926 -3.011 0.532) 8.495 4.338 ( -4.840 4.078 0.934) 6.398 4.641 ( -5.125 -0.018 1.877) 5.457 5.130 ( 9.161 -0.169 -4.366) 10.149 5.768 ( -2.209 -2.403 3.350) 4.677 6.301 ( 1.211 1.837 -1.333) 2.573 6.610 ( -0.120 -3.021 1.845) 3.542 7.664 ( 0.077 -0.149 -0.631) 0.653 7.789 ( 2.776 -0.734 -3.381) 4.436 8.132 ( -10.390 0.102 -2.300) 10.642 8.590 ( 4.341 4.338 6.443) 8.898 13.303 ( -21.178 -9.122 -3.074) 23.263 13.450 ( 9.837 0.840 -0.134) 9.874 14.773 ( -8.254 0.435 -0.624) 8.289 15.318 ( 0.494 16.783 12.725) 21.068 16.698 ( 2.965 -1.492 -1.384) 3.597 17.206 ( 7.921 -6.773 -6.308) 12.182 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -7.295 -1.884 -1.651) 7.713 1.314 ( -4.572 -7.760 7.559) 11.758 1.516 ( 1.225 1.446 -2.211) 2.912 2.007 ( -8.036 3.083 -8.796) 12.307 2.398 ( 2.337 8.869 0.698) 9.198 2.797 ( -2.609 -11.066 -4.199) 12.120 2.920 ( 6.827 -0.092 0.551) 6.850 3.458 ( 5.997 1.795 1.877) 6.535 4.315 ( -2.655 2.697 1.819) 4.199 4.526 ( -7.221 -1.383 -0.916) 7.409 5.271 ( 7.642 0.045 1.532) 7.794 5.733 ( -0.863 -2.613 1.306) 3.046 6.376 ( 3.333 6.174 -0.522) 7.035 6.587 ( 2.921 -5.492 -1.663) 6.439 7.618 ( -4.856 0.259 -2.693) 5.559 7.809 ( 1.086 2.087 -3.002) 3.814 7.979 ( -5.410 -2.555 1.686) 6.217 8.722 ( 3.484 2.149 4.355) 5.977 12.859 ( -18.599 -6.138 -3.743) 19.940 13.448 ( -11.226 -0.047 1.406) 11.314 14.770 ( 8.063 -0.797 0.964) 8.159 15.530 ( -0.214 11.787 8.551) 14.563 16.733 ( 3.834 -1.202 -1.548) 4.306 17.233 ( 5.898 -4.264 -5.419) 9.073 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -8.445 10.769 9.345) 16.572 1.161 ( -10.690 -9.907 13.741) 20.031 1.427 ( -12.047 4.281 -10.609) 16.613 1.943 ( 3.339 4.367 -4.683) 7.222 2.463 ( 2.692 -10.192 -6.546) 12.409 2.676 ( 1.777 2.472 -1.619) 3.449 3.074 ( 6.825 3.964 1.537) 8.041 3.533 ( -1.119 0.368 2.579) 2.835 4.301 ( -3.567 -1.519 4.656) 6.059 4.395 ( -3.903 1.243 -4.928) 6.408 5.394 ( 5.040 -0.462 3.160) 5.966 5.704 ( -1.277 -0.936 1.668) 2.300 6.491 ( 5.553 0.248 -1.688) 5.810 6.624 ( 7.468 -0.099 -2.110) 7.761 7.487 ( -8.391 0.029 -0.848) 8.434 7.828 ( -0.593 3.900 -2.376) 4.605 7.908 ( -1.797 -3.031 2.330) 4.224 8.801 ( 2.590 -0.240 1.231) 2.877 12.528 ( -14.630 -0.325 0.023) 14.634 13.148 ( -22.385 -0.398 1.438) 22.435 14.983 ( 15.151 -1.485 2.023) 15.358 15.628 ( -0.668 2.903 1.489) 3.330 16.788 ( 4.414 -0.316 -0.955) 4.527 17.265 ( 3.859 -0.538 -2.974) 4.901 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -7.454 16.814 15.947) 24.343 0.932 ( -14.944 -9.174 17.499) 24.773 1.112 ( -19.730 6.104 -15.530) 25.841 2.113 ( 11.061 5.867 -1.353) 12.593 2.280 ( 1.583 -16.699 -10.102) 19.581 2.836 ( 7.009 8.530 2.015) 11.223 3.219 ( 3.949 4.341 -0.192) 5.872 3.437 ( -9.542 -4.329 2.840) 10.856 4.237 ( -3.798 0.254 4.084) 5.583 4.352 ( -0.270 -0.414 -6.136) 6.156 5.461 ( 1.971 -0.568 0.148) 2.057 5.709 ( -0.653 0.976 7.024) 7.122 6.571 ( 10.109 -6.487 -1.655) 12.125 6.780 ( 7.767 3.979 -1.686) 8.889 7.350 ( -7.674 -0.222 2.956) 8.226 7.818 ( -3.960 1.952 0.142) 4.417 7.887 ( -0.049 1.417 0.160) 1.427 8.816 ( 1.441 -2.315 -4.164) 4.978 12.364 ( -10.285 7.213 5.391) 13.670 12.751 ( -23.345 -0.765 1.510) 23.406 15.237 ( 14.039 -1.372 1.880) 14.231 15.578 ( -0.691 -7.034 -6.344) 9.498 16.858 ( 3.854 0.075 -0.289) 3.866 17.332 ( 2.891 3.701 1.668) 4.984 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -17.645 -6.012 11.057) 21.674 0.674 ( -19.656 6.695 -9.349) 22.772 1.450 ( -2.109 13.084 12.102) 17.947 2.074 ( 9.558 1.665 3.277) 10.240 2.479 ( 11.716 3.997 -0.455) 12.387 2.893 ( -3.454 -10.104 1.245) 10.751 3.135 ( -3.998 -2.957 -2.866) 5.740 3.365 ( -3.289 4.346 -3.985) 6.751 4.184 ( -3.552 1.291 -1.003) 3.910 4.390 ( 2.642 5.186 2.375) 6.286 5.340 ( -1.312 -5.405 -7.059) 8.987 5.888 ( 2.679 -6.523 10.336) 12.512 6.628 ( 11.653 -2.657 5.043) 12.972 6.799 ( 1.281 -6.424 0.186) 6.553 7.440 ( -5.692 6.573 6.555) 10.889 7.778 ( -2.785 1.836 -1.078) 3.505 7.939 ( -3.429 -2.024 0.533) 4.018 8.622 ( 2.998 4.662 -12.154) 13.358 12.384 ( -18.651 -0.310 0.447) 18.659 12.947 ( -3.968 23.229 18.704) 30.086 15.200 ( 10.026 -6.012 -5.460) 12.903 15.443 ( 10.088 0.077 0.103) 10.089 16.841 ( 0.809 -3.116 -2.564) 4.115 17.426 ( -4.176 -5.898 -0.024) 7.227 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -9.986 6.049 0.496) 11.686 0.441 ( -10.742 4.679 4.780) 12.655 1.594 ( -1.149 8.201 8.257) 11.695 2.302 ( 10.017 1.495 5.027) 11.307 2.565 ( -5.204 -8.681 -0.139) 10.122 2.774 ( 3.269 0.541 2.616) 4.222 3.032 ( -5.734 2.501 -10.059) 11.846 3.300 ( -2.016 -1.720 -2.144) 3.409 4.168 ( -1.588 4.497 0.660) 4.815 4.511 ( 2.391 5.597 2.519) 6.587 5.206 ( 0.660 -10.039 -8.167) 12.959 5.902 ( 1.538 -9.668 10.584) 14.417 6.702 ( -1.258 -7.045 1.262) 7.267 6.879 ( 12.255 -0.783 5.430) 13.427 7.364 ( -12.599 2.313 4.923) 13.723 7.780 ( -1.049 -0.149 -1.766) 2.060 7.875 ( -0.607 5.427 -1.804) 5.751 8.690 ( 3.953 7.080 -7.621) 11.128 12.135 ( -10.207 0.054 0.382) 10.214 13.288 ( -0.061 27.393 22.134) 35.218 15.373 ( 15.306 -2.147 -0.818) 15.477 15.576 ( 5.182 1.195 -1.525) 5.533 16.761 ( -3.141 -6.485 -4.958) 8.747 17.209 ( -8.437 -10.782 -2.288) 13.880 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 7.333 9.998 -0.284) 12.402 0.517 ( 9.335 4.417 8.186) 13.178 1.636 ( -2.703 -0.849 1.289) 3.112 2.312 ( -8.215 -8.544 3.766) 12.437 2.496 ( 3.511 1.305 4.937) 6.197 2.786 ( -9.772 6.018 -4.301) 12.256 2.970 ( 3.323 2.028 -3.174) 5.023 3.275 ( 5.035 -4.253 -3.589) 7.505 4.198 ( -0.985 5.337 -1.766) 5.708 4.585 ( -1.344 3.612 3.780) 5.398 5.093 ( 4.384 -11.672 -7.036) 14.316 5.914 ( 2.544 -6.229 10.372) 12.363 6.593 ( -2.925 -7.784 -1.268) 8.412 7.111 ( 1.648 0.407 9.952) 10.095 7.176 ( -4.549 0.946 -0.032) 4.647 7.715 ( -2.033 -0.656 -3.287) 3.920 7.982 ( 2.641 8.078 0.644) 8.523 8.765 ( 1.017 5.943 -4.956) 7.805 12.053 ( 0.257 0.358 0.336) 0.554 13.726 ( 1.585 29.261 23.991) 37.872 15.583 ( 6.880 -0.953 2.308) 7.319 15.626 ( 0.731 2.297 -2.871) 3.749 16.523 ( -6.407 -12.815 -8.540) 16.680 16.999 ( -1.853 -9.005 -3.066) 9.692 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 11.250 10.361 -6.725) 16.708 0.833 ( 16.323 -0.282 10.236) 19.269 1.493 ( -5.214 -9.850 -6.159) 12.733 2.145 ( -5.959 -4.975 4.725) 9.088 2.567 ( -7.573 11.563 3.514) 14.262 2.658 ( -3.735 0.243 1.229) 3.939 3.016 ( 2.914 -3.328 -0.136) 4.425 3.320 ( 6.459 -3.584 -6.748) 10.005 4.224 ( 0.429 6.011 -3.214) 6.830 4.599 ( -1.069 -0.433 4.274) 4.427 5.032 ( 4.079 -8.450 -6.233) 11.264 5.993 ( 3.099 -1.221 10.008) 10.547 6.430 ( -4.405 -8.836 -4.134) 10.704 6.935 ( -13.756 0.336 7.374) 15.611 7.373 ( 11.024 1.534 1.578) 11.241 7.670 ( -0.749 -0.225 -2.982) 3.083 8.108 ( 2.550 6.232 3.381) 7.535 8.771 ( -3.492 4.912 -4.255) 7.377 12.153 ( 10.527 0.556 0.307) 10.546 14.168 ( -0.698 27.585 23.079) 35.973 15.528 ( -15.140 1.255 -2.523) 15.400 15.579 ( -5.648 -0.873 2.294) 6.158 16.362 ( 10.407 -11.833 -8.424) 17.869 16.902 ( 2.643 -8.701 -4.920) 10.339 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 10.728 4.658 -6.346) 13.307 1.144 ( 14.526 -0.838 4.216) 15.149 1.239 ( -5.248 -11.800 -9.138) 15.820 2.075 ( -1.838 -2.025 6.590) 7.135 2.498 ( -10.797 9.854 1.775) 14.726 2.715 ( 2.087 3.216 6.275) 7.354 2.999 ( 0.894 -5.389 -2.328) 5.938 3.295 ( 1.139 -6.536 -6.490) 9.281 4.328 ( 4.960 8.161 -1.498) 9.667 4.601 ( 1.070 -3.766 3.746) 5.419 4.975 ( 1.154 -4.277 -6.984) 8.271 6.053 ( -4.554 -0.349 7.557) 8.831 6.264 ( 0.342 -7.292 -4.573) 8.614 6.790 ( -9.130 0.815 7.387) 11.773 7.552 ( 7.806 1.356 -0.429) 7.935 7.644 ( -0.138 -0.728 -1.789) 1.936 8.241 ( 3.964 4.378 5.333) 7.957 8.693 ( -7.745 4.103 -4.108) 9.679 12.413 ( 18.499 0.540 0.353) 18.510 14.419 ( -13.026 14.739 13.995) 24.141 15.248 ( -13.312 5.460 3.912) 14.911 15.451 ( -10.094 0.951 -0.603) 10.157 16.461 ( 12.718 -5.827 -3.713) 14.474 16.849 ( 6.373 -10.063 -7.261) 13.950 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -3.437 -8.958 -6.670) 11.685 1.109 ( 8.762 0.244 -6.645) 10.999 1.335 ( 8.025 -1.973 -0.257) 8.268 2.123 ( 2.325 0.827 7.585) 7.976 2.451 ( -6.932 8.216 3.482) 11.299 2.822 ( 0.314 4.709 3.323) 5.772 2.925 ( 1.648 -5.655 -5.118) 7.803 3.185 ( -0.864 -8.425 -3.050) 9.002 4.464 ( -0.152 5.637 0.540) 5.665 4.645 ( 6.739 -2.322 4.435) 8.395 4.907 ( 0.139 -1.115 -8.818) 8.889 5.924 ( -6.792 -5.541 2.051) 9.002 6.256 ( 1.710 0.232 -0.556) 1.813 6.714 ( -5.495 0.084 5.405) 7.709 7.629 ( 0.781 -1.884 -0.464) 2.092 7.666 ( 4.541 2.138 -1.358) 5.200 8.383 ( 4.217 2.149 4.543) 6.561 8.551 ( -9.488 3.473 -2.865) 10.502 12.777 ( 22.683 0.171 0.683) 22.694 14.135 ( -26.120 -2.942 0.173) 26.286 15.247 ( -13.803 2.115 -1.988) 14.105 15.329 ( -1.913 16.061 13.838) 21.286 16.577 ( 5.955 -1.936 -0.949) 6.333 16.849 ( 11.532 -10.408 -8.172) 17.553 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -4.530 -0.919 -1.157) 4.764 1.220 ( 8.617 -1.983 -4.546) 9.942 1.403 ( 3.873 -2.593 0.095) 4.662 2.198 ( -0.846 1.828 2.605) 3.293 2.457 ( -4.249 7.449 3.373) 9.215 2.761 ( -0.070 -6.634 -7.797) 10.238 2.944 ( -2.939 0.746 2.734) 4.083 3.148 ( 8.081 -2.826 -0.043) 8.561 4.450 ( -3.770 1.429 0.692) 4.091 4.722 ( -3.143 -1.188 2.414) 4.137 4.939 ( 10.428 1.768 -4.675) 11.564 5.794 ( -3.139 -5.639 2.132) 6.797 6.293 ( 1.153 3.948 -1.024) 4.239 6.644 ( -4.710 -1.863 1.926) 5.419 7.627 ( 1.382 -2.460 0.298) 2.837 7.746 ( 2.818 3.472 -1.605) 4.751 8.319 ( -11.335 0.764 -1.514) 11.461 8.564 ( 5.023 1.344 3.050) 6.028 13.168 ( 21.490 -0.505 1.393) 21.541 13.625 ( -25.967 -5.153 -2.435) 26.585 14.995 ( -15.383 0.892 -1.003) 15.441 15.543 ( -0.632 13.369 10.132) 16.787 16.614 ( 3.104 -2.494 -2.315) 4.606 16.938 ( 11.789 -5.466 -4.452) 13.736 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -5.707 8.766 6.852) 12.505 1.290 ( 3.718 -3.777 0.163) 5.302 1.458 ( 4.646 -0.638 0.832) 4.763 2.128 ( -7.839 1.927 -5.631) 9.842 2.468 ( -3.592 2.106 0.843) 4.249 2.638 ( 1.644 -9.945 -6.847) 12.185 2.933 ( -0.767 4.857 3.733) 6.174 3.335 ( 10.820 1.911 0.923) 11.026 4.407 ( -3.639 2.142 1.228) 4.397 4.607 ( -6.051 -3.688 -1.974) 7.356 5.138 ( 9.936 1.212 2.585) 10.338 5.730 ( -0.723 -3.978 2.695) 4.859 6.372 ( 3.265 6.635 -2.316) 7.749 6.540 ( -4.028 -3.819 -1.073) 5.653 7.622 ( 0.444 -2.679 0.332) 2.735 7.814 ( 1.501 5.161 -2.157) 5.792 8.121 ( -11.038 -0.443 1.116) 11.103 8.667 ( 5.264 -1.321 0.761) 5.480 13.162 ( -22.433 -1.756 -0.702) 22.512 13.461 ( 10.363 -1.258 2.339) 10.698 14.773 ( -8.610 0.281 -0.542) 8.631 15.656 ( -0.857 3.549 1.983) 4.155 16.639 ( 4.043 -1.240 -1.771) 4.585 17.068 ( 8.128 -0.120 -0.787) 8.166 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -5.992 14.918 12.494) 20.360 1.268 ( -3.201 -6.125 7.397) 10.123 1.525 ( 0.094 2.338 -2.686) 3.562 1.966 ( -6.159 3.468 -7.747) 10.487 2.312 ( -3.724 -13.239 -5.942) 14.982 2.638 ( 3.943 3.158 -2.075) 5.461 3.047 ( 4.049 6.313 3.253) 8.175 3.507 ( 5.788 0.828 1.335) 5.997 4.383 ( -3.350 1.295 3.276) 4.861 4.442 ( -5.783 -3.461 -4.788) 8.267 5.309 ( 6.888 -0.683 5.066) 8.577 5.720 ( 0.601 -1.490 3.004) 3.407 6.419 ( -1.658 -3.068 -3.071) 4.647 6.521 ( 6.218 5.390 -2.521) 8.607 7.580 ( -3.373 -2.198 1.230) 4.209 7.869 ( 0.079 6.270 -3.225) 7.051 7.973 ( -6.610 -1.373 4.234) 7.969 8.720 ( 4.273 -3.576 -2.485) 6.101 12.839 ( -17.564 4.477 3.549) 18.470 13.457 ( -11.065 -1.475 2.442) 11.426 14.766 ( 7.966 -0.504 0.439) 7.994 15.604 ( -0.737 -7.426 -7.024) 10.248 16.710 ( 4.482 1.012 0.139) 4.597 17.201 ( 5.061 3.902 1.855) 6.655 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -7.120 12.002 13.875) 19.679 1.161 ( -8.292 -3.851 12.207) 15.251 1.388 ( -14.352 4.833 -9.613) 17.937 1.996 ( 6.983 4.853 -1.837) 8.700 2.092 ( -1.573 -11.863 -6.418) 13.579 2.757 ( 7.201 3.032 -2.288) 8.142 3.203 ( 4.658 6.015 1.688) 7.793 3.530 ( -3.687 -3.312 2.572) 5.584 4.286 ( -2.766 -2.994 -4.012) 5.719 4.374 ( -3.595 2.179 1.420) 4.438 5.413 ( 3.413 -1.338 2.736) 4.575 5.755 ( 1.382 0.231 4.762) 4.964 6.375 ( 3.796 -5.160 -1.041) 6.490 6.679 ( 7.227 4.645 -3.012) 9.104 7.491 ( -6.345 -0.712 4.045) 7.559 7.892 ( -2.616 1.417 1.126) 3.181 7.923 ( -1.275 3.523 0.727) 3.817 8.712 ( 2.884 -4.750 -6.772) 8.760 12.700 ( -12.457 11.927 8.541) 19.246 13.151 ( -22.326 -1.547 2.310) 22.499 14.979 ( 15.178 -0.882 1.178) 15.249 15.427 ( -0.111 -13.631 -12.019) 18.173 16.794 ( 3.798 0.645 0.188) 3.857 17.339 ( 3.518 5.550 3.581) 7.483 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -15.052 -5.950 9.453) 18.744 1.004 ( -17.854 4.824 -6.819) 19.711 1.568 ( 1.873 2.060 3.132) 4.191 2.058 ( 3.781 9.531 6.782) 12.294 2.321 ( 11.249 3.360 1.547) 11.842 2.784 ( 4.118 -4.043 -4.686) 7.434 3.206 ( -8.458 -8.557 3.399) 12.503 3.393 ( -1.029 1.512 -5.595) 5.887 4.221 ( 1.782 3.734 0.226) 4.144 4.452 ( -2.323 3.966 2.411) 5.190 5.280 ( -3.705 -5.903 -7.906) 10.539 5.814 ( 3.916 -4.898 2.749) 6.847 6.475 ( 8.765 -1.019 9.115) 12.686 6.717 ( 1.828 -4.685 -0.570) 5.061 7.617 ( -1.684 6.296 5.223) 8.352 7.856 ( -6.570 0.082 1.770) 6.805 7.974 ( -2.291 -1.720 1.333) 3.160 8.518 ( 5.588 3.379 -10.872) 12.682 12.746 ( -23.077 0.022 0.029) 23.077 13.343 ( -2.991 20.679 17.273) 27.109 14.939 ( 8.750 -5.970 -5.636) 11.999 15.238 ( 14.007 -0.020 0.724) 14.026 16.784 ( 0.565 -2.691 -2.438) 3.675 17.429 ( -3.107 -4.986 -1.772) 6.136 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -14.755 1.713 1.547) 14.935 0.746 ( -15.571 3.785 3.328) 16.366 1.623 ( 2.874 -2.231 -0.052) 3.639 2.282 ( 4.736 8.689 9.538) 13.744 2.504 ( 5.288 -0.675 -1.865) 5.648 2.746 ( 1.135 -2.971 -2.248) 3.894 3.016 ( -3.848 -6.132 -1.405) 7.374 3.341 ( -3.120 -0.055 -5.452) 6.282 4.270 ( -2.593 5.602 2.271) 6.577 4.526 ( 3.519 5.461 2.636) 7.011 5.074 ( -3.974 -10.681 -9.267) 14.689 5.831 ( 2.550 -6.896 5.174) 8.991 6.667 ( -0.769 -6.583 0.204) 6.631 6.702 ( 11.623 0.413 7.743) 13.972 7.624 ( -9.498 1.506 6.325) 11.510 7.774 ( -1.400 -0.462 -2.502) 2.904 7.940 ( -1.800 5.198 0.101) 5.502 8.623 ( 6.552 5.662 -6.237) 10.672 12.387 ( -18.510 0.166 0.426) 18.516 13.666 ( 1.960 23.994 19.392) 30.913 15.086 ( 13.879 -0.919 -0.734) 13.928 15.450 ( 9.987 0.698 -0.294) 10.016 16.722 ( -1.824 -4.638 -4.086) 6.444 17.229 ( -8.385 -10.676 -4.624) 14.341 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -3.558 7.457 2.952) 8.774 0.615 ( -7.594 5.939 5.897) 11.301 1.587 ( 0.350 -8.853 -5.095) 10.221 2.367 ( -5.140 -6.669 2.119) 8.682 2.522 ( 2.161 5.585 6.675) 8.967 2.833 ( 4.992 3.443 0.096) 6.064 2.939 ( 2.370 -1.382 -7.529) 8.013 3.223 ( -5.921 -1.291 -3.381) 6.940 4.284 ( -2.989 5.722 -0.147) 6.458 4.643 ( 0.175 2.434 2.724) 3.658 4.876 ( 2.021 -11.143 -5.833) 12.739 5.855 ( 3.669 -5.185 7.109) 9.533 6.569 ( -2.882 -6.549 -1.067) 7.235 6.956 ( 12.475 1.220 4.823) 13.430 7.443 ( -14.177 -0.927 5.321) 15.171 7.722 ( -1.747 -1.190 -2.709) 3.437 8.028 ( 1.771 9.216 0.206) 9.386 8.748 ( 4.578 4.933 -2.951) 7.348 12.144 ( -10.146 0.351 0.498) 10.164 14.102 ( 4.705 26.542 21.693) 34.600 15.348 ( 16.164 -0.025 1.232) 16.211 15.584 ( 5.099 1.593 -1.752) 5.622 16.539 ( -10.254 -8.501 -6.166) 14.678 16.940 ( -6.053 -11.699 -5.637) 14.328 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 4.642 7.816 0.669) 9.115 0.695 ( 6.289 4.066 6.791) 10.109 1.400 ( -3.312 -13.460 -9.279) 16.681 2.216 ( -5.446 -4.822 1.911) 7.520 2.648 ( 1.677 2.883 6.930) 7.691 2.865 ( -3.639 4.978 -2.524) 6.663 2.957 ( -0.502 -1.106 -1.012) 1.580 3.150 ( 3.597 -0.178 -5.179) 6.308 4.273 ( -2.394 4.485 -3.822) 6.360 4.580 ( -0.418 -9.085 1.016) 9.151 4.889 ( 4.050 -0.629 -0.355) 4.114 5.954 ( 6.044 -1.060 8.285) 10.310 6.419 ( -5.465 -6.899 -3.443) 9.450 7.182 ( 2.931 0.637 -0.646) 3.068 7.235 ( -5.444 -0.003 8.147) 9.799 7.674 ( -1.344 0.101 -2.502) 2.842 8.146 ( 1.981 6.715 1.497) 7.159 8.823 ( 0.489 3.974 -1.846) 4.409 12.065 ( 0.296 0.424 0.363) 0.632 14.571 ( 2.381 26.798 22.311) 34.952 15.599 ( 7.702 -1.474 4.378) 8.981 15.639 ( 2.369 3.692 -4.946) 6.611 16.158 ( -11.926 -13.122 -7.906) 19.415 16.759 ( 0.139 -9.769 -6.303) 11.627 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 6.662 4.301 -3.590) 8.705 0.922 ( 12.481 -0.173 4.276) 13.195 1.149 ( -3.947 -11.072 -8.785) 14.675 2.128 ( -2.604 -1.756 3.657) 4.820 2.697 ( -2.581 1.320 1.883) 3.457 2.818 ( -6.058 5.489 4.226) 9.203 2.922 ( 1.300 -3.620 -2.626) 4.657 3.191 ( 2.168 -0.392 -4.363) 4.888 4.292 ( 4.055 3.791 -3.801) 6.728 4.522 ( 1.951 -7.891 1.910) 8.350 4.926 ( 0.461 0.690 -1.033) 1.325 6.115 ( 5.181 2.208 8.026) 9.804 6.208 ( -7.199 -7.524 -5.663) 11.853 7.012 ( -11.748 -0.313 4.872) 12.722 7.413 ( 9.627 1.396 0.432) 9.737 7.648 ( -0.793 0.918 -1.827) 2.193 8.246 ( 2.571 3.223 2.977) 5.085 8.815 ( -4.247 3.139 -1.929) 5.622 12.165 ( 10.595 0.365 0.102) 10.602 14.872 ( -11.545 16.246 14.840) 24.848 15.541 ( -12.048 5.864 -3.000) 13.731 15.594 ( -6.295 -1.921 5.469) 8.557 16.085 ( 18.561 -7.228 -5.351) 20.625 16.646 ( 2.009 -9.207 -7.064) 11.778 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 4.496 -3.282 -3.255) 6.448 0.996 ( -0.053 -0.223 -5.310) 5.315 1.137 ( 11.587 -2.440 -0.529) 11.853 2.146 ( 1.363 1.605 5.857) 6.224 2.632 ( -6.233 1.034 2.927) 6.963 2.828 ( 1.672 -3.516 -1.866) 4.318 2.886 ( -2.067 3.493 -1.062) 4.196 3.153 ( -2.687 -1.813 -0.804) 3.339 4.452 ( 11.563 2.923 -1.052) 11.973 4.499 ( 0.926 -3.801 1.578) 4.218 4.904 ( -2.351 0.255 -2.939) 3.772 5.971 ( -7.310 -6.884 -4.093) 10.843 6.257 ( 2.673 3.611 4.589) 6.422 6.861 ( -8.681 -0.312 3.473) 9.355 7.558 ( 5.625 0.638 -0.779) 5.715 7.648 ( 0.666 2.106 -0.538) 2.273 8.338 ( 4.326 -0.078 3.067) 5.304 8.720 ( -8.234 2.087 -2.103) 8.751 12.421 ( 18.600 0.078 -0.004) 18.600 14.577 ( -28.390 -2.647 -0.094) 28.513 15.459 ( -9.896 1.151 -0.828) 9.997 15.586 ( -2.316 12.193 10.368) 16.172 16.360 ( 18.760 -1.451 -0.729) 18.830 16.563 ( 3.340 -7.875 -6.682) 10.855 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.461 4.411 4.137) 6.066 1.036 ( 6.244 0.309 -4.609) 7.767 1.266 ( 8.227 -3.137 -2.337) 9.109 2.242 ( 1.384 3.235 4.832) 5.977 2.561 ( -2.830 -2.103 1.791) 3.955 2.720 ( -6.124 -3.101 -4.205) 8.050 2.969 ( 7.221 1.865 0.587) 7.481 3.082 ( -4.774 1.580 0.532) 5.056 4.482 ( 0.366 -3.108 1.986) 3.706 4.704 ( 10.435 3.428 3.404) 11.499 4.818 ( -2.334 -0.775 -6.754) 7.188 5.797 ( -3.830 -5.293 -1.315) 6.664 6.336 ( -0.160 5.223 1.550) 5.450 6.737 ( -6.853 -1.162 0.599) 6.977 7.597 ( 0.570 -0.472 0.163) 0.758 7.723 ( 3.635 3.750 -0.247) 5.228 8.416 ( 3.218 -2.328 1.818) 4.368 8.568 ( -8.136 0.235 -1.879) 8.353 12.780 ( 22.835 -0.459 0.290) 22.842 14.037 ( -28.304 -3.916 -1.603) 28.618 15.255 ( -14.082 0.413 -0.425) 14.095 15.684 ( -0.804 2.763 1.649) 3.317 16.524 ( 2.677 -2.023 -1.809) 3.812 16.675 ( 15.324 2.372 1.723) 15.602 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -1.980 11.423 9.252) 14.833 1.140 ( 8.516 -0.751 -3.496) 9.236 1.355 ( 6.719 -1.761 -0.426) 6.959 2.244 ( -6.089 1.908 -1.143) 6.483 2.498 ( -3.347 -8.485 -5.641) 10.725 2.571 ( -2.762 -0.730 4.610) 5.423 3.046 ( -3.958 6.333 1.153) 7.557 3.162 ( 11.853 2.804 -0.365) 12.186 4.473 ( -1.096 0.101 2.190) 2.451 4.641 ( -5.805 -5.845 -3.483) 8.944 4.990 ( 11.776 3.335 2.528) 12.497 5.716 ( -1.072 -3.570 1.331) 3.958 6.393 ( 0.442 6.964 -1.968) 7.251 6.603 ( -6.671 -2.096 -1.354) 7.122 7.600 ( 0.148 -0.644 1.069) 1.257 7.818 ( 2.832 4.635 -0.770) 5.486 8.323 ( -11.169 -0.618 1.767) 11.325 8.532 ( 5.851 -4.962 -2.436) 8.049 13.165 ( 21.706 -0.946 0.675) 21.737 13.558 ( -24.326 -0.415 1.226) 24.360 14.997 ( -15.480 0.135 -0.425) 15.486 15.622 ( -0.173 -8.907 -8.324) 12.192 16.573 ( 3.254 1.757 1.248) 3.903 16.956 ( 9.865 6.371 4.606) 12.614 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -2.721 12.656 10.222) 16.494 1.237 ( 4.555 -1.725 0.212) 4.875 1.468 ( 6.624 0.690 0.786) 6.706 2.096 ( -9.593 1.473 -4.987) 10.912 2.260 ( -7.381 -10.555 -3.849) 13.442 2.607 ( 1.981 1.380 1.207) 2.699 3.089 ( 0.362 6.644 1.469) 6.814 3.390 ( 10.204 3.359 0.094) 10.743 4.452 ( -5.567 -7.681 -3.676) 10.174 4.473 ( -1.982 2.190 2.255) 3.716 5.211 ( 8.465 0.683 5.852) 10.314 5.693 ( 0.806 -2.274 1.053) 2.633 6.444 ( -3.411 1.162 -5.271) 6.385 6.492 ( 0.524 3.900 -0.278) 3.945 7.601 ( -0.569 -0.459 1.876) 2.013 7.896 ( 1.481 5.260 -1.997) 5.818 8.142 ( -10.355 -0.996 4.449) 11.315 8.557 ( 6.062 -6.714 -5.014) 10.342 13.232 ( -18.568 6.824 3.345) 20.063 13.458 ( 10.512 -2.701 3.850) 11.516 14.771 ( -8.693 0.046 -0.484) 8.707 15.427 ( 0.185 -15.589 -14.000) 20.953 16.666 ( 3.418 2.496 1.919) 4.647 17.187 ( 5.796 7.449 5.173) 10.763 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -3.697 -3.382 7.144) 8.726 1.312 ( -1.499 10.620 7.240) 12.940 1.539 ( -2.534 2.334 -2.604) 4.318 1.955 ( -1.137 -1.346 -3.721) 4.117 2.045 ( -5.941 -3.039 -1.974) 6.959 2.669 ( 3.749 1.371 -1.269) 4.189 3.190 ( 3.670 4.424 0.742) 5.796 3.537 ( 2.664 1.278 1.461) 3.296 4.271 ( -3.968 -6.424 -4.133) 8.607 4.473 ( -2.784 2.899 2.688) 4.835 5.355 ( 4.567 -1.298 5.227) 7.061 5.710 ( 3.282 -1.381 -0.977) 3.692 6.344 ( -3.214 -2.089 1.100) 3.988 6.597 ( 5.149 4.986 -3.685) 8.059 7.589 ( -2.689 0.527 3.402) 4.368 7.945 ( -0.141 4.793 -2.142) 5.252 8.022 ( -6.320 -0.646 6.145) 8.838 8.544 ( 4.850 -6.616 -8.266) 11.646 13.099 ( -12.815 13.383 8.138) 20.237 13.452 ( -10.895 -2.589 3.885) 11.854 14.762 ( 8.010 -0.080 -0.044) 8.011 15.181 ( 1.021 -17.084 -14.988) 22.749 16.748 ( 2.887 1.139 0.825) 3.211 17.361 ( 3.384 5.932 4.145) 7.989 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -10.113 -4.343 5.742) 12.414 1.286 ( -14.644 1.871 -3.772) 15.237 1.530 ( 1.728 -2.499 -0.760) 3.132 2.090 ( 9.494 9.865 -0.024) 13.692 2.212 ( 5.950 1.514 6.480) 8.927 2.673 ( 1.814 -1.794 -3.862) 4.629 3.227 ( 0.144 -4.369 1.134) 4.516 3.423 ( -8.004 -5.284 -2.657) 9.952 4.226 ( 3.672 6.032 2.307) 7.429 4.533 ( -1.977 1.774 0.026) 2.657 5.263 ( -5.442 -4.058 -6.921) 9.694 5.711 ( 4.254 -1.853 -0.154) 4.643 6.415 ( 4.065 -1.327 9.437) 10.361 6.636 ( 2.319 -3.202 -1.342) 4.175 7.666 ( 0.605 0.779 -0.138) 0.995 7.968 ( -3.225 -5.362 3.903) 7.375 8.071 ( -6.166 7.513 5.573) 11.204 8.372 ( 7.381 2.529 -9.859) 12.572 13.140 ( -21.736 0.611 -0.528) 21.751 13.586 ( 2.702 8.102 7.420) 11.314 14.781 ( 4.393 3.583 1.038) 5.763 14.988 ( 15.173 -0.388 1.815) 15.286 16.744 ( -0.288 -2.130 -2.046) 2.967 17.414 ( -2.732 -5.086 -3.043) 6.526 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -13.361 -1.090 2.995) 13.736 1.053 ( -14.153 3.026 1.593) 14.560 1.516 ( 2.468 -6.136 -3.254) 7.370 2.342 ( 5.497 7.614 6.667) 11.517 2.379 ( 8.865 1.938 -0.463) 9.086 2.649 ( 2.204 -1.867 -6.058) 6.711 3.082 ( -9.854 -7.357 2.795) 12.611 3.306 ( 1.205 -3.022 -4.747) 5.755 4.366 ( 0.911 6.837 3.732) 7.843 4.539 ( 1.469 3.485 0.216) 3.788 5.037 ( -8.444 -7.610 -7.711) 13.736 5.750 ( 3.005 -3.328 1.138) 4.627 6.553 ( 6.363 -4.402 6.997) 10.432 6.634 ( 2.898 -1.252 1.251) 3.396 7.678 ( 1.153 -1.747 -1.160) 2.393 7.856 ( -6.276 -3.444 1.835) 7.391 8.083 ( -5.616 9.581 4.668) 12.047 8.503 ( 8.966 4.172 -5.623) 11.376 12.753 ( -22.965 0.552 0.113) 22.972 13.831 ( 10.496 9.951 8.110) 16.582 14.964 ( 5.555 9.896 6.731) 13.195 15.250 ( 13.874 0.051 1.222) 13.928 16.685 ( -1.370 -3.550 -3.442) 5.131 17.226 ( -7.202 -10.296 -6.128) 13.980 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -9.342 4.332 2.040) 10.498 0.885 ( -12.341 4.382 5.640) 14.259 1.433 ( 0.984 -11.303 -7.079) 13.373 2.382 ( -2.643 -5.331 0.073) 5.951 2.552 ( 5.151 4.060 4.084) 7.726 2.731 ( 8.927 6.427 -6.673) 12.866 2.893 ( -5.277 -5.570 2.225) 7.989 3.267 ( -1.061 -1.625 -3.416) 3.929 4.393 ( -3.625 4.482 -1.148) 5.878 4.668 ( 2.526 3.425 3.996) 5.838 4.770 ( -5.147 -8.181 -4.476) 10.652 5.782 ( 3.615 -2.991 3.787) 6.030 6.533 ( -0.753 -6.218 -1.055) 6.352 6.803 ( 10.166 1.329 4.898) 11.362 7.626 ( -5.326 -3.707 1.520) 6.665 7.736 ( -4.123 -1.227 -0.920) 4.399 8.131 ( -2.571 9.954 1.927) 10.459 8.669 ( 7.984 3.609 -1.790) 8.942 12.400 ( -18.493 0.529 0.460) 18.506 14.236 ( 16.717 12.972 10.655) 23.690 15.214 ( 5.829 10.832 7.911) 14.625 15.461 ( 9.829 0.549 0.202) 9.846 16.577 ( -4.873 -4.434 -4.183) 7.804 16.907 ( -9.824 -13.902 -8.205) 18.897 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -1.561 5.539 2.796) 6.398 0.796 ( -7.008 5.073 5.130) 10.058 1.250 ( -1.546 -13.305 -8.996) 16.135 2.256 ( -4.362 -4.627 -0.821) 6.412 2.681 ( 2.984 2.637 3.956) 5.613 2.809 ( 2.383 -4.335 -1.444) 5.153 2.912 ( 5.247 4.543 -2.781) 7.477 3.201 ( -3.901 2.150 -2.020) 4.890 4.336 ( -4.714 1.730 -6.124) 7.919 4.519 ( -3.942 -8.906 2.523) 10.061 4.854 ( 3.954 3.685 2.668) 6.028 5.883 ( 6.506 -0.041 6.478) 9.181 6.421 ( -4.018 -5.668 -3.403) 7.737 7.020 ( 11.175 1.363 1.195) 11.321 7.458 ( -11.146 -2.564 3.538) 11.972 7.681 ( -1.187 -0.690 -1.373) 1.942 8.201 ( -0.221 6.993 0.479) 7.013 8.806 ( 4.733 2.606 -0.186) 5.406 12.158 ( -10.259 0.387 0.483) 10.278 14.759 ( 18.312 15.921 13.466) 27.751 15.449 ( 5.941 7.480 5.830) 11.190 15.594 ( 4.963 1.321 -1.419) 5.329 16.298 ( -17.783 -9.348 -5.388) 20.800 16.623 ( -1.374 -10.908 -7.644) 13.390 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 1.497 1.797 -0.322) 2.361 0.815 ( 2.228 1.813 2.481) 3.796 1.062 ( -1.804 -7.317 -5.371) 9.255 2.164 ( -2.060 -1.784 0.569) 2.784 2.735 ( -0.257 1.379 1.682) 2.190 2.834 ( 3.178 -3.416 -0.928) 4.757 2.936 ( -1.927 0.347 -0.821) 2.123 3.196 ( -0.690 4.707 -0.846) 4.832 4.236 ( -0.530 -1.783 -4.113) 4.514 4.457 ( 0.223 -3.009 2.258) 3.768 4.930 ( 0.863 1.488 0.755) 1.878 6.064 ( 7.290 2.530 6.557) 10.126 6.245 ( -6.819 -5.132 -4.976) 9.879 7.182 ( 0.340 0.078 -0.234) 0.420 7.301 ( -1.252 -0.111 2.813) 3.081 7.657 ( -0.507 0.209 -0.905) 1.058 8.257 ( 0.682 2.638 0.776) 2.833 8.868 ( 0.145 1.547 -0.299) 1.582 12.075 ( 0.133 0.190 0.159) 0.281 15.255 ( 3.041 16.780 15.616) 23.123 15.623 ( 4.790 -1.601 4.063) 6.482 15.645 ( 5.679 4.982 -9.171) 11.882 15.842 ( -14.111 -11.653 -2.828) 18.518 16.504 ( 0.841 -6.402 -5.147) 8.258 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 2.912 -1.205 -1.405) 3.451 0.913 ( 8.567 -1.737 -2.315) 9.042 1.009 ( -0.009 2.015 1.112) 2.302 2.168 ( 1.341 1.876 2.713) 3.561 2.737 ( -4.549 0.865 0.397) 4.647 2.771 ( -0.118 -3.249 -1.393) 3.537 2.934 ( -1.100 0.253 0.735) 1.347 3.204 ( -1.754 1.242 0.786) 2.288 4.278 ( 7.433 -0.193 0.556) 7.456 4.469 ( 1.967 0.461 -0.195) 2.030 4.926 ( -1.679 -0.595 -1.437) 2.289 6.009 ( -7.725 -4.604 -6.614) 11.163 6.266 ( 4.830 4.287 5.953) 8.784 7.038 ( -10.574 -1.050 1.983) 10.810 7.440 ( 9.129 2.012 -1.381) 9.450 7.657 ( 0.160 1.097 -0.275) 1.142 8.287 ( 1.791 -1.838 1.180) 2.825 8.835 ( -4.611 0.346 -0.954) 4.721 12.168 ( 10.471 -0.071 -0.238) 10.474 15.031 ( -28.513 -3.657 -2.438) 28.850 15.591 ( -5.007 -0.181 0.592) 5.045 15.704 ( 0.129 -3.868 -1.258) 4.070 16.013 ( 22.505 8.524 4.027) 24.400 16.462 ( 0.966 -1.219 -0.914) 1.804 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 6.306 -2.970 -1.848) 7.211 1.028 ( 9.284 -1.875 -4.582) 10.522 1.104 ( 1.633 8.545 6.197) 10.682 2.265 ( 3.265 4.197 3.460) 6.344 2.613 ( -6.335 -1.781 -0.943) 6.648 2.777 ( -1.919 -1.605 1.558) 2.947 2.886 ( 0.334 -1.943 -0.918) 2.175 3.193 ( -2.663 3.127 1.378) 4.333 4.412 ( 5.313 -3.370 5.104) 8.102 4.577 ( 9.221 6.604 -2.004) 11.517 4.837 ( -4.660 -3.512 -3.794) 6.960 5.821 ( -5.529 -2.304 -4.326) 7.389 6.395 ( 1.451 5.208 3.193) 6.279 6.862 ( -9.235 -1.123 -0.791) 9.337 7.576 ( 4.040 2.154 -0.581) 4.615 7.693 ( 2.910 2.310 0.251) 3.724 8.303 ( 4.039 -5.610 0.204) 6.916 8.712 ( -8.416 -1.004 -0.978) 8.532 12.415 ( 18.570 -0.430 -0.336) 18.578 14.469 ( -28.190 -5.097 -3.499) 28.860 15.461 ( -9.867 -1.010 0.700) 9.943 15.610 ( 0.835 -10.734 -9.586) 14.415 16.465 ( 11.117 3.726 3.012) 12.106 16.527 ( 7.445 10.654 7.120) 14.820 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 10.518 -1.577 -2.371) 10.897 1.141 ( 8.655 -1.288 -2.721) 9.164 1.266 ( 0.849 10.254 6.954) 12.418 2.346 ( -2.071 3.267 0.829) 3.956 2.490 ( -5.188 -1.840 -2.682) 6.123 2.640 ( -6.297 -7.365 5.236) 11.015 2.997 ( 10.079 3.942 -1.918) 10.991 3.186 ( -3.928 5.296 1.383) 6.737 4.466 ( 2.260 -2.420 3.009) 4.474 4.662 ( -6.402 -6.014 -4.758) 9.989 4.840 ( 12.229 5.849 2.705) 13.823 5.728 ( -2.596 -0.333 -0.859) 2.754 6.462 ( -1.102 6.467 -0.392) 6.572 6.693 ( -7.493 -1.450 -3.206) 8.278 7.618 ( -0.464 1.709 1.205) 2.142 7.795 ( 4.474 3.718 -0.230) 5.822 8.319 ( 6.305 -7.911 -2.231) 10.359 8.530 ( -10.473 -2.309 0.547) 10.739 12.768 ( 22.910 -0.813 -0.010) 22.924 13.968 ( -23.869 -2.107 -1.151) 23.990 15.249 ( -13.624 -1.825 0.790) 13.768 15.416 ( 0.086 -14.809 -14.664) 20.841 16.572 ( 2.278 3.407 3.378) 5.311 16.908 ( 10.968 11.884 7.991) 18.038 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 9.880 1.120 -2.846) 10.343 1.279 ( 8.471 0.778 1.800) 8.695 1.398 ( 0.726 6.802 4.366) 8.115 2.241 ( -9.893 -2.402 -0.967) 10.226 2.304 ( -8.257 -4.861 -3.284) 10.129 2.604 ( 0.848 -0.128 3.874) 3.967 3.163 ( -0.162 4.144 -1.232) 4.327 3.258 ( 9.243 7.230 1.600) 11.843 4.424 ( -3.627 -8.049 -4.532) 9.924 4.529 ( -1.268 -0.268 2.629) 2.932 5.106 ( 9.922 3.448 5.751) 11.975 5.691 ( -1.835 -0.304 0.585) 1.950 6.475 ( -2.557 5.100 -7.889) 9.736 6.565 ( -4.209 0.635 0.929) 4.357 7.630 ( -0.915 1.396 2.090) 2.674 7.898 ( 3.003 4.832 -1.580) 5.905 8.328 ( 3.670 -8.873 -5.798) 11.217 8.336 ( -7.020 -2.752 4.677) 8.873 13.151 ( 21.764 -0.904 0.232) 21.784 13.621 ( -17.252 2.514 3.074) 17.703 14.986 ( -14.761 -1.874 0.619) 14.892 15.162 ( -0.440 -16.154 -16.368) 23.001 16.662 ( 2.067 3.041 2.885) 4.674 17.204 ( 6.346 9.436 6.470) 13.083 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 4.323 0.595 -0.877) 4.451 1.444 ( 2.142 6.064 4.345) 7.762 1.497 ( 6.154 0.750 0.953) 6.273 1.988 ( -10.083 -7.508 -1.438) 12.653 2.150 ( -6.186 1.266 -2.543) 6.807 2.641 ( 0.946 0.670 1.405) 1.822 3.188 ( 0.358 2.807 -0.312) 2.847 3.493 ( 7.402 5.960 1.111) 9.568 4.246 ( -3.907 -7.521 -3.216) 9.065 4.541 ( -0.671 1.124 2.082) 2.460 5.298 ( 5.558 0.749 5.892) 8.134 5.662 ( -0.605 -0.612 -1.158) 1.443 6.393 ( -3.307 0.150 -3.989) 5.184 6.576 ( 0.482 3.986 -0.762) 4.087 7.642 ( -0.740 1.253 2.249) 2.679 7.969 ( 1.164 5.283 -3.187) 6.278 8.178 ( -7.812 -3.407 7.715) 11.496 8.329 ( 5.876 -6.576 -7.293) 11.444 13.413 ( 1.984 5.172 -3.520) 6.563 13.494 ( -1.545 0.839 10.837) 10.978 14.762 ( -8.051 -0.769 -0.240) 8.092 14.912 ( 0.238 -14.235 -13.488) 19.612 16.730 ( 1.562 1.595 1.471) 2.674 17.388 ( 2.952 5.583 3.877) 7.410 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -0.000 0.000 18.398) 18.398 0.335 ( -0.000 0.000 18.398) 18.398 0.473 ( -0.000 0.000 25.842) 25.842 2.534 ( 0.000 -0.000 -8.381) 8.381 2.534 ( 0.000 -0.000 -8.381) 8.381 2.899 ( -0.000 0.000 5.238) 5.238 2.899 ( -0.000 0.000 5.238) 5.238 3.384 ( 0.000 -0.000 -4.610) 4.610 4.160 ( -0.000 0.000 1.909) 1.909 4.160 ( -0.000 0.000 1.909) 1.909 5.479 ( 0.000 -0.000 -0.315) 0.315 6.789 ( 0.000 -0.000 -0.323) 0.323 7.024 ( -0.000 0.000 2.528) 2.528 7.121 ( -0.000 0.000 0.686) 0.686 7.121 ( -0.000 0.000 0.686) 0.686 7.655 ( 0.000 -0.000 -0.136) 0.136 7.848 ( 0.000 -0.000 -1.823) 1.823 7.848 ( 0.000 -0.000 -1.823) 1.823 12.130 ( -0.000 0.000 9.488) 9.488 12.130 ( -0.000 0.000 9.488) 9.488 15.546 ( 0.000 -0.000 -5.068) 5.068 15.546 ( 0.000 -0.000 -5.068) 5.068 16.956 ( 0.000 -0.000 -1.693) 1.693 17.778 ( -0.000 0.000 1.337) 1.337 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.131 ( 0.932 -0.794 7.666) 7.763 0.625 ( 0.195 17.198 18.347) 25.148 0.860 ( 17.696 -1.320 21.235) 27.674 2.276 ( -7.808 -6.667 -8.431) 13.285 2.653 ( -8.695 -10.202 8.424) 15.832 2.839 ( 14.458 10.329 -14.071) 22.665 3.127 ( 7.189 5.592 4.956) 10.369 3.230 ( -7.911 -4.684 -1.494) 9.314 4.182 ( -2.104 6.441 -0.683) 6.811 4.242 ( 5.945 -3.356 0.702) 6.863 5.453 ( -2.135 -0.409 -1.510) 2.647 6.298 ( -20.849 -13.710 21.698) 33.067 6.959 ( -4.220 -4.018 0.725) 5.871 6.981 ( -9.297 -3.273 0.193) 9.859 7.224 ( 4.707 2.281 4.040) 6.610 7.636 ( 3.594 3.665 0.886) 5.209 7.884 ( 4.144 -1.678 -0.598) 4.511 8.338 ( 16.661 12.915 -22.189) 30.606 12.168 ( 4.041 1.823 6.721) 8.052 12.378 ( 8.880 6.416 17.115) 20.321 15.422 ( -5.607 -0.891 -9.574) 11.130 15.598 ( 0.614 0.443 -1.285) 1.492 16.924 ( -1.511 -0.983 -2.382) 2.987 17.590 ( -8.399 -7.253 6.439) 12.830 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 17.319 13.969 -11.887) 25.227 0.906 ( -0.021 17.547 16.859) 24.334 1.242 ( 15.424 -3.047 16.909) 23.089 2.059 ( -5.443 -4.924 -5.470) 9.154 2.450 ( -6.481 -11.955 6.876) 15.238 2.989 ( -0.956 -6.038 -8.225) 10.248 3.136 ( 4.668 10.400 -5.923) 12.846 3.288 ( 3.426 2.970 3.454) 5.700 4.183 ( -0.511 0.859 -3.319) 3.466 4.319 ( 3.289 1.037 4.540) 5.701 5.390 ( -3.008 0.700 -4.427) 5.398 6.086 ( -9.322 -6.041 14.329) 18.130 6.744 ( -10.755 -6.364 5.041) 13.476 6.871 ( -3.349 -4.353 -1.458) 5.682 7.371 ( 6.196 2.479 5.293) 8.518 7.748 ( 3.651 4.591 0.239) 5.871 7.942 ( 3.936 -1.149 1.092) 4.244 8.456 ( 3.630 5.342 -17.346) 18.509 12.374 ( 11.316 5.888 4.468) 13.516 12.745 ( 11.137 8.601 21.619) 25.795 15.225 ( -8.102 -1.114 -13.264) 15.583 15.537 ( -7.021 -3.665 5.420) 9.598 16.865 ( -1.863 -1.441 -3.212) 3.983 17.481 ( -1.194 -4.566 0.643) 4.763 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 16.719 13.863 -12.014) 24.821 1.155 ( -0.567 14.354 13.373) 19.626 1.495 ( 7.768 -3.446 9.023) 12.395 1.947 ( 0.023 -3.707 -1.249) 3.911 2.288 ( -3.639 -11.197 6.699) 13.546 2.819 ( -4.862 -5.371 -4.174) 8.361 3.288 ( 6.133 0.671 -5.836) 8.493 3.359 ( -0.943 9.005 0.319) 9.060 4.162 ( 1.130 -2.141 -1.802) 3.018 4.425 ( 2.828 3.391 4.911) 6.604 5.318 ( -2.335 1.637 -8.058) 8.548 5.951 ( -8.948 -3.872 6.380) 11.652 6.582 ( -6.999 -4.655 10.668) 13.582 6.757 ( -2.777 -5.627 -2.139) 6.629 7.531 ( 6.238 1.005 4.553) 7.788 7.854 ( 3.828 3.882 0.825) 5.514 8.006 ( 2.350 0.579 3.551) 4.298 8.408 ( -1.410 1.751 -14.553) 14.726 12.705 ( 15.844 8.582 3.187) 18.299 13.158 ( 10.883 8.940 21.185) 25.440 14.975 ( -9.005 -1.911 -14.629) 17.284 15.365 ( -11.800 -6.947 9.423) 16.623 16.802 ( -1.462 -1.210 -3.468) 3.954 17.440 ( 1.260 -2.826 -3.445) 4.631 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 12.252 11.512 -9.217) 19.173 1.311 ( -0.123 7.073 5.635) 9.044 1.551 ( -0.200 -1.648 1.098) 1.990 1.936 ( 1.916 -5.245 0.347) 5.595 2.209 ( -0.348 -7.139 9.097) 11.568 2.699 ( -3.018 -1.472 -1.056) 3.520 3.263 ( -1.276 -3.788 -2.350) 4.637 3.468 ( 2.792 8.343 -4.094) 9.704 4.162 ( 1.033 -1.584 1.511) 2.420 4.526 ( 1.768 3.068 3.696) 5.119 5.247 ( -0.188 0.830 -11.994) 12.024 5.800 ( -7.867 -2.059 4.215) 9.160 6.517 ( -4.971 -3.132 9.823) 11.446 6.657 ( -1.333 -4.519 -0.059) 4.712 7.633 ( 2.912 -0.139 1.225) 3.162 7.963 ( 6.026 -2.004 1.397) 6.502 8.092 ( 0.636 6.567 6.796) 9.472 8.287 ( -3.266 -0.641 -11.821) 12.281 13.095 ( 16.284 9.086 3.601) 18.991 13.488 ( 5.099 6.331 10.899) 13.597 14.749 ( -5.055 -1.860 -8.247) 9.850 15.126 ( -13.784 -8.635 10.996) 19.633 16.754 ( -0.707 -0.504 -3.141) 3.259 17.418 ( 1.660 -1.307 -5.790) 6.164 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -0.522 -0.337 -3.377) 3.434 1.427 ( 8.438 4.390 -6.726) 11.649 1.519 ( -2.144 1.032 -2.140) 3.200 1.904 ( -0.907 -2.947 3.339) 4.545 2.193 ( -2.299 -4.336 6.338) 8.016 2.673 ( -1.172 2.209 1.904) 3.143 3.202 ( 0.032 -2.007 -1.706) 2.634 3.539 ( 1.942 2.491 -4.524) 5.518 4.179 ( 0.338 -0.948 4.138) 4.259 4.573 ( -1.429 2.082 1.622) 3.001 5.200 ( 3.887 0.119 -13.688) 14.230 5.721 ( -3.984 1.112 5.170) 6.621 6.432 ( -4.109 -5.278 2.455) 7.125 6.641 ( -0.532 0.116 5.649) 5.675 7.648 ( -0.581 0.070 -2.042) 2.125 8.013 ( 4.173 -6.713 0.430) 7.916 8.099 ( -5.817 1.903 -7.682) 9.822 8.304 ( 4.789 5.754 8.630) 11.424 13.436 ( 10.012 4.126 6.030) 12.394 13.503 ( -7.348 1.304 -10.228) 12.661 14.745 ( 4.685 1.524 8.530) 9.850 14.892 ( -10.082 -7.402 10.205) 16.143 16.732 ( 0.334 0.421 -2.652) 2.706 17.399 ( 1.373 0.123 -7.337) 7.465 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -1.465 -10.061 -9.220) 13.725 1.448 ( -5.217 2.252 -5.088) 7.628 1.536 ( 2.815 -0.178 -2.387) 3.695 1.921 ( 1.074 1.750 2.978) 3.617 2.113 ( -5.540 -2.174 4.814) 7.655 2.713 ( 0.213 4.100 3.489) 5.388 3.214 ( 2.627 0.663 -1.226) 2.974 3.522 ( -0.156 -2.790 -5.280) 5.974 4.210 ( 1.254 -1.040 5.316) 5.560 4.539 ( -4.577 0.593 0.256) 4.623 5.226 ( 6.831 1.947 -12.092) 14.024 5.733 ( -0.598 2.391 3.416) 4.212 6.334 ( -2.323 -4.112 1.759) 5.040 6.686 ( 0.242 1.936 5.778) 6.099 7.591 ( -3.288 -0.723 -5.224) 6.215 7.937 ( -1.252 -4.596 -7.514) 8.897 8.041 ( -1.533 -0.641 2.839) 3.289 8.508 ( 5.504 4.790 9.648) 12.096 13.181 ( -12.682 -5.347 -21.694) 25.692 13.551 ( -6.657 -3.288 12.545) 14.577 14.813 ( 0.183 3.025 6.263) 6.957 14.984 ( 10.442 -0.224 15.555) 18.737 16.742 ( 1.490 1.296 -2.331) 3.055 17.378 ( 1.004 1.227 -8.660) 8.804 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.811 -15.277 -13.629) 20.553 1.282 ( -12.844 4.195 -10.484) 17.102 1.500 ( -4.889 -6.727 6.071) 10.296 1.947 ( 2.802 -4.457 2.901) 6.011 2.127 ( -0.264 9.055 5.380) 10.536 2.804 ( 2.356 5.375 3.271) 6.719 3.253 ( 2.546 -1.262 -3.248) 4.316 3.438 ( -1.384 -3.585 -5.014) 6.317 4.264 ( 1.899 -0.250 4.861) 5.225 4.442 ( -6.132 -1.590 1.020) 6.416 5.312 ( 6.873 3.576 -8.878) 11.783 5.747 ( -0.908 0.677 -2.190) 2.466 6.332 ( 2.572 0.597 5.172) 5.807 6.753 ( 1.602 2.169 4.436) 5.191 7.464 ( -4.716 -2.643 -7.115) 8.936 7.855 ( -0.440 -2.107 -4.391) 4.890 8.014 ( -2.652 -1.188 2.456) 3.805 8.686 ( 4.360 2.916 8.063) 9.619 12.764 ( -12.591 -6.441 -22.338) 26.439 13.328 ( -19.027 -10.782 15.882) 27.028 14.995 ( 8.062 8.923 5.378) 13.174 15.244 ( 9.762 -1.215 13.864) 17.000 16.778 ( 2.517 1.880 -2.332) 3.913 17.352 ( 0.862 1.662 -9.997) 10.171 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -2.530 -17.358 -14.940) 23.041 0.972 ( -18.637 4.623 -16.176) 25.107 1.314 ( -12.284 -11.640 13.644) 21.738 2.049 ( 10.714 -4.232 6.966) 13.462 2.277 ( 0.363 13.553 5.067) 14.474 2.910 ( 2.687 3.588 -0.922) 4.576 3.202 ( 1.823 -9.765 -7.216) 12.279 3.380 ( -2.937 3.267 -1.289) 4.578 4.269 ( -4.926 0.424 -2.454) 5.519 4.373 ( 0.453 -2.840 7.684) 8.205 5.406 ( 4.821 3.223 -5.482) 7.980 5.698 ( -1.857 -0.476 -3.230) 3.757 6.490 ( 7.922 4.980 5.582) 10.895 6.835 ( 2.928 1.886 3.269) 4.776 7.313 ( -4.280 -3.442 -6.209) 8.289 7.813 ( -0.497 -1.725 -2.038) 2.716 7.955 ( -3.925 -0.985 0.500) 4.077 8.806 ( 2.496 1.544 4.830) 5.652 12.389 ( -9.696 -5.477 -17.768) 20.969 12.949 ( -21.903 -12.290 16.102) 29.834 15.268 ( 7.290 10.434 6.997) 14.525 15.446 ( 7.683 -2.829 9.834) 12.796 16.833 ( 3.206 2.026 -2.558) 4.574 17.320 ( 1.203 1.192 -10.980) 11.110 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( -3.500 -14.960 -12.139) 19.581 0.564 ( -21.471 4.125 -18.408) 28.581 1.040 ( -15.826 -13.986 18.090) 27.809 2.293 ( 15.767 -3.967 9.978) 19.076 2.469 ( 0.497 17.260 7.723) 18.916 2.901 ( 2.620 -8.832 -11.313) 14.589 3.070 ( -4.802 -2.568 -7.115) 8.959 3.357 ( -3.388 1.504 1.679) 4.069 4.165 ( -3.954 0.149 -1.934) 4.404 4.413 ( 0.806 -1.693 3.727) 4.172 5.456 ( 1.691 1.658 -4.696) 5.259 5.688 ( 1.074 0.490 7.451) 7.544 6.733 ( 9.871 6.687 2.704) 12.226 6.926 ( 3.478 1.698 2.787) 4.769 7.189 ( -2.790 -2.939 -3.619) 5.433 7.756 ( -3.745 -2.794 0.469) 4.696 7.882 ( -2.143 -0.786 -2.426) 3.331 8.850 ( -0.164 0.557 -2.404) 2.473 12.133 ( -5.234 -3.047 -9.777) 11.501 12.569 ( -19.488 -10.637 14.960) 26.771 15.503 ( 2.491 10.186 6.823) 12.510 15.569 ( 5.543 -4.076 5.559) 8.845 16.893 ( 3.284 1.727 -2.470) 4.457 17.295 ( 2.856 0.234 -8.713) 9.172 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( -13.511 -10.907 18.288) 25.218 0.496 ( 18.275 -5.860 20.534) 28.106 1.086 ( -3.732 19.799 19.107) 27.767 2.388 ( -3.941 4.279 -12.981) 14.225 2.619 ( 2.949 8.490 -8.971) 12.698 2.761 ( -4.945 -10.320 4.745) 12.388 3.010 ( 2.804 -6.549 7.022) 10.003 3.297 ( 0.051 2.299 -3.319) 4.037 4.132 ( 1.745 -1.842 0.160) 2.542 4.314 ( -1.199 8.329 0.914) 8.464 5.437 ( 0.829 -3.681 -1.811) 4.185 6.406 ( -1.341 -24.544 15.825) 29.234 6.930 ( -0.628 -7.729 -0.883) 7.805 7.102 ( 6.162 -2.489 4.885) 8.247 7.149 ( -5.901 -0.203 2.531) 6.424 7.661 ( 2.167 5.899 1.057) 6.373 7.783 ( -3.185 -1.193 -4.006) 5.255 8.308 ( 2.010 24.855 -15.378) 29.297 12.132 ( -0.189 -5.728 9.616) 11.194 12.567 ( 0.816 19.766 18.971) 27.409 15.482 ( 3.995 5.037 -11.364) 13.056 15.543 ( -2.092 3.181 -5.283) 6.512 16.902 ( -0.149 -3.209 -2.797) 4.259 17.565 ( -1.843 -19.111 7.230) 20.516 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 6.566 7.779 1.443) 10.281 0.890 ( 18.254 -4.345 17.694) 25.791 1.321 ( -2.051 15.403 15.932) 22.255 2.166 ( -12.317 4.863 -9.399) 16.239 2.520 ( -9.767 -12.627 6.675) 17.303 2.802 ( 9.728 -0.381 -7.710) 12.419 3.057 ( 5.003 -2.921 -0.912) 5.864 3.326 ( 1.212 5.564 -0.146) 5.697 4.138 ( 1.141 -1.695 -3.226) 3.819 4.386 ( -0.855 7.474 4.014) 8.527 5.384 ( -0.557 -4.208 -3.820) 5.710 6.216 ( -6.120 -13.798 14.660) 21.042 6.822 ( -1.305 -8.946 -2.445) 9.366 6.933 ( -12.896 -2.972 5.487) 14.326 7.301 ( 8.576 1.177 3.924) 9.504 7.730 ( 2.203 0.542 -0.950) 2.459 7.831 ( 6.139 3.369 -0.090) 7.003 8.448 ( 0.050 15.562 -14.070) 20.979 12.213 ( 9.141 -4.506 8.843) 13.493 12.947 ( 3.227 23.673 21.744) 32.305 15.347 ( -11.408 6.358 -13.931) 19.096 15.597 ( 0.936 1.116 -1.292) 1.947 16.830 ( -0.421 -5.590 -3.560) 6.641 17.390 ( -0.082 -16.488 4.539) 17.101 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 15.517 13.238 -9.261) 22.401 1.221 ( 12.647 -2.265 13.029) 18.298 1.480 ( -1.293 5.337 9.342) 10.836 2.005 ( -7.553 6.239 -4.929) 10.966 2.307 ( -6.120 -10.741 7.857) 14.648 2.787 ( -0.640 -6.308 -1.682) 6.559 3.150 ( 6.645 0.673 -4.763) 8.203 3.409 ( 2.258 4.592 -2.483) 5.688 4.117 ( 0.858 0.001 -2.877) 3.003 4.478 ( 0.398 5.788 5.369) 7.905 5.291 ( -1.367 -4.336 -7.437) 8.716 6.094 ( -6.723 -6.367 10.509) 14.006 6.685 ( -1.139 -10.231 -3.327) 10.818 6.750 ( -9.815 -2.325 9.213) 13.660 7.468 ( 6.404 2.224 2.740) 7.312 7.773 ( 5.248 -3.349 -1.660) 6.443 7.979 ( 4.767 5.000 4.253) 8.112 8.453 ( -4.667 10.511 -12.371) 16.891 12.453 ( 16.982 -2.969 7.851) 18.943 13.370 ( 2.395 24.429 21.094) 32.365 15.093 ( -13.719 4.904 -15.626) 21.364 15.540 ( -7.884 -3.573 6.792) 11.002 16.755 ( 1.015 -5.090 -4.546) 6.899 17.300 ( 4.025 -11.413 -1.674) 12.217 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 15.730 11.566 -10.776) 22.301 1.380 ( -0.138 -1.331 2.244) 2.613 1.496 ( 2.620 -6.717 2.586) 7.660 1.974 ( -3.468 8.378 0.364) 9.075 2.213 ( -1.838 -6.593 11.397) 13.294 2.722 ( -1.304 -1.905 1.709) 2.873 3.186 ( 2.428 -4.386 -3.356) 6.032 3.445 ( 2.010 1.543 -6.730) 7.191 4.159 ( 2.127 4.189 0.421) 4.717 4.571 ( 0.757 4.258 5.376) 6.899 5.163 ( -1.235 -4.934 -11.853) 12.898 5.969 ( -9.108 -1.768 7.672) 12.040 6.547 ( -1.006 -9.695 -4.289) 10.649 6.678 ( -4.145 -1.749 12.047) 12.860 7.586 ( 3.964 1.207 0.870) 4.233 7.817 ( 5.972 -5.420 -1.546) 8.211 8.147 ( 4.460 6.113 7.575) 10.707 8.363 ( -7.836 7.710 -10.458) 15.173 12.809 ( 21.535 -1.990 7.350) 22.842 13.702 ( -3.659 20.177 11.744) 23.631 14.838 ( -10.120 4.545 -9.279) 14.463 15.358 ( -13.280 -6.623 11.156) 18.565 16.711 ( 1.531 -2.964 -4.267) 5.416 17.267 ( 5.821 -7.803 -6.476) 11.692 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 8.102 4.163 -7.843) 12.020 1.257 ( 1.179 -6.778 -9.077) 11.389 1.504 ( 1.615 -2.907 0.210) 3.332 2.010 ( -4.321 8.599 2.671) 9.988 2.220 ( -0.401 -4.314 11.011) 11.832 2.731 ( -0.445 2.484 3.805) 4.566 3.134 ( 1.253 -5.405 -3.954) 6.813 3.441 ( 3.503 -3.995 -6.362) 8.289 4.242 ( -0.647 5.882 3.448) 6.849 4.641 ( -0.982 3.385 3.904) 5.260 5.040 ( 2.454 -3.565 -14.112) 14.760 5.865 ( -7.239 0.616 6.851) 9.985 6.416 ( -1.249 -7.698 -3.442) 8.525 6.688 ( -1.248 -1.916 10.314) 10.564 7.637 ( 1.107 0.589 -1.254) 1.774 7.846 ( 5.399 -6.676 -1.915) 8.797 8.224 ( -8.744 5.331 -6.433) 12.094 8.344 ( 4.634 6.626 8.487) 11.722 13.202 ( 20.257 -2.034 6.369) 21.332 13.692 ( -14.294 7.462 -7.359) 17.724 14.822 ( -0.498 10.652 8.311) 13.520 15.114 ( -14.692 -6.844 12.114) 20.234 16.694 ( 1.600 -1.221 -3.444) 3.989 17.258 ( 6.041 -5.215 -9.441) 12.362 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -4.355 -12.031 -9.053) 15.674 1.384 ( 8.948 1.309 -6.745) 11.282 1.499 ( 0.412 -0.363 -1.760) 1.844 2.016 ( -5.289 7.524 -1.142) 9.268 2.212 ( -3.515 -1.665 9.379) 10.153 2.779 ( -0.386 3.423 4.388) 5.578 3.111 ( 4.228 -4.844 -4.039) 7.593 3.412 ( 3.682 -6.237 -5.081) 8.847 4.278 ( -3.222 3.522 4.964) 6.886 4.632 ( -4.326 1.797 0.344) 4.696 5.047 ( 7.860 2.011 -11.144) 13.784 5.814 ( -4.072 0.664 4.961) 6.453 6.325 ( -0.381 -4.305 -0.965) 4.428 6.706 ( 0.123 -3.449 7.204) 7.988 7.621 ( -2.487 1.578 -3.941) 4.921 7.839 ( 2.793 -5.369 -3.654) 7.070 8.105 ( -5.951 1.686 -0.870) 6.246 8.538 ( 4.537 5.564 8.526) 11.146 13.259 ( -13.792 -0.953 -19.678) 24.049 13.599 ( 6.410 -3.489 13.213) 15.094 14.870 ( -7.427 -6.651 10.632) 14.575 15.079 ( 1.096 14.303 14.103) 20.116 16.699 ( 2.092 -0.140 -3.225) 3.847 17.252 ( 5.329 -3.294 -11.205) 12.837 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -5.314 -11.347 -8.776) 15.297 1.420 ( -3.251 0.877 -4.575) 5.680 1.495 ( 0.925 -1.616 -0.729) 2.000 1.943 ( -4.761 -0.064 -2.804) 5.526 2.246 ( -0.633 6.381 7.659) 9.989 2.844 ( 0.625 3.546 4.303) 5.611 3.069 ( 4.016 -12.067 -7.491) 14.760 3.419 ( 2.928 1.300 -2.426) 4.019 4.288 ( -1.150 1.512 4.562) 4.942 4.547 ( -6.344 -0.546 0.226) 6.371 5.174 ( 8.264 6.040 -8.740) 13.459 5.779 ( -2.902 -0.550 1.916) 3.521 6.325 ( 2.396 0.262 2.818) 3.708 6.714 ( 2.524 -6.037 4.126) 7.735 7.534 ( -6.761 3.340 -5.799) 9.513 7.807 ( 1.035 -2.428 -3.792) 4.620 8.042 ( -2.496 -2.172 2.860) 4.373 8.700 ( 3.700 3.498 6.715) 8.428 12.839 ( -16.638 -1.815 -20.189) 26.225 13.621 ( -10.791 -8.095 18.001) 22.495 14.869 ( 8.396 -5.120 9.021) 13.345 15.327 ( 1.172 13.649 12.235) 18.368 16.723 ( 2.992 0.443 -3.929) 4.958 17.238 ( 4.144 -1.669 -12.227) 13.018 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -7.564 -4.302 -2.687) 9.107 1.233 ( -15.345 5.084 -12.666) 20.536 1.441 ( -5.415 -7.846 8.292) 12.635 1.916 ( 4.485 -2.265 3.280) 6.001 2.388 ( 3.224 9.733 3.758) 10.920 2.832 ( -0.550 -11.260 -4.360) 12.087 3.027 ( 5.879 -1.404 -2.932) 6.718 3.471 ( -0.838 5.605 -1.298) 5.814 4.320 ( 0.027 1.290 0.731) 1.483 4.419 ( -6.282 -3.645 3.440) 8.037 5.317 ( 6.345 6.351 -6.994) 11.380 5.731 ( -2.896 -0.360 1.903) 3.484 6.443 ( 6.356 3.403 4.396) 8.444 6.731 ( 5.808 -8.102 1.800) 10.130 7.408 ( -8.552 4.669 -4.169) 10.598 7.786 ( 0.635 -0.664 -3.138) 3.270 7.991 ( -2.594 -3.346 2.618) 4.978 8.807 ( 2.403 1.129 3.359) 4.281 12.459 ( -13.765 0.391 -15.250) 20.547 13.338 ( -22.339 -10.044 18.639) 30.779 15.104 ( 15.977 -5.475 10.322) 19.793 15.517 ( -0.021 10.145 7.856) 12.832 16.762 ( 3.952 1.055 -5.186) 6.605 17.216 ( 2.834 0.416 -12.043) 12.379 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -8.439 11.893 11.058) 18.301 0.880 ( -21.080 6.205 -16.902) 27.723 1.261 ( -12.298 -11.395 15.400) 22.765 2.080 ( 12.086 -1.051 6.792) 13.904 2.536 ( 5.167 -5.886 -6.532) 10.198 2.681 ( 1.190 -1.092 -0.476) 1.684 3.114 ( 1.986 4.865 -2.839) 5.973 3.456 ( -5.552 2.966 -0.979) 6.370 4.246 ( -5.390 0.459 -2.876) 6.127 4.385 ( 0.687 -4.118 4.658) 6.255 5.413 ( 3.017 3.935 -5.440) 7.360 5.732 ( 0.177 1.413 8.088) 8.212 6.641 ( 9.299 3.821 3.170) 10.542 6.779 ( 8.361 -8.074 0.613) 11.639 7.300 ( -7.948 5.443 -0.707) 9.659 7.772 ( -0.474 0.394 -2.051) 2.142 7.915 ( -3.899 -2.477 0.721) 4.676 8.835 ( 0.148 -1.341 -2.732) 3.047 12.212 ( -9.594 4.663 -7.826) 13.230 12.947 ( -23.742 -9.917 18.246) 31.543 15.370 ( 13.943 -6.950 10.308) 18.681 15.608 ( -0.440 2.747 1.345) 3.090 16.819 ( 4.487 2.316 -5.137) 7.203 17.215 ( 2.465 4.363 -8.605) 9.958 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 5.349 1.546 12.105) 13.324 0.627 ( -16.505 -10.632 18.552) 27.012 1.427 ( -3.029 15.028 14.395) 21.029 2.226 ( 12.411 5.440 -6.170) 14.889 2.663 ( 6.348 -3.788 1.692) 7.583 2.820 ( -13.953 4.496 -7.696) 16.556 2.978 ( -1.799 -9.069 -1.652) 9.393 3.299 ( -0.050 2.473 0.777) 2.593 4.132 ( -2.191 -0.376 1.190) 2.522 4.390 ( 1.560 7.135 0.836) 7.351 5.338 ( 1.902 -6.966 -3.986) 8.248 6.226 ( 6.801 -14.937 12.621) 20.704 6.844 ( 1.545 -6.939 -0.168) 7.111 6.947 ( 9.500 -2.409 5.413) 11.196 7.342 ( -8.830 3.483 5.934) 11.194 7.702 ( -0.546 4.900 -0.738) 4.985 7.850 ( -7.529 -2.920 -3.773) 8.913 8.405 ( 1.355 15.543 -12.815) 20.190 12.217 ( -9.366 -4.873 9.088) 13.930 12.915 ( -2.154 22.630 21.452) 31.256 15.279 ( 11.938 2.874 -12.903) 17.811 15.590 ( 0.065 0.142 -0.473) 0.498 16.842 ( 0.286 -4.095 -3.666) 5.503 17.459 ( -1.568 -13.151 3.102) 13.603 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -8.831 -2.850 14.698) 17.382 0.636 ( 16.855 -4.333 19.090) 25.831 1.578 ( -2.776 9.501 9.487) 13.711 2.362 ( -4.982 6.876 -7.841) 11.557 2.530 ( -2.646 -6.316 -6.311) 9.312 2.713 ( -3.993 0.017 3.287) 5.172 2.938 ( 4.989 -2.647 -0.159) 5.650 3.320 ( 1.738 -0.509 -0.787) 1.974 4.119 ( -0.952 1.479 -0.680) 1.886 4.488 ( 0.221 7.523 1.806) 7.740 5.271 ( 2.583 -9.438 -4.324) 10.698 6.195 ( 0.579 -15.063 11.929) 19.223 6.744 ( -1.961 -8.571 -2.023) 9.022 7.156 ( 11.086 -0.364 5.912) 12.569 7.190 ( -13.962 0.148 6.140) 15.254 7.709 ( -2.923 -0.963 -4.060) 5.095 7.815 ( 4.481 8.497 -0.216) 9.608 8.523 ( 1.023 14.345 -10.048) 17.544 12.137 ( -0.032 -5.595 9.850) 11.328 13.300 ( 1.426 27.548 22.707) 35.729 15.450 ( 6.279 7.529 -14.709) 17.676 15.547 ( -2.292 3.583 -4.962) 6.536 16.743 ( -1.447 -9.590 -2.838) 10.106 17.270 ( -2.952 -18.120 5.439) 19.148 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 6.298 9.175 1.332) 11.207 0.996 ( 17.073 -5.297 15.898) 23.922 1.593 ( -4.336 -1.542 0.394) 4.619 2.209 ( -9.903 4.904 -5.349) 12.277 2.396 ( -7.515 -0.171 4.864) 8.953 2.725 ( 1.528 -3.664 3.141) 5.062 3.024 ( 6.205 1.239 -3.757) 7.359 3.346 ( 3.968 -2.117 -3.599) 5.760 4.113 ( -0.633 2.966 -2.032) 3.651 4.568 ( -0.420 5.793 3.807) 6.944 5.182 ( 1.408 -9.657 -6.042) 11.478 6.151 ( -0.354 -8.222 11.498) 14.140 6.592 ( -2.990 -9.949 -4.004) 11.134 6.988 ( -13.360 -0.623 8.147) 15.661 7.365 ( 9.516 0.763 3.125) 10.045 7.667 ( 1.349 -1.547 -3.013) 3.646 7.985 ( 4.906 7.803 2.548) 9.563 8.573 ( -3.371 11.320 -9.083) 14.900 12.229 ( 9.921 -4.975 9.461) 14.584 13.740 ( 0.896 28.517 21.454) 35.697 15.314 ( -13.830 8.598 -16.333) 23.064 15.612 ( 1.308 1.825 -1.117) 2.508 16.610 ( 2.167 -12.670 -1.948) 13.001 17.114 ( 1.332 -15.001 1.670) 15.153 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 12.154 10.791 -6.675) 17.570 1.273 ( 11.615 -5.138 9.174) 15.668 1.421 ( -4.891 -10.882 -6.516) 13.594 2.115 ( -3.542 3.888 -0.595) 5.293 2.344 ( -7.821 4.887 10.355) 13.867 2.729 ( 0.488 -1.459 3.947) 4.237 3.080 ( 2.950 -3.075 -3.259) 5.365 3.346 ( 3.092 -3.316 -8.342) 9.495 4.169 ( 2.990 6.465 -0.090) 7.124 4.635 ( 0.117 3.334 4.843) 5.881 5.053 ( -0.801 -8.325 -8.810) 12.147 6.129 ( -4.799 -2.494 9.640) 11.054 6.419 ( -0.969 -10.882 -5.125) 12.067 6.844 ( -8.810 -0.804 9.637) 13.081 7.521 ( 6.171 1.444 0.267) 6.344 7.673 ( 3.543 -3.285 -1.807) 5.158 8.166 ( 5.247 6.452 5.520) 9.981 8.528 ( -7.375 9.072 -7.906) 14.114 12.480 ( 17.982 -4.265 8.835) 20.484 14.083 ( -6.076 24.122 11.611) 27.452 15.056 ( -13.538 9.035 -10.265) 19.243 15.556 ( -8.562 -3.825 7.880) 12.249 16.572 ( 6.409 -7.256 -3.908) 10.440 17.029 ( 5.147 -12.244 -4.263) 13.949 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 12.773 7.440 -9.130) 17.375 1.158 ( -5.001 -12.190 -9.021) 15.969 1.415 ( 5.803 -4.544 2.637) 7.828 2.145 ( 0.220 4.380 2.340) 4.971 2.330 ( -6.619 3.954 11.883) 14.165 2.773 ( 1.085 2.426 3.740) 4.588 3.024 ( 0.579 -7.026 -5.436) 8.902 3.300 ( 2.297 -5.381 -6.833) 8.996 4.315 ( 3.128 8.663 1.993) 9.423 4.701 ( 1.127 1.790 5.249) 5.659 4.898 ( -1.131 -5.692 -11.730) 13.087 6.037 ( -8.061 -2.527 6.869) 10.888 6.307 ( 1.248 -7.018 -4.267) 8.308 6.777 ( -4.616 -1.920 8.939) 10.242 7.608 ( 2.755 1.699 -1.064) 3.407 7.695 ( 4.355 -4.367 -1.321) 6.308 8.350 ( 4.364 4.517 5.845) 8.580 8.421 ( -8.405 7.435 -4.793) 12.202 12.842 ( 22.310 -3.802 8.080) 24.031 14.023 ( -20.053 9.592 -9.976) 24.365 15.043 ( -2.878 15.916 9.695) 18.857 15.369 ( -13.533 -5.989 11.592) 18.799 16.606 ( 4.772 -2.306 -3.485) 6.343 16.995 ( 8.460 -9.894 -9.457) 16.091 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -4.787 -9.278 -6.696) 12.403 1.174 ( 11.747 2.968 -8.463) 14.779 1.452 ( 2.714 -2.574 -0.442) 3.767 2.170 ( -4.367 4.699 -1.519) 6.592 2.345 ( -4.644 3.772 11.934) 13.350 2.815 ( 0.685 -0.888 -0.280) 1.156 2.971 ( 3.022 -3.491 -2.903) 5.454 3.247 ( 3.667 -6.973 -4.021) 8.846 4.407 ( -3.085 4.629 4.015) 6.861 4.717 ( -4.144 2.125 -2.870) 5.470 4.865 ( 9.034 0.497 -5.578) 10.629 5.922 ( -5.425 -4.015 5.204) 8.523 6.261 ( 1.179 -2.013 -2.777) 3.627 6.731 ( -3.094 -4.279 6.141) 8.099 7.645 ( 0.176 2.291 -1.320) 2.650 7.715 ( 3.835 -3.864 -1.975) 5.791 8.265 ( -9.930 3.865 -2.154) 10.872 8.542 ( 5.536 3.534 6.057) 8.935 13.205 ( 15.434 -1.905 1.204) 15.597 13.642 ( -16.800 -0.248 -7.607) 18.444 15.082 ( -14.517 -5.018 11.537) 19.210 15.315 ( -0.939 15.396 13.643) 20.593 16.632 ( 2.665 -1.092 -3.370) 4.432 17.007 ( 9.483 -6.163 -11.514) 16.139 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -5.914 -1.447 -0.587) 6.116 1.322 ( 8.575 -0.452 -4.933) 9.903 1.469 ( 1.804 -0.499 -1.548) 2.429 2.058 ( -9.296 2.286 -5.647) 11.114 2.385 ( -3.305 5.328 9.311) 11.225 2.814 ( 5.149 -7.945 -5.542) 10.970 2.925 ( -3.407 -2.709 1.601) 4.639 3.307 ( 8.947 0.163 -1.897) 9.147 4.382 ( -4.472 1.711 3.526) 5.946 4.635 ( -4.842 -0.013 -2.767) 5.576 5.043 ( 9.637 6.212 -4.481) 12.311 5.839 ( -3.244 -3.828 4.680) 6.861 6.283 ( 3.262 1.513 -1.338) 3.836 6.657 ( -1.987 -7.244 3.373) 8.234 7.639 ( -3.127 3.276 -1.954) 4.932 7.728 ( 2.689 -1.534 -3.079) 4.366 8.134 ( -7.674 0.574 2.187) 8.000 8.686 ( 4.825 0.995 4.044) 6.374 13.045 ( -18.833 3.711 -18.115) 26.393 13.660 ( 8.850 -8.447 16.940) 20.896 14.864 ( -8.721 -6.320 9.780) 14.548 15.526 ( -0.450 12.345 9.646) 15.673 16.642 ( 2.966 -0.948 -5.030) 5.915 17.051 ( 7.462 -1.437 -10.164) 12.691 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -7.081 9.466 8.131) 14.348 1.377 ( -0.653 -0.868 -2.450) 2.680 1.460 ( -1.948 0.686 -3.537) 4.096 1.903 ( -4.339 -0.401 -1.631) 4.653 2.441 ( -0.816 2.476 4.306) 5.033 2.673 ( -0.288 -12.942 -7.302) 14.862 2.968 ( 3.547 3.931 2.934) 6.053 3.461 ( 6.497 3.580 -1.629) 7.595 4.358 ( -2.551 1.711 2.064) 3.701 4.509 ( -6.435 -3.381 -0.343) 7.277 5.231 ( 7.470 7.406 -5.369) 11.810 5.791 ( -2.197 -2.297 5.204) 6.098 6.385 ( 6.052 3.534 -0.051) 7.008 6.579 ( 1.234 -9.304 1.810) 9.558 7.579 ( -6.555 3.856 -1.571) 7.765 7.743 ( 1.671 1.402 -3.686) 4.283 8.043 ( -4.853 -2.007 4.809) 7.120 8.769 ( 3.523 -1.726 0.757) 3.996 12.680 ( -17.474 6.560 -12.624) 22.533 13.665 ( -11.527 -10.264 19.293) 24.707 14.862 ( 9.435 -6.177 8.820) 14.316 15.631 ( -0.817 3.240 1.932) 3.860 16.669 ( 4.044 1.398 -5.495) 6.965 17.109 ( 4.615 3.303 -7.595) 9.481 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -6.540 16.521 13.778) 22.484 1.182 ( -17.084 5.825 -13.098) 22.301 1.395 ( -4.970 -7.025 8.774) 12.289 1.943 ( 7.273 0.410 4.446) 8.534 2.331 ( -1.835 -15.383 -6.936) 16.974 2.661 ( 5.161 4.771 -0.282) 7.034 3.098 ( 4.180 5.234 1.135) 6.794 3.541 ( -0.541 2.645 -1.663) 3.171 4.296 ( -4.892 -0.818 -5.659) 7.525 4.408 ( -2.757 -2.846 6.674) 7.761 5.364 ( 4.253 5.290 -5.673) 8.846 5.794 ( -0.096 -0.062 7.428) 7.429 6.525 ( 6.226 -4.793 4.939) 9.280 6.578 ( 7.802 -0.614 -2.605) 8.248 7.489 ( -7.578 3.566 0.814) 8.414 7.770 ( 0.906 3.994 -3.360) 5.297 7.974 ( -4.299 -2.310 4.528) 6.657 8.774 ( 1.469 -4.388 -4.061) 6.156 12.450 ( -13.218 11.505 -5.661) 18.415 13.365 ( -22.599 -10.484 19.323) 31.528 15.092 ( 16.278 -7.258 9.224) 20.068 15.581 ( -0.691 -7.167 -6.746) 9.867 16.742 ( 4.477 3.870 -3.992) 7.138 17.191 ( 3.167 8.098 -4.656) 9.864 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -15.071 7.608 -4.167) 17.389 0.914 ( -15.614 -8.819 15.817) 23.912 1.609 ( 1.156 4.961 5.019) 7.151 2.111 ( 7.524 10.255 1.131) 12.770 2.520 ( 9.189 -0.572 4.152) 10.100 2.848 ( 3.499 -6.977 -5.018) 9.280 3.038 ( -13.380 0.791 -7.375) 15.298 3.329 ( -0.902 -0.826 -0.217) 1.242 4.197 ( -1.849 3.240 2.140) 4.300 4.432 ( 0.747 4.840 1.839) 5.231 5.213 ( -0.186 -8.074 -6.534) 10.388 6.044 ( 7.123 -10.400 6.854) 14.348 6.746 ( 5.927 -2.346 4.579) 7.849 6.812 ( 5.376 -4.758 4.004) 8.221 7.566 ( -4.947 7.839 6.789) 11.489 7.760 ( -4.611 0.309 -0.449) 4.643 7.921 ( -6.751 -3.402 -3.110) 8.175 8.411 ( 4.539 10.398 -10.068) 15.169 12.456 ( -17.084 -3.572 8.111) 19.245 13.311 ( -2.456 22.151 19.848) 29.843 15.014 ( 11.504 1.231 -12.704) 17.183 15.527 ( 7.030 -3.754 6.179) 10.085 16.776 ( 0.139 -3.355 -4.393) 5.530 17.392 ( -2.359 -7.849 -2.941) 8.708 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 4.534 2.104 11.703) 12.726 0.683 ( -12.891 -5.192 16.894) 21.875 1.669 ( 0.764 -0.955 -0.258) 1.249 2.366 ( 7.226 11.647 1.924) 13.841 2.531 ( -5.162 -7.593 -2.726) 9.578 2.807 ( 2.818 -2.110 0.100) 3.522 2.863 ( -5.128 3.218 -7.253) 9.447 3.282 ( -1.196 -4.104 -0.253) 4.282 4.191 ( -3.666 3.802 1.589) 5.515 4.545 ( 2.646 7.426 1.082) 7.957 5.090 ( 1.897 -12.168 -4.560) 13.132 6.072 ( 4.592 -11.961 8.120) 15.169 6.698 ( -2.395 -7.049 -1.420) 7.579 6.992 ( 10.926 -1.349 6.826) 12.954 7.486 ( -13.987 1.314 7.996) 16.165 7.735 ( -2.972 -1.995 -3.458) 4.977 7.831 ( 1.966 9.224 -2.740) 9.821 8.557 ( 4.103 11.506 -6.883) 14.021 12.227 ( -9.885 -5.406 9.796) 14.930 13.683 ( 2.070 27.584 20.318) 34.322 15.213 ( 15.041 6.563 -13.220) 21.073 15.595 ( 0.363 0.358 0.389) 0.641 16.676 ( -3.014 -7.717 -4.037) 9.216 17.193 ( -4.974 -15.525 0.324) 16.306 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -4.583 2.628 11.463) 12.622 0.775 ( 13.442 -3.219 15.837) 21.020 1.580 ( -2.855 -9.208 -7.081) 11.962 2.321 ( -7.483 -4.835 -2.563) 9.271 2.568 ( 0.754 11.055 3.314) 11.566 2.754 ( -5.565 1.240 1.694) 5.948 2.910 ( 6.774 2.333 -4.387) 8.401 3.221 ( 1.738 -6.825 -2.406) 7.442 4.172 ( -2.985 4.007 -0.938) 5.084 4.642 ( 0.084 4.614 2.489) 5.243 4.996 ( 3.729 -11.500 -3.954) 12.720 6.096 ( 4.187 -8.025 9.534) 13.147 6.548 ( -4.562 -8.121 -3.432) 9.926 7.191 ( 7.044 -0.753 2.900) 7.655 7.294 ( -10.994 -0.483 8.597) 13.965 7.654 ( -2.063 0.172 -3.373) 3.958 7.991 ( 4.899 9.130 0.411) 10.370 8.663 ( 0.056 10.005 -6.223) 11.782 12.148 ( 0.084 -5.461 10.047) 11.436 14.129 ( 2.242 29.282 19.045) 35.002 15.427 ( 6.233 9.072 -15.866) 19.310 15.566 ( -1.456 3.955 -4.377) 6.077 16.479 ( -4.336 -15.538 2.031) 16.259 16.978 ( -1.721 -15.666 0.466) 15.767 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 4.043 7.345 2.453) 8.736 1.057 ( 13.687 -5.738 11.748) 18.928 1.337 ( -5.052 -13.231 -10.539) 17.654 2.183 ( -3.888 -1.299 0.056) 4.099 2.632 ( -9.295 10.699 5.124) 15.070 2.728 ( 1.207 -0.482 4.173) 4.370 2.992 ( 2.605 -1.426 -2.657) 3.985 3.188 ( 4.682 -4.392 -7.391) 9.790 4.186 ( 1.200 4.850 -0.704) 5.046 4.674 ( 0.130 -1.768 4.060) 4.431 4.930 ( 1.300 -5.709 -5.452) 8.001 6.170 ( 3.511 -2.845 9.144) 10.199 6.344 ( -5.897 -9.414 -5.122) 12.233 7.070 ( -12.150 -1.391 7.609) 14.403 7.401 ( 8.845 0.334 1.074) 8.916 7.623 ( -0.184 0.299 -2.034) 2.064 8.165 ( 5.113 6.549 2.792) 8.765 8.678 ( -4.544 8.466 -5.805) 11.226 12.244 ( 10.184 -5.160 9.583) 14.906 14.494 ( -5.018 25.801 8.984) 27.777 15.317 ( -11.952 10.325 -10.454) 18.940 15.639 ( 1.242 2.018 -0.768) 2.491 16.337 ( 5.497 -15.148 4.252) 16.666 16.827 ( 1.403 -13.410 -3.414) 13.909 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 7.815 6.090 -4.121) 10.730 1.069 ( -4.388 -10.760 -8.995) 14.695 1.249 ( 9.709 -6.158 5.056) 12.560 2.169 ( 0.912 0.526 3.838) 3.980 2.590 ( -8.561 6.136 7.787) 13.099 2.791 ( 1.277 3.498 1.329) 3.954 2.923 ( -1.090 -7.211 -5.457) 9.109 3.187 ( 2.142 -2.300 -4.898) 5.819 4.316 ( 6.737 7.205 0.316) 9.869 4.669 ( 1.935 -7.255 3.735) 8.386 4.857 ( -2.632 0.579 -6.087) 6.657 6.115 ( -5.945 -9.543 -3.089) 11.660 6.248 ( 1.154 0.106 5.073) 5.203 6.918 ( -8.709 -2.076 6.512) 11.071 7.539 ( 6.521 0.916 -1.008) 6.662 7.622 ( 0.760 -0.155 -0.518) 0.933 8.327 ( 5.672 3.351 4.100) 7.759 8.611 ( -8.111 6.882 -4.798) 11.669 12.497 ( 18.295 -4.840 8.840) 20.887 14.420 ( -22.129 11.521 -14.273) 28.743 15.322 ( -3.296 16.361 10.482) 19.708 15.577 ( -8.921 -3.716 8.440) 12.831 16.416 ( 12.244 -4.840 -1.261) 13.226 16.715 ( 4.122 -12.013 -7.356) 14.677 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -3.008 -2.791 -2.663) 4.892 0.971 ( 9.208 2.979 -7.003) 11.946 1.342 ( 6.156 -4.729 0.363) 7.771 2.231 ( 0.675 1.528 3.581) 3.952 2.568 ( -6.567 5.239 9.007) 12.317 2.743 ( -2.269 -5.357 -8.085) 9.960 2.912 ( 4.638 2.557 0.261) 5.303 3.139 ( -0.872 -5.076 -1.890) 5.486 4.494 ( 1.749 5.342 2.391) 6.108 4.675 ( 7.237 -2.916 -3.793) 8.676 4.790 ( -2.905 1.190 -0.937) 3.276 5.933 ( -2.682 -8.935 -1.202) 9.405 6.274 ( -1.992 2.479 2.557) 4.080 6.799 ( -5.963 -3.607 3.718) 7.899 7.619 ( 3.173 -1.633 -1.179) 3.759 7.649 ( 1.799 2.909 0.093) 3.422 8.442 ( -2.216 1.780 1.534) 3.230 8.516 ( -1.723 3.301 -0.631) 3.777 12.855 ( 22.235 -4.418 7.545) 23.892 13.970 ( -25.397 4.362 -15.828) 30.242 15.352 ( -13.768 -5.044 11.478) 18.621 15.554 ( -1.597 12.627 10.315) 16.383 16.549 ( 3.938 -0.862 -2.291) 4.637 16.689 ( 12.492 -6.418 -8.847) 16.598 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -3.291 7.342 4.696) 9.316 1.117 ( 10.521 0.649 -6.426) 12.346 1.392 ( 4.683 -2.498 -0.807) 5.368 2.199 ( -7.278 1.767 -2.705) 7.963 2.568 ( -4.311 3.398 7.635) 9.403 2.633 ( 0.202 -6.877 -4.536) 8.241 2.987 ( -2.688 1.097 1.482) 3.259 3.125 ( 9.427 -0.954 -2.535) 9.809 4.489 ( -3.887 0.094 3.379) 5.151 4.677 ( -3.167 0.473 -6.649) 7.380 4.909 ( 10.936 4.275 1.246) 11.808 5.835 ( -0.212 -7.069 1.902) 7.323 6.280 ( -1.076 3.944 -0.324) 4.101 6.677 ( -5.171 -5.245 1.651) 7.549 7.633 ( 1.712 -2.418 0.153) 2.966 7.710 ( 0.906 4.997 -1.820) 5.395 8.320 ( -10.356 2.177 1.366) 10.670 8.600 ( 6.043 -2.403 1.000) 6.580 13.176 ( 8.500 0.999 -3.331) 9.184 13.568 ( -10.041 -2.198 0.129) 10.279 15.095 ( -16.084 -6.425 10.818) 20.421 15.660 ( -0.885 3.258 1.913) 3.880 16.554 ( 2.612 -0.653 -3.545) 4.452 16.857 ( 10.693 3.455 -4.481) 12.098 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -3.763 13.352 9.338) 16.723 1.254 ( 8.777 -0.662 -4.064) 9.695 1.449 ( 3.318 0.650 -1.835) 3.847 2.027 ( -10.353 1.743 -4.526) 11.433 2.481 ( -5.066 -12.273 -2.094) 13.442 2.586 ( -0.943 2.218 3.753) 4.460 2.987 ( 0.637 3.866 2.123) 4.456 3.319 ( 11.411 2.927 -2.594) 12.063 4.453 ( -3.831 1.672 3.328) 5.343 4.557 ( -4.787 -4.302 -2.902) 7.060 5.138 ( 9.019 6.753 -2.541) 11.551 5.795 ( 0.488 -5.655 4.161) 7.038 6.330 ( 3.197 4.784 -2.435) 6.248 6.549 ( -4.231 -5.943 2.212) 7.623 7.631 ( 0.084 -1.836 0.550) 1.918 7.754 ( -0.299 6.509 -3.770) 7.528 8.185 ( -8.844 0.117 5.235) 10.278 8.657 ( 5.164 -5.249 -1.810) 7.582 13.006 ( -17.890 10.549 -11.287) 23.637 13.677 ( 10.148 -10.180 16.516) 21.895 14.857 ( -9.491 -5.905 9.135) 14.435 15.603 ( -0.483 -8.211 -7.784) 11.325 16.607 ( 3.289 3.558 -1.493) 5.070 17.039 ( 6.463 7.890 -2.515) 10.505 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -3.904 14.647 10.000) 18.160 1.329 ( 1.209 -1.704 -1.069) 2.347 1.442 ( -4.392 3.708 -5.996) 8.306 1.916 ( -1.339 1.642 2.792) 3.505 2.228 ( -6.233 -13.941 -3.203) 15.603 2.632 ( 1.872 2.524 1.623) 3.537 3.090 ( 3.870 5.457 1.434) 6.842 3.495 ( 6.744 2.672 -2.641) 7.720 4.357 ( -7.123 -3.318 -3.964) 8.801 4.472 ( -2.373 -0.679 5.916) 6.410 5.300 ( 5.471 5.795 -6.093) 10.032 5.791 ( 2.043 -4.668 5.177) 7.264 6.436 ( 3.781 -1.911 2.109) 4.733 6.479 ( 2.030 1.157 0.335) 2.361 7.602 ( -2.913 -0.123 1.097) 3.115 7.794 ( 0.221 7.105 -4.048) 8.180 8.086 ( -6.792 -0.995 7.271) 10.000 8.646 ( 3.304 -7.399 -5.509) 9.798 12.800 ( -14.982 15.522 -4.418) 22.021 13.679 ( -10.645 -11.194 18.205) 23.876 14.841 ( 8.621 -5.803 7.269) 12.682 15.417 ( 0.122 -14.530 -12.653) 19.268 16.698 ( 3.450 4.082 -1.376) 5.519 17.203 ( 3.912 10.228 -1.787) 11.095 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -17.470 6.506 -7.182) 19.978 1.155 ( -11.417 -6.429 11.072) 17.154 1.579 ( 3.026 -2.096 -1.917) 4.150 2.126 ( 7.228 11.813 1.081) 13.891 2.407 ( 7.626 0.705 6.989) 10.368 2.701 ( 2.700 -5.051 -3.811) 6.880 3.211 ( -12.759 -3.964 -4.229) 14.014 3.298 ( 1.906 -0.717 -3.153) 3.753 4.262 ( 2.121 6.217 4.139) 7.764 4.489 ( -2.244 1.599 1.169) 2.993 5.121 ( -2.756 -5.875 -8.738) 10.884 5.866 ( 6.570 -7.217 3.184) 10.266 6.657 ( 6.494 -1.207 6.325) 9.145 6.713 ( 3.371 -4.840 3.872) 7.055 7.664 ( 1.321 2.888 0.029) 3.176 7.931 ( -10.496 1.967 6.307) 12.402 7.973 ( -4.812 -1.692 -2.414) 5.643 8.344 ( 7.235 7.550 -7.069) 12.622 12.807 ( -21.527 -2.772 7.361) 22.919 13.606 ( 2.524 15.539 8.841) 18.055 14.814 ( 7.089 4.928 -4.515) 9.743 15.362 ( 12.313 -5.744 10.318) 17.060 16.722 ( -0.308 -2.455 -4.311) 4.971 17.342 ( -2.897 -5.441 -7.393) 9.626 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -9.337 6.521 1.028) 11.435 0.960 ( -13.108 -4.490 13.803) 19.558 1.570 ( 2.688 -6.488 -5.814) 9.117 2.386 ( 7.441 12.290 0.146) 14.368 2.506 ( 0.059 -4.843 3.862) 6.195 2.674 ( 5.075 -3.345 -4.514) 7.571 2.970 ( -8.396 -1.368 -3.592) 9.234 3.273 ( -1.388 -2.002 -2.416) 3.431 4.315 ( -4.361 3.779 2.347) 6.230 4.562 ( 4.425 7.151 1.225) 8.498 4.949 ( -2.529 -10.696 -4.369) 11.828 5.918 ( 5.971 -8.162 4.522) 11.078 6.655 ( -1.004 -6.132 -1.491) 6.390 6.848 ( 9.092 -2.220 8.299) 12.509 7.697 ( -0.385 -2.268 -0.985) 2.502 7.764 ( -9.327 -1.546 2.444) 9.765 7.928 ( -4.298 10.585 -0.052) 11.425 8.527 ( 7.286 8.882 -4.243) 12.247 12.475 ( -17.787 -4.856 9.256) 20.631 13.939 ( 9.016 20.616 8.109) 23.918 15.012 ( 9.157 10.169 -2.861) 13.980 15.537 ( 7.048 -3.295 6.893) 10.394 16.638 ( -2.587 -4.508 -4.867) 7.120 17.129 ( -5.942 -12.948 -6.122) 15.506 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 3.313 2.622 9.451) 10.352 0.814 ( -9.468 -1.076 13.966) 16.907 1.447 ( -0.783 -12.046 -10.148) 15.770 2.360 ( -5.121 -6.058 -2.289) 8.256 2.634 ( 4.006 7.266 5.683) 10.057 2.768 ( 9.063 2.693 -5.956) 11.174 2.859 ( -3.138 1.037 -1.709) 3.720 3.185 ( -4.423 -2.806 -1.411) 5.425 4.267 ( -4.597 2.571 -1.342) 5.436 4.688 ( -0.362 1.514 2.657) 3.080 4.820 ( 3.134 -6.997 -1.594) 7.831 5.983 ( 6.366 -6.083 7.044) 11.276 6.531 ( -4.103 -7.153 -3.084) 8.804 7.035 ( 10.135 -1.273 4.172) 11.034 7.540 ( -11.631 -3.227 4.194) 12.778 7.681 ( -2.598 -0.079 -1.407) 2.955 8.024 ( 1.790 10.808 -0.309) 10.959 8.688 ( 4.040 8.170 -3.721) 9.845 12.241 ( -9.985 -5.399 10.098) 15.192 14.388 ( 11.347 24.394 6.411) 27.657 15.262 ( 9.558 10.952 -3.766) 15.016 15.612 ( 0.443 0.424 1.001) 1.174 16.468 ( -7.540 -9.269 -1.377) 12.027 16.857 ( -3.768 -16.505 -3.659) 17.321 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -3.097 2.028 9.143) 9.864 0.874 ( 8.704 -3.278 10.344) 13.911 1.215 ( -3.425 -12.474 -10.632) 16.744 2.223 ( -3.600 -3.425 -0.864) 5.044 2.729 ( 0.773 0.135 2.066) 2.210 2.839 ( -0.444 3.628 -0.001) 3.655 2.930 ( 4.183 2.867 -2.260) 5.552 3.082 ( -2.218 0.419 -2.035) 3.039 4.214 ( -1.779 1.425 -1.914) 2.976 4.630 ( 0.145 -9.813 4.116) 10.642 4.867 ( 1.803 3.339 -2.640) 4.622 6.101 ( 6.580 -2.352 7.731) 10.421 6.342 ( -6.368 -7.480 -4.868) 10.964 7.204 ( 6.691 -1.290 2.678) 7.321 7.343 ( -8.927 -2.120 3.647) 9.873 7.641 ( -1.730 1.002 -0.883) 2.186 8.163 ( 3.671 7.066 0.349) 7.971 8.770 ( -0.554 7.045 -3.988) 8.114 12.161 ( 0.019 -5.594 10.051) 11.502 14.810 ( 3.730 25.483 -1.924) 25.826 15.471 ( 3.085 9.899 -3.837) 11.056 15.595 ( -0.375 4.143 -3.986) 5.762 16.222 ( -6.020 -17.801 10.202) 21.382 16.659 ( 0.276 -13.268 -4.634) 14.056 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 1.430 1.662 2.418) 3.264 0.991 ( 0.305 -6.818 -2.827) 7.387 1.057 ( 6.546 -5.624 3.225) 9.213 2.176 ( 0.320 -0.595 1.789) 1.912 2.724 ( -1.169 -0.320 0.225) 1.232 2.855 ( -1.767 -4.516 -4.205) 6.418 2.887 ( -3.722 4.214 3.525) 6.637 3.138 ( 1.737 4.477 -1.294) 4.973 4.250 ( 5.475 2.283 -0.422) 5.947 4.579 ( 1.518 -8.729 3.957) 9.704 4.883 ( -1.297 3.025 -3.783) 5.015 6.093 ( -6.207 -7.616 -6.394) 11.722 6.257 ( 3.573 0.349 7.113) 7.968 7.102 ( -11.223 -3.031 4.845) 12.595 7.408 ( 8.880 0.528 -0.999) 8.952 7.630 ( -0.649 1.479 0.041) 1.616 8.285 ( 4.345 2.674 1.319) 5.270 8.760 ( -4.966 5.641 -4.148) 8.584 12.253 ( 10.200 -5.575 9.400) 14.949 14.804 ( -19.251 14.084 -20.526) 31.468 15.571 ( -1.845 10.505 8.727) 13.781 15.678 ( 0.982 4.218 0.253) 4.338 16.132 ( 9.496 -14.189 9.339) 19.460 16.537 ( 1.229 -8.408 -4.486) 9.609 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 4.694 0.357 -1.298) 4.883 0.947 ( -1.265 4.503 0.764) 4.739 1.158 ( 8.780 -6.910 1.740) 11.308 2.233 ( 3.086 1.458 3.498) 4.887 2.661 ( -4.558 -3.856 -2.288) 6.393 2.771 ( 0.044 0.182 -1.385) 1.397 2.897 ( -2.568 3.355 1.810) 4.597 3.150 ( -2.813 0.910 0.342) 2.976 4.437 ( 11.270 5.387 -0.450) 12.500 4.553 ( 1.412 -6.363 3.958) 7.626 4.839 ( -3.267 0.727 -3.763) 5.036 5.886 ( -4.266 -6.873 -5.007) 9.513 6.345 ( 0.224 2.270 4.884) 5.390 6.912 ( -9.449 -3.427 1.666) 10.188 7.539 ( 5.672 0.882 -1.224) 5.869 7.653 ( 1.027 2.219 1.260) 2.751 8.379 ( 5.176 -1.672 1.404) 5.618 8.670 ( -8.144 3.905 -3.458) 9.671 12.501 ( 18.369 -5.449 8.538) 20.977 14.366 ( -26.210 6.835 -19.668) 33.474 15.565 ( -8.843 -4.339 8.789) 13.201 15.696 ( -1.743 0.572 0.740) 1.978 16.369 ( 17.137 2.793 2.756) 17.580 16.489 ( 1.305 -2.031 -1.011) 2.618 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 8.047 -0.230 -5.589) 9.800 1.041 ( -0.658 11.445 7.091) 13.479 1.246 ( 7.926 -4.654 0.015) 9.191 2.295 ( -1.798 2.138 0.591) 2.855 2.527 ( -2.558 -4.034 -3.329) 5.822 2.773 ( -5.760 0.141 7.397) 9.377 2.930 ( 7.736 0.883 -4.270) 8.881 3.092 ( -5.074 2.544 0.489) 5.697 4.538 ( -0.260 -2.407 3.680) 4.405 4.660 ( 3.427 3.799 -7.552) 9.122 4.793 ( 5.273 -0.478 4.104) 6.699 5.771 ( -0.283 -4.681 -1.744) 5.003 6.367 ( -3.066 3.538 1.867) 5.040 6.736 ( -6.869 -4.079 -0.917) 8.041 7.597 ( 1.550 0.520 -0.424) 1.689 7.723 ( 2.276 3.595 0.781) 4.326 8.444 ( 5.637 -5.166 0.360) 7.655 8.531 ( -9.285 1.850 -1.491) 9.584 12.851 ( 22.233 -4.936 7.229) 23.895 13.885 ( -24.013 5.201 -13.107) 27.847 15.363 ( -14.451 -6.418 10.485) 18.972 15.607 ( 0.312 -10.306 -9.749) 14.190 16.524 ( 1.625 2.806 1.885) 3.750 16.714 ( 12.736 10.232 2.307) 16.499 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 9.995 1.301 -6.947) 12.242 1.194 ( -0.738 11.544 7.898) 14.007 1.347 ( 7.295 -1.237 0.010) 7.400 2.196 ( -9.228 2.064 -3.318) 10.022 2.437 ( -3.847 -6.597 -1.603) 7.803 2.684 ( -4.624 -3.519 7.376) 9.390 3.055 ( -1.689 5.412 -1.318) 5.820 3.130 ( 11.272 4.792 -1.917) 12.398 4.525 ( -1.758 -2.759 0.946) 3.405 4.568 ( -3.732 -2.639 -1.462) 4.799 5.027 ( 10.563 5.899 1.128) 12.151 5.743 ( 1.137 -3.873 1.392) 4.270 6.352 ( -2.136 4.026 -2.278) 5.095 6.595 ( -4.806 -3.418 0.330) 5.907 7.618 ( 0.458 0.467 0.731) 0.981 7.790 ( 0.917 4.776 -1.761) 5.172 8.382 ( -9.719 0.634 3.736) 10.432 8.474 ( 6.223 -8.195 -3.247) 10.790 13.182 ( 11.261 1.153 0.453) 11.329 13.561 ( -8.802 1.056 0.496) 8.879 15.094 ( -16.151 -6.391 9.971) 20.028 15.406 ( 0.565 -16.191 -14.376) 21.660 16.605 ( 2.004 4.186 1.869) 5.003 17.012 ( 7.833 12.003 1.411) 14.403 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 9.180 1.283 -5.291) 10.673 1.323 ( -1.360 9.747 5.445) 11.247 1.453 ( 4.101 2.159 -1.881) 5.002 2.044 ( -8.470 2.126 0.157) 8.735 2.223 ( -8.323 -10.192 -0.796) 13.183 2.662 ( -1.104 -0.587 4.750) 4.912 3.098 ( 1.352 5.398 -0.829) 5.626 3.366 ( 10.351 5.739 -2.391) 12.075 4.386 ( -4.710 -7.429 -2.772) 9.223 4.549 ( -2.022 0.612 5.476) 5.869 5.223 ( 6.169 6.112 -4.983) 10.013 5.733 ( 1.169 -4.921 3.876) 6.372 6.368 ( 2.704 1.693 -3.328) 4.610 6.522 ( -2.776 0.269 3.573) 4.533 7.632 ( -0.356 0.732 1.449) 1.662 7.833 ( 0.362 5.977 -4.034) 7.220 8.261 ( -8.447 -0.461 7.536) 11.329 8.455 ( 4.865 -9.431 -5.870) 12.127 13.175 ( -12.262 14.753 -3.851) 19.566 13.655 ( 10.225 -9.403 11.407) 17.975 14.851 ( -10.026 -5.631 8.912) 14.548 15.159 ( 1.107 -17.739 -14.245) 22.777 16.686 ( 2.056 3.502 0.298) 4.072 17.232 ( 4.302 11.015 -0.366) 11.831 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -13.282 2.778 -4.852) 14.411 1.302 ( -6.365 -1.799 2.122) 6.946 1.481 ( 1.834 -4.633 -4.924) 7.005 2.082 ( 8.940 8.677 0.098) 12.459 2.338 ( 6.747 -0.610 6.912) 9.678 2.630 ( -1.004 -3.540 -0.669) 3.740 3.224 ( 2.149 -1.678 -1.335) 3.036 3.356 ( -10.775 -4.012 -4.584) 12.378 4.300 ( 4.211 6.936 5.717) 9.926 4.530 ( -1.828 -1.425 -0.774) 2.444 5.091 ( -4.059 -0.532 -10.487) 11.258 5.737 ( 3.256 -4.472 2.499) 6.071 6.560 ( 6.841 -0.294 1.629) 7.039 6.660 ( 1.017 -5.752 8.271) 10.126 7.639 ( 1.220 -0.811 -2.505) 2.902 7.983 ( -3.236 -4.289 -3.792) 6.576 8.177 ( -0.070 9.613 3.438) 10.209 8.265 ( -0.184 2.508 2.018) 3.224 13.190 ( -20.375 -3.106 5.552) 21.345 13.575 ( 10.776 3.487 -7.705) 13.699 14.862 ( 1.181 12.091 9.552) 15.454 15.144 ( 13.614 -4.191 12.924) 19.234 16.689 ( -1.207 -1.763 -3.915) 4.460 17.294 ( -3.479 -4.546 -9.969) 11.496 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -13.305 5.298 -2.645) 14.563 1.183 ( -8.694 -2.496 8.231) 12.230 1.413 ( 1.821 -8.446 -8.264) 11.956 2.324 ( 8.790 7.411 -2.979) 11.877 2.478 ( 5.750 -0.188 6.021) 8.327 2.566 ( -0.289 -3.386 -2.381) 4.149 3.086 ( -10.673 -4.412 -2.203) 11.757 3.241 ( 1.463 -1.462 -2.509) 3.252 4.418 ( -2.941 1.867 1.270) 3.708 4.552 ( 5.527 6.512 1.672) 8.703 4.926 ( -6.545 -4.958 -4.508) 9.367 5.776 ( 5.084 -4.554 2.039) 7.124 6.594 ( 0.367 -5.343 -1.421) 5.541 6.736 ( 6.982 -3.312 8.661) 11.607 7.641 ( 1.843 -1.557 -2.535) 3.500 7.857 ( -4.994 -2.665 -2.629) 6.241 8.174 ( -8.973 8.569 5.749) 13.675 8.436 ( 9.744 6.220 -1.626) 11.674 12.826 ( -21.697 -4.178 7.901) 23.466 13.831 ( 17.955 8.289 -7.974) 21.323 15.100 ( 2.286 16.099 10.655) 19.441 15.393 ( 10.693 -3.500 11.438) 16.044 16.613 ( -2.002 -2.998 -4.416) 5.701 17.071 ( -6.761 -10.226 -10.744) 16.300 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -5.841 5.236 2.088) 8.118 1.060 ( -10.346 -1.015 10.975) 15.117 1.272 ( 0.107 -11.684 -10.230) 15.530 2.351 ( -2.433 -5.590 -3.120) 6.849 2.600 ( 6.702 -0.277 -2.105) 7.031 2.656 ( 6.642 8.070 2.716) 10.799 2.903 ( -5.136 -2.148 -1.151) 5.685 3.221 ( -1.109 -0.774 -2.057) 2.462 4.349 ( -4.620 0.698 -2.490) 5.295 4.734 ( -5.815 -8.343 0.506) 10.183 4.744 ( 4.563 7.697 2.622) 9.324 5.856 ( 6.838 -3.230 4.505) 8.802 6.501 ( -2.487 -6.858 -2.597) 7.743 6.884 ( 8.545 -1.968 4.286) 9.761 7.621 ( -1.498 -2.405 -1.579) 3.244 7.737 ( -4.789 -1.978 0.097) 5.182 8.160 ( -5.121 9.032 1.784) 10.535 8.641 ( 7.670 6.007 -1.407) 9.843 12.491 ( -17.807 -4.969 9.490) 20.781 14.242 ( 23.121 13.466 -10.010) 28.568 15.359 ( 1.495 15.657 11.087) 19.243 15.564 ( 5.812 -2.183 7.290) 9.576 16.505 ( -4.872 -3.315 -3.454) 6.831 16.751 ( -7.604 -15.526 -8.717) 19.361 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 1.423 0.479 4.043) 4.313 0.947 ( -8.615 -0.929 9.497) 12.856 1.098 ( -1.647 -8.491 -6.087) 10.577 2.224 ( -2.620 -4.988 -2.713) 6.253 2.708 ( 5.038 1.384 -0.528) 5.251 2.779 ( 1.644 -0.978 -0.193) 1.922 2.893 ( 3.262 3.650 -0.336) 4.907 3.176 ( -2.901 2.488 -0.973) 3.944 4.259 ( -4.485 0.144 -1.760) 4.820 4.582 ( -3.079 -8.353 3.523) 9.574 4.872 ( 1.963 5.049 -0.668) 5.458 6.005 ( 8.207 -0.316 6.897) 10.725 6.343 ( -5.351 -6.714 -5.174) 10.024 7.041 ( 9.928 -1.446 1.305) 10.117 7.500 ( -8.518 -3.107 0.808) 9.103 7.677 ( -1.782 -0.568 0.981) 2.112 8.197 ( -0.292 6.591 -0.830) 6.649 8.785 ( 3.707 5.052 -2.215) 6.646 12.255 ( -10.181 -5.618 10.080) 15.390 14.722 ( 22.508 17.617 -16.184) 32.847 15.571 ( -1.191 12.196 8.983) 15.194 15.632 ( 1.033 0.099 1.820) 2.095 16.268 ( -12.079 -14.261 2.617) 18.871 16.514 ( -0.202 -8.739 -3.995) 9.611 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.184 -2.123 5.021) 5.455 0.892 ( -0.006 -4.090 6.106) 7.349 1.010 ( -0.998 -0.520 -0.056) 1.126 2.160 ( 0.698 -1.677 -1.097) 2.122 2.729 ( -0.794 0.839 -2.476) 2.732 2.816 ( 1.011 -2.156 -0.769) 2.502 2.939 ( 0.922 0.828 1.376) 1.852 3.196 ( -0.225 5.180 0.846) 5.254 4.213 ( -0.142 0.990 1.578) 1.868 4.507 ( 0.238 -6.469 2.846) 7.072 4.908 ( -0.637 2.577 -2.942) 3.963 6.106 ( -6.111 -4.798 -4.477) 8.968 6.214 ( 5.738 0.449 4.205) 7.128 7.207 ( 8.468 -1.296 2.128) 8.826 7.310 ( -8.604 -2.479 -1.049) 9.015 7.661 ( -0.953 0.534 1.317) 1.711 8.254 ( 2.089 2.339 -1.104) 3.324 8.836 ( -0.922 3.855 -3.260) 5.132 12.167 ( -0.214 -5.991 9.841) 11.524 15.011 ( 0.159 16.293 -28.064) 32.451 15.592 ( 0.919 2.338 -4.514) 5.166 15.729 ( 1.762 4.274 1.453) 4.846 16.009 ( -2.655 -17.358 20.439) 26.946 16.464 ( 0.107 -0.789 1.273) 1.502 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.033 -3.562 4.571) 5.886 0.929 ( 7.481 -7.736 3.152) 11.213 1.060 ( 0.648 8.890 4.314) 9.903 2.201 ( 3.941 1.484 0.652) 4.261 2.715 ( 0.795 -1.800 -5.223) 5.582 2.724 ( -5.757 1.074 -1.585) 6.067 2.981 ( -1.037 -0.054 4.600) 4.715 3.225 ( -1.588 2.006 1.601) 3.018 4.322 ( 7.335 5.126 3.820) 9.730 4.487 ( 2.122 -5.222 2.295) 6.086 4.870 ( -2.778 0.001 -4.328) 5.143 5.893 ( -6.745 -4.530 -6.128) 10.177 6.359 ( 4.017 2.723 4.350) 6.517 7.068 ( -11.857 -3.542 0.384) 12.381 7.406 ( 10.357 0.953 -1.627) 10.527 7.671 ( 0.099 1.264 1.854) 2.246 8.291 ( 2.744 -2.491 -0.807) 3.793 8.795 ( -4.966 2.621 -3.418) 6.574 12.250 ( 10.052 -6.054 9.138) 14.873 14.723 ( -21.521 6.453 -24.803) 33.466 15.569 ( 1.545 -8.821 -9.650) 13.165 15.696 ( -3.281 -5.117 1.838) 6.350 16.200 ( 13.704 4.737 15.065) 20.909 16.509 ( -0.017 5.014 6.221) 7.990 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 3.357 -4.243 -1.517) 5.619 1.021 ( 10.247 -7.932 2.986) 13.298 1.224 ( 0.093 13.542 6.577) 15.055 2.303 ( 3.604 2.885 0.504) 4.644 2.576 ( -6.254 -1.669 -2.486) 6.934 2.764 ( 5.204 3.831 -5.230) 8.314 2.915 ( -6.235 -6.211 5.133) 10.188 3.223 ( -3.382 4.417 2.307) 6.022 4.493 ( 2.992 -3.849 0.218) 4.880 4.573 ( 9.229 6.748 3.994) 12.111 4.773 ( -2.739 -2.698 -1.778) 4.236 5.749 ( -2.691 -1.673 -3.647) 4.831 6.445 ( 0.006 3.512 2.274) 4.184 6.830 ( -10.379 -3.725 -3.191) 11.480 7.555 ( 5.667 2.281 -1.317) 6.249 7.718 ( 2.204 1.739 2.525) 3.776 8.287 ( 3.484 -7.099 -2.170) 8.200 8.691 ( -7.484 1.476 -1.260) 7.731 12.489 ( 18.323 -5.901 8.309) 20.966 14.247 ( -22.606 2.975 -18.079) 29.098 15.381 ( 0.189 -14.781 -14.838) 20.945 15.570 ( -9.519 -5.450 8.298) 13.754 16.514 ( 6.861 4.175 2.708) 8.475 16.689 ( 7.429 13.110 9.977) 18.072 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 9.264 -0.572 -6.709) 11.453 1.161 ( 11.005 -4.871 4.239) 12.759 1.370 ( -1.322 10.910 4.205) 11.767 2.313 ( -4.412 1.111 -4.050) 6.091 2.470 ( -4.671 -1.893 0.162) 5.043 2.753 ( -5.960 -7.460 6.364) 11.475 2.921 ( 10.904 5.551 -6.376) 13.797 3.226 ( -4.517 7.084 3.200) 8.990 4.478 ( 0.253 -6.018 -2.787) 6.637 4.601 ( -2.262 -2.203 -0.152) 3.161 4.928 ( 10.212 6.978 6.522) 13.983 5.713 ( 0.217 -0.000 -0.831) 0.859 6.445 ( -5.138 3.608 -1.338) 6.419 6.635 ( -4.739 -2.767 -3.278) 6.392 7.629 ( 1.098 2.855 -0.087) 3.060 7.795 ( 2.378 2.566 0.669) 3.561 8.251 ( 5.093 -9.992 -5.084) 12.314 8.569 ( -8.256 0.253 3.396) 8.930 12.836 ( 22.604 -5.433 7.304) 24.368 13.838 ( -17.526 3.116 -11.562) 21.226 15.132 ( -0.585 -15.411 -15.869) 22.128 15.363 ( -13.982 -6.648 10.038) 18.451 16.628 ( 1.855 3.989 2.525) 5.072 17.019 ( 8.304 13.499 4.327) 16.429 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 11.557 2.509 -8.823) 14.754 1.341 ( 9.839 -0.873 4.084) 10.689 1.447 ( -1.401 6.872 1.415) 7.154 2.191 ( -6.684 0.468 -3.212) 7.431 2.281 ( -9.775 -9.053 -0.694) 13.341 2.698 ( -1.178 -1.691 6.074) 6.414 3.104 ( 5.308 5.554 -5.160) 9.254 3.293 ( 3.390 8.737 2.053) 9.594 4.355 ( -2.936 -7.820 -2.672) 8.770 4.587 ( 0.446 -2.214 3.525) 4.187 5.169 ( 5.854 7.287 0.659) 9.371 5.716 ( -0.273 -1.116 2.259) 2.535 6.355 ( -3.029 0.720 -4.965) 5.860 6.585 ( -1.372 1.644 1.169) 2.439 7.660 ( -0.462 1.712 1.079) 2.076 7.848 ( 1.209 4.264 -3.262) 5.503 8.212 ( 5.829 -10.076 -5.997) 13.094 8.460 ( -7.985 -0.720 7.599) 11.046 13.205 ( 19.621 -3.326 5.717) 20.706 13.588 ( -8.625 2.844 -6.522) 11.181 14.893 ( -0.125 -12.992 -12.012) 17.695 15.098 ( -15.811 -6.919 10.530) 20.217 16.699 ( 0.932 3.316 1.112) 3.619 17.264 ( 4.615 10.782 0.022) 11.728 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.897 1.143 -3.985) 4.242 1.339 ( 0.547 -9.438 -7.704) 12.195 1.432 ( -7.736 3.073 -6.159) 10.354 2.037 ( 6.142 7.344 3.867) 10.325 2.237 ( 7.748 -2.415 7.259) 10.888 2.643 ( -3.462 -2.625 1.240) 4.518 3.180 ( -0.203 -2.412 -1.130) 2.671 3.445 ( -6.711 -3.066 -4.111) 8.446 4.329 ( 4.330 6.720 5.593) 9.756 4.516 ( -0.008 -3.068 -0.751) 3.159 5.112 ( -4.461 3.722 -12.429) 13.720 5.701 ( -0.957 -2.481 1.983) 3.318 6.451 ( 6.541 0.602 1.516) 6.742 6.657 ( -1.837 -6.722 8.462) 10.962 7.586 ( 1.833 -0.657 -3.859) 4.323 7.944 ( 0.823 -1.120 -6.788) 6.929 8.120 ( 6.519 1.202 2.697) 7.157 8.474 ( -7.734 4.911 7.916) 12.108 13.200 ( 12.298 -2.721 -19.758) 23.431 13.557 ( -8.953 -4.111 12.130) 15.626 14.856 ( 8.406 -4.788 9.532) 13.581 15.193 ( 0.131 15.974 16.203) 22.753 16.683 ( -2.478 -1.087 -3.716) 4.597 17.253 ( -3.975 -3.847 -10.946) 12.265 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -9.779 1.510 -2.239) 10.145 1.223 ( 1.635 -9.470 -7.084) 11.939 1.320 ( -4.438 0.950 -2.908) 5.390 2.240 ( 6.722 5.144 0.034) 8.465 2.402 ( 7.322 2.071 6.990) 10.333 2.563 ( -2.817 -2.275 -0.902) 3.731 3.160 ( 2.353 -4.234 -1.109) 4.969 3.225 ( -11.040 -4.128 -2.616) 12.074 4.471 ( -2.077 -0.667 -0.858) 2.344 4.528 ( 6.512 7.191 3.745) 10.399 4.986 ( -6.184 0.399 -7.082) 9.410 5.693 ( 1.876 -1.674 0.884) 2.665 6.528 ( 1.162 -3.231 -1.642) 3.806 6.647 ( 4.386 -5.759 9.113) 11.638 7.589 ( 1.232 -0.343 -2.352) 2.677 7.878 ( -2.625 -1.866 -3.922) 5.075 8.296 ( 9.749 1.637 1.047) 9.941 8.436 ( -7.444 6.684 5.317) 11.330 13.163 ( -12.962 -1.080 -1.557) 13.099 13.525 ( 12.423 0.376 -3.467) 12.904 15.084 ( 14.153 -3.523 10.600) 18.030 15.444 ( 0.284 14.255 14.055) 20.020 16.599 ( -2.558 -2.177 -3.980) 5.208 17.038 ( -7.228 -6.545 -11.714) 15.242 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -9.201 2.579 -1.596) 9.688 1.103 ( 0.379 -8.317 -7.956) 11.516 1.251 ( -5.964 0.717 5.114) 7.889 2.301 ( 0.108 -3.969 -3.235) 5.121 2.519 ( 1.915 0.884 -0.245) 2.123 2.628 ( 7.403 6.905 4.672) 11.150 2.993 ( -9.154 -2.305 -2.286) 9.713 3.164 ( 3.289 -4.525 -1.267) 5.735 4.419 ( -3.596 1.556 -1.457) 4.180 4.702 ( 3.502 2.751 -0.630) 4.498 4.839 ( -6.021 -0.430 1.681) 6.266 5.753 ( 5.317 -0.030 2.250) 5.773 6.453 ( -1.496 -6.835 -1.478) 7.152 6.755 ( 6.916 -2.417 3.604) 8.165 7.594 ( 0.974 -0.418 -1.227) 1.621 7.782 ( -3.792 -2.310 -1.993) 4.866 8.349 ( -6.232 4.085 1.795) 7.665 8.539 ( 8.942 4.050 0.874) 9.855 12.838 ( -21.059 -3.997 7.446) 22.692 13.864 ( 24.362 8.796 -11.311) 28.264 15.352 ( 12.988 -3.663 10.873) 17.330 15.630 ( -0.422 9.212 8.348) 12.439 16.517 ( -2.266 -1.344 -2.306) 3.501 16.741 ( -11.440 -7.677 -10.015) 17.033 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -4.844 2.343 -0.824) 5.444 1.007 ( -0.809 -1.949 -3.843) 4.385 1.174 ( -8.442 -1.112 9.626) 12.852 2.188 ( -2.370 -5.704 -4.533) 7.662 2.609 ( 6.437 1.687 0.035) 6.655 2.795 ( -0.852 1.878 1.819) 2.750 2.883 ( 1.032 2.835 -0.663) 3.089 3.168 ( 2.511 -2.554 -1.379) 3.838 4.361 ( -5.610 3.706 -0.209) 6.727 4.603 ( -5.677 -6.325 0.466) 8.512 4.884 ( 1.759 3.645 1.307) 4.253 5.905 ( 8.470 2.267 4.904) 10.046 6.329 ( -3.784 -6.198 -4.123) 8.351 6.870 ( 8.253 -2.277 0.223) 8.564 7.577 ( -3.065 -0.968 -0.188) 3.219 7.696 ( -2.003 -2.225 0.192) 3.000 8.289 ( -4.757 3.453 -1.103) 5.981 8.719 ( 7.393 2.746 -0.392) 7.896 12.504 ( -17.854 -5.318 9.331) 20.835 14.341 ( 26.739 13.435 -15.384) 33.647 15.562 ( 8.361 -3.858 8.677) 12.652 15.695 ( 0.037 -0.485 -0.866) 0.993 16.389 ( -15.172 -5.904 -2.804) 16.520 16.490 ( -1.907 1.784 2.014) 3.297 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -1.827 0.680 -0.408) 1.992 0.993 ( -3.581 2.751 4.312) 6.244 1.069 ( -5.471 -2.099 9.395) 11.073 2.107 ( 1.158 -2.351 -4.032) 4.809 2.723 ( 0.889 -2.541 -2.363) 3.582 2.769 ( 3.841 4.306 -0.070) 5.771 2.943 ( 0.048 0.118 1.349) 1.355 3.201 ( 2.580 0.422 0.783) 2.729 4.308 ( -5.384 4.124 3.886) 7.816 4.482 ( -2.375 -4.618 0.703) 5.240 4.921 ( -0.290 1.451 -1.621) 2.194 6.123 ( 9.108 3.480 4.687) 10.818 6.150 ( -6.900 -4.779 -5.571) 10.074 7.007 ( 10.974 -1.835 -1.795) 11.271 7.451 ( -9.070 -2.406 0.169) 9.385 7.678 ( 0.073 -0.968 1.908) 2.141 8.250 ( -1.071 1.034 -2.800) 3.171 8.828 ( 3.301 1.853 -1.745) 4.169 12.259 ( -10.400 -6.091 9.798) 15.533 14.781 ( 20.027 11.606 -23.256) 32.812 15.604 ( 0.736 -7.819 -7.854) 11.107 15.648 ( 0.737 -2.608 -3.375) 4.328 16.130 ( -10.552 -4.405 16.357) 19.957 16.533 ( -1.400 6.327 6.601) 9.250 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 1.843 -7.139 -0.418) 7.385 0.880 ( -7.694 -7.836 9.578) 14.573 1.187 ( 2.146 12.730 8.000) 15.188 2.135 ( 4.689 1.569 -2.891) 5.728 2.658 ( -0.722 -2.388 -7.155) 7.578 2.839 ( -4.281 4.111 -0.411) 5.949 2.983 ( 4.821 -0.463 4.493) 6.606 3.229 ( 0.317 -2.749 2.829) 3.958 4.352 ( 1.617 4.906 8.181) 9.675 4.429 ( -0.666 -1.075 -1.098) 1.675 4.888 ( -2.513 -0.249 -3.253) 4.118 5.939 ( -7.363 -3.590 -6.798) 10.645 6.327 ( 6.284 4.394 3.752) 8.537 7.187 ( 11.866 -0.464 -5.293) 13.002 7.242 ( -10.594 -3.351 1.982) 11.287 7.689 ( 0.235 0.029 2.491) 2.502 8.227 ( 0.685 -2.635 -2.457) 3.668 8.847 ( -1.100 1.186 -2.560) 3.029 12.161 ( -0.440 -6.378 9.589) 11.525 14.795 ( -3.160 -6.315 -28.611) 29.470 15.475 ( -5.571 -0.803 -11.851) 13.119 15.639 ( 5.244 1.308 -6.073) 8.130 16.174 ( 4.088 -1.579 23.378) 23.786 16.633 ( -0.748 7.944 9.208) 12.185 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -1.398 -10.015 4.809) 11.197 0.785 ( 6.973 -9.899 3.942) 12.734 1.398 ( 0.461 13.524 7.123) 15.292 2.247 ( 6.214 4.002 -2.056) 7.672 2.564 ( -0.556 -4.185 -9.147) 10.074 2.792 ( -4.016 5.358 -2.224) 7.056 3.005 ( -6.018 -3.152 6.098) 9.129 3.259 ( 4.183 -0.934 4.612) 6.296 4.397 ( 2.177 -5.074 -0.633) 5.558 4.557 ( 5.734 9.163 6.077) 12.400 4.801 ( -4.076 -0.461 -1.108) 4.250 5.777 ( -4.452 -0.526 -5.060) 6.760 6.465 ( 3.109 4.438 1.312) 5.575 6.974 ( -12.692 -3.177 -4.776) 13.928 7.405 ( 12.251 0.493 -1.120) 12.312 7.720 ( 1.072 0.800 2.806) 3.109 8.177 ( 0.105 -6.563 -2.238) 6.935 8.794 ( -4.355 0.573 -1.483) 4.637 12.237 ( 9.852 -6.267 8.998) 14.741 14.385 ( -11.093 -12.992 -24.368) 29.759 15.261 ( -8.590 -1.404 -13.225) 15.832 15.665 ( -1.923 -2.302 2.086) 3.654 16.444 ( 9.789 5.460 9.892) 14.950 16.786 ( 2.637 9.272 10.542) 14.285 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 4.870 -5.715 -2.540) 7.926 0.921 ( 13.549 -7.830 7.621) 17.406 1.522 ( -2.442 8.685 2.967) 9.498 2.317 ( -0.511 -0.853 -7.292) 7.359 2.497 ( 1.156 -0.776 -2.558) 2.912 2.779 ( -0.020 -0.983 -3.666) 3.796 2.888 ( -5.593 3.049 4.338) 7.707 3.350 ( 0.414 3.051 5.592) 6.383 4.378 ( 2.388 -6.119 -2.029) 6.875 4.599 ( -2.438 -3.460 -3.779) 5.675 4.922 ( 6.430 10.200 11.618) 16.743 5.719 ( -0.781 2.131 -2.977) 3.743 6.542 ( -0.139 5.187 -0.094) 5.190 6.698 ( -10.989 -3.158 -6.882) 13.345 7.584 ( 7.863 1.928 -2.152) 8.377 7.776 ( 2.333 0.770 3.162) 4.004 8.079 ( 0.143 -8.924 -3.877) 9.731 8.706 ( -5.912 -0.350 2.166) 6.306 12.471 ( 18.112 -5.905 7.969) 20.650 13.941 ( -9.007 -13.355 -19.392) 25.210 15.019 ( -8.386 -1.691 -11.987) 14.726 15.559 ( -9.127 -5.324 7.530) 12.976 16.646 ( 3.291 5.195 3.301) 6.980 17.041 ( 7.569 11.474 6.552) 15.227 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 12.014 1.181 -9.535) 15.383 1.154 ( 13.826 -3.879 9.011) 16.954 1.540 ( -2.776 3.758 -0.308) 4.682 2.181 ( -1.936 -7.124 -9.831) 12.294 2.395 ( -10.515 -4.156 0.290) 11.310 2.760 ( -1.412 0.317 5.626) 5.810 2.997 ( 8.350 9.414 -6.066) 13.970 3.397 ( -2.330 4.352 4.683) 6.804 4.312 ( -1.514 -5.986 -1.694) 6.402 4.536 ( 1.834 -4.797 -0.233) 5.141 5.182 ( 4.644 8.478 7.487) 12.227 5.732 ( 0.185 2.374 -0.745) 2.495 6.431 ( -9.433 -0.674 -5.432) 10.906 6.616 ( 0.709 4.220 -1.341) 4.484 7.667 ( 1.808 -0.158 -2.275) 2.910 7.834 ( 2.076 1.145 -0.389) 2.402 8.003 ( 3.894 -6.706 -3.797) 8.634 8.620 ( -6.376 -1.024 6.657) 9.275 12.810 ( 22.461 -5.357 5.420) 23.719 13.605 ( -3.287 -12.673 -14.283) 19.376 14.827 ( -6.510 1.612 -6.671) 9.459 15.353 ( -13.810 -6.468 9.842) 18.150 16.731 ( 0.354 3.801 1.512) 4.106 17.283 ( 5.131 9.827 0.139) 11.086 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 8.923 -0.953 -11.328) 14.452 1.137 ( 4.433 -8.153 -11.610) 14.863 1.551 ( -4.651 0.933 -1.229) 4.900 2.069 ( 1.592 4.187 7.068) 8.368 2.145 ( 6.836 1.602 9.570) 11.869 2.707 ( -5.449 -2.357 2.557) 6.465 3.161 ( -3.296 -5.685 -2.491) 7.028 3.475 ( -0.839 1.771 -5.170) 5.529 4.341 ( 3.791 3.435 2.720) 5.794 4.474 ( 1.988 -2.500 3.294) 4.588 5.172 ( -6.525 5.576 -13.195) 15.741 5.711 ( -1.118 -1.599 -0.928) 2.161 6.397 ( 2.664 1.981 5.051) 6.044 6.688 ( -4.287 -7.193 6.802) 10.788 7.515 ( 4.532 2.114 -4.699) 6.861 7.872 ( 2.473 1.294 -5.912) 6.537 8.046 ( 3.274 -4.190 4.326) 6.855 8.671 ( -5.477 3.450 5.737) 8.649 12.807 ( 14.845 -2.234 -19.760) 24.816 13.593 ( 9.124 -8.351 15.724) 20.006 14.830 ( -6.230 -4.274 7.506) 10.650 15.441 ( 0.143 14.305 12.843) 19.225 16.708 ( -3.694 -0.069 -3.730) 5.250 17.226 ( -3.999 -2.142 -10.489) 11.428 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 4.524 -12.675 -10.684) 17.183 1.197 ( 2.463 3.701 -4.023) 5.995 1.421 ( -8.139 2.277 -4.173) 9.425 2.194 ( 4.382 0.517 5.380) 6.958 2.373 ( 6.945 7.799 8.316) 13.350 2.608 ( -4.938 -1.537 1.014) 5.270 3.054 ( 1.043 -7.835 -2.262) 8.222 3.358 ( -9.181 -1.545 -3.312) 9.882 4.441 ( 3.480 -0.919 -0.159) 3.602 4.538 ( 3.171 4.285 4.398) 6.911 5.051 ( -5.427 4.617 -10.885) 13.010 5.681 ( -0.475 -0.110 -0.198) 0.527 6.484 ( 1.304 0.623 0.137) 1.452 6.589 ( -0.186 -9.243 8.477) 12.543 7.567 ( 1.060 2.320 -1.753) 3.095 7.868 ( -0.520 -0.265 -4.450) 4.488 8.141 ( 9.282 -2.046 3.699) 10.199 8.629 ( -6.270 2.932 2.936) 7.519 12.996 ( 17.591 5.418 -17.005) 25.059 13.598 ( -9.024 -7.439 14.090) 18.311 14.870 ( 10.066 -5.538 10.023) 15.247 15.627 ( 0.567 7.969 7.371) 10.870 16.620 ( -3.777 0.241 -2.974) 4.813 17.056 ( -6.948 -1.331 -9.059) 11.494 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 3.307 -7.130 -5.567) 9.631 1.176 ( -7.831 3.668 0.679) 8.674 1.337 ( -1.891 3.208 -2.786) 4.650 2.249 ( 0.515 -3.102 0.460) 3.177 2.514 ( -0.423 -1.265 -1.930) 2.346 2.637 ( 4.421 10.048 8.983) 14.185 3.018 ( 4.391 -7.460 -2.433) 8.992 3.138 ( -10.848 -1.695 -2.468) 11.254 4.464 ( 0.228 0.187 1.352) 1.384 4.665 ( 3.695 3.216 -0.919) 4.984 4.941 ( -5.719 1.956 -3.104) 6.795 5.707 ( 2.568 2.222 0.582) 3.445 6.413 ( -2.438 -6.597 0.133) 7.034 6.645 ( 5.392 -2.327 3.072) 6.627 7.585 ( -0.064 1.616 -0.491) 1.690 7.804 ( -2.830 -1.903 -2.142) 4.028 8.333 ( 10.288 0.138 2.780) 10.658 8.554 ( -5.396 1.424 0.021) 5.581 13.145 ( -8.369 2.552 -3.334) 9.363 13.530 ( 11.522 1.801 0.644) 11.680 15.116 ( 15.782 -6.172 11.775) 20.635 15.680 ( 0.706 -3.406 -2.059) 4.042 16.566 ( -3.137 2.838 0.220) 4.236 16.859 ( -10.985 1.945 -5.740) 12.545 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 1.091 2.616 1.528) 3.220 1.072 ( -7.676 4.237 -0.891) 8.813 1.326 ( -3.850 1.305 3.658) 5.469 2.155 ( -3.668 -5.724 -3.574) 7.681 2.525 ( 4.102 -0.885 -0.771) 4.266 2.851 ( 3.069 6.460 8.177) 10.863 2.904 ( -5.314 -3.814 -6.285) 9.071 3.076 ( 3.535 0.399 -0.203) 3.563 4.478 ( -1.658 3.293 1.823) 4.113 4.637 ( -4.803 -3.272 -3.952) 7.028 4.912 ( -0.619 2.528 3.157) 4.092 5.825 ( 6.823 3.844 1.757) 8.026 6.309 ( -2.708 -5.020 -1.491) 5.896 6.722 ( 5.876 -2.748 -1.021) 6.566 7.600 ( 0.060 1.280 0.628) 1.427 7.718 ( -3.609 -2.297 -0.784) 4.349 8.387 ( -4.982 -0.354 -1.553) 5.230 8.592 ( 8.884 0.461 0.927) 8.944 12.845 ( -20.958 -4.448 7.271) 22.624 13.931 ( 25.371 11.564 -11.615) 30.205 15.382 ( 13.552 -6.468 11.496) 18.911 15.565 ( 0.867 -13.437 -10.451) 17.045 16.541 ( -5.102 1.663 -0.973) 5.454 16.688 ( -11.683 9.103 3.689) 15.263 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -8.167 4.455 -3.564) 9.962 1.081 ( 2.267 8.461 5.676) 10.438 1.243 ( -9.307 -3.701 9.651) 13.909 2.040 ( -0.183 -2.981 -5.230) 6.023 2.616 ( 7.665 -2.367 1.430) 8.148 2.753 ( -2.440 -2.894 -7.462) 8.368 2.951 ( 0.288 0.407 2.857) 2.901 3.186 ( 3.190 6.261 3.070) 7.668 4.468 ( -7.149 -1.845 0.395) 7.393 4.499 ( -1.671 1.473 1.511) 2.692 4.943 ( -1.055 2.347 1.714) 3.092 6.006 ( 8.203 1.801 -1.274) 8.494 6.206 ( -4.048 -0.178 -0.029) 4.052 6.795 ( 8.576 -3.216 -3.763) 9.903 7.573 ( -6.682 -0.348 1.044) 6.772 7.663 ( 0.985 -1.484 0.992) 2.038 8.272 ( -4.006 -1.753 -4.126) 6.012 8.744 ( 6.974 0.172 0.493) 6.994 12.503 ( -17.858 -5.940 8.878) 20.809 14.377 ( 22.684 8.216 -18.545) 30.430 15.355 ( 3.257 -14.797 -14.290) 20.827 15.580 ( 7.463 -4.529 7.897) 11.772 16.398 ( -11.831 2.689 4.228) 12.848 16.704 ( -4.465 9.633 8.499) 13.600 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -7.634 -1.953 -7.056) 10.577 1.039 ( -12.311 -9.277 12.341) 19.746 1.312 ( 4.110 12.217 8.654) 15.525 2.043 ( 4.715 1.624 -5.528) 7.445 2.608 ( -2.172 -2.459 -8.741) 9.336 2.806 ( 12.807 -5.391 3.994) 14.458 2.940 ( -2.957 2.015 -0.577) 3.624 3.280 ( -2.346 4.047 5.075) 6.901 4.357 ( -1.497 -5.136 2.352) 5.844 4.518 ( -1.703 5.660 1.318) 6.056 4.940 ( -3.621 3.515 1.563) 5.283 5.967 ( -4.393 -3.481 -7.935) 9.715 6.300 ( 5.297 6.755 4.175) 9.546 6.922 ( 12.741 -2.310 -5.358) 14.013 7.408 ( -10.762 -2.385 0.445) 11.032 7.690 ( 1.229 -0.495 2.723) 3.028 8.181 ( -0.920 -3.351 -4.006) 5.303 8.828 ( 2.744 -0.033 -0.566) 2.802 12.251 ( -10.386 -6.484 9.404) 15.439 14.473 ( 5.967 -14.599 -25.596) 30.065 15.345 ( 12.657 3.878 -14.506) 19.639 15.625 ( -2.033 0.328 -1.955) 2.839 16.320 ( -5.988 1.577 17.607) 18.664 16.788 ( -2.066 7.641 8.985) 11.975 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 1.121 -8.832 -0.883) 8.947 0.798 ( -10.903 -12.994 11.966) 20.758 1.533 ( 2.668 10.038 5.069) 11.557 2.150 ( 7.612 4.826 -5.270) 10.441 2.481 ( -2.417 -3.077 -11.104) 11.773 2.884 ( -2.788 0.306 -0.892) 2.943 3.023 ( 9.771 -1.954 6.717) 12.017 3.248 ( -5.692 0.599 5.377) 7.853 4.320 ( 0.758 -5.382 1.139) 5.554 4.575 ( 2.419 2.947 -1.359) 4.047 4.930 ( -5.276 7.903 5.966) 11.220 5.815 ( -4.546 -0.730 -6.653) 8.091 6.459 ( 3.792 6.101 0.713) 7.218 7.061 ( 3.000 -1.050 -10.754) 11.214 7.230 ( -0.878 -3.003 4.476) 5.461 7.725 ( 1.079 0.240 3.072) 3.265 8.111 ( -0.529 -5.668 -2.364) 6.164 8.835 ( -1.117 -0.208 -0.687) 1.328 12.149 ( -0.466 -6.482 9.496) 11.507 14.126 ( -1.877 -24.856 -25.608) 35.737 15.418 ( -8.999 9.007 -13.912) 18.858 15.609 ( 5.776 2.151 -5.656) 8.365 16.448 ( 4.082 3.801 18.162) 18.999 16.895 ( 0.523 6.260 9.544) 11.426 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -2.155 -12.290 6.978) 14.296 0.658 ( 10.509 -10.613 9.698) 17.808 1.626 ( -0.637 2.477 -0.915) 2.716 2.271 ( -1.522 0.552 -8.129) 8.289 2.387 ( 7.273 3.471 -8.519) 11.727 2.812 ( -5.446 -0.702 -1.333) 5.650 3.070 ( -6.469 1.963 6.235) 9.196 3.317 ( 7.980 -0.667 6.814) 10.515 4.276 ( 0.956 -6.010 -0.476) 6.104 4.571 ( -0.896 -2.915 -5.338) 6.148 5.047 ( 0.636 11.881 12.409) 17.192 5.737 ( -1.379 2.439 -5.289) 5.985 6.561 ( 2.176 5.798 -2.342) 6.621 6.849 ( -12.544 -1.296 -6.855) 14.353 7.386 ( 12.501 -1.794 -0.479) 12.638 7.773 ( 1.673 1.098 2.876) 3.504 8.011 ( -2.251 -7.120 -1.718) 7.662 8.790 ( -3.396 -0.740 1.512) 3.790 12.222 ( 9.600 -6.111 8.916) 14.457 13.688 ( -1.816 -25.696 -22.876) 34.451 15.204 ( -14.359 8.422 -10.955) 19.928 15.645 ( -1.536 -1.936 1.507) 2.894 16.666 ( 4.217 6.282 6.902) 10.241 17.066 ( 5.493 7.406 8.347) 12.438 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 7.691 -4.376 -4.420) 9.891 0.904 ( 16.944 -7.052 13.562) 22.820 1.574 ( -1.129 -4.196 -5.415) 6.943 2.092 ( -5.262 -5.073 -10.607) 12.882 2.525 ( -4.067 2.447 -0.330) 4.758 2.729 ( 4.607 2.111 -3.473) 6.144 3.042 ( -4.293 6.617 1.822) 8.095 3.452 ( 2.758 -0.663 5.984) 6.622 4.252 ( 2.414 -4.561 0.695) 5.207 4.471 ( -1.896 -4.671 -3.528) 6.153 5.259 ( 2.546 8.230 10.291) 13.421 5.738 ( 0.771 3.580 -4.509) 5.809 6.571 ( -9.252 0.042 -6.410) 11.256 6.654 ( -1.716 6.822 -1.221) 7.140 7.528 ( 7.927 -4.744 -3.872) 10.017 7.820 ( 0.554 -0.847 2.380) 2.586 7.916 ( 0.546 -1.852 -2.074) 2.834 8.735 ( -4.164 -1.176 5.592) 7.071 12.446 ( 17.184 -5.401 6.010) 18.988 13.319 ( 2.132 -23.790 -17.069) 29.357 15.019 ( -11.068 9.942 -5.008) 15.698 15.544 ( -8.835 -5.003 6.972) 12.317 16.778 ( 0.240 4.536 1.983) 4.957 17.283 ( 5.636 8.149 1.080) 9.967 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 8.582 -12.679 -13.649) 20.511 0.897 ( 12.616 4.357 -15.231) 20.251 1.553 ( 6.367 -2.328 7.081) 9.803 2.104 ( -3.735 -6.387 9.139) 11.759 2.227 ( 0.852 14.322 8.523) 16.688 2.790 ( -5.403 -4.371 1.350) 7.079 3.157 ( -5.535 -5.906 -3.518) 8.826 3.444 ( 4.757 5.870 -6.526) 9.984 4.282 ( 4.370 -1.554 -1.243) 4.802 4.457 ( 1.895 -0.851 6.929) 7.234 5.277 ( -7.461 5.411 -11.512) 14.747 5.691 ( 0.466 -0.751 -0.810) 1.199 6.471 ( -3.362 3.593 7.141) 8.672 6.741 ( -6.255 -7.220 4.454) 10.540 7.418 ( 7.600 4.791 -3.491) 9.638 7.829 ( 1.057 1.745 -3.462) 4.018 7.968 ( 2.716 -5.733 2.882) 6.968 8.790 ( -3.121 0.853 1.918) 3.761 12.449 ( 13.014 0.492 -15.350) 20.130 13.317 ( 21.449 -10.486 16.984) 29.300 15.031 ( -14.876 -4.127 6.953) 16.931 15.599 ( 0.931 7.231 6.453) 9.736 16.762 ( -4.266 1.526 -3.512) 5.733 17.226 ( -3.206 1.500 -8.459) 9.170 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 7.656 -9.562 -7.420) 14.322 1.096 ( 9.946 7.905 -10.623) 16.561 1.547 ( -5.723 -0.404 0.012) 5.737 2.146 ( 4.980 -4.052 10.773) 12.541 2.424 ( 1.791 9.173 5.694) 10.944 2.696 ( -3.023 -0.611 4.201) 5.212 2.976 ( -4.352 -6.809 -4.551) 9.274 3.450 ( -4.246 0.955 -4.811) 6.487 4.353 ( 5.158 -1.376 0.073) 5.339 4.527 ( 3.588 -0.250 4.359) 5.651 5.146 ( -6.707 7.357 -11.932) 15.539 5.689 ( -0.361 0.887 -0.003) 0.957 6.514 ( -0.667 3.465 4.445) 5.675 6.574 ( -5.067 -10.728 4.909) 12.840 7.565 ( 3.501 5.222 -0.070) 6.287 7.843 ( 0.790 1.323 -4.019) 4.304 7.998 ( 6.035 -4.918 4.660) 9.073 8.735 ( -3.926 -0.778 -0.673) 4.058 12.665 ( 17.071 7.940 -12.480) 22.588 13.607 ( 9.944 -9.497 15.932) 21.045 14.833 ( -6.070 -4.679 7.642) 10.823 15.652 ( 0.851 -3.157 -1.740) 3.704 16.692 ( -4.146 2.800 -1.771) 5.307 17.142 ( -5.808 4.864 -4.578) 8.851 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 6.165 0.527 1.338) 6.331 1.248 ( 4.724 6.410 -4.282) 9.041 1.425 ( -7.592 2.211 -2.377) 8.257 2.224 ( 1.118 -3.424 5.290) 6.400 2.471 ( 0.762 -5.334 0.371) 5.401 2.782 ( -0.941 12.528 8.467) 15.151 2.855 ( 2.792 -6.755 -4.877) 8.787 3.292 ( -9.960 -0.734 -3.541) 10.596 4.418 ( 4.310 -3.151 2.450) 5.875 4.618 ( 4.193 1.106 -0.679) 4.389 5.052 ( -5.872 6.751 -6.468) 11.041 5.705 ( 0.690 2.330 -0.200) 2.438 6.414 ( -4.351 -6.999 2.134) 8.512 6.578 ( 2.224 -0.335 2.880) 3.654 7.622 ( -1.193 3.324 0.365) 3.551 7.818 ( -1.653 -0.878 -1.311) 2.285 8.157 ( 11.555 -1.003 4.539) 12.454 8.631 ( -4.823 -2.772 -3.070) 6.354 13.013 ( 18.214 13.276 -11.429) 25.271 13.607 ( -8.409 -8.001 12.819) 17.293 14.881 ( 10.682 -6.061 10.864) 16.397 15.548 ( 0.272 -12.515 -9.139) 15.499 16.655 ( -3.268 3.238 -0.317) 4.612 17.066 ( -8.777 8.613 -1.091) 12.345 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 4.515 7.719 6.630) 11.132 1.269 ( -8.948 4.505 0.262) 10.021 1.373 ( 1.121 4.117 -2.855) 5.134 2.162 ( -4.577 -5.425 -0.167) 7.100 2.427 ( 2.651 -7.144 -0.461) 7.634 2.805 ( 2.498 -5.677 -4.628) 7.738 2.968 ( -0.328 7.848 6.381) 10.120 3.133 ( -5.291 5.931 -1.300) 8.053 4.470 ( 3.570 -3.492 2.881) 5.765 4.640 ( -0.506 -0.548 -5.422) 5.473 5.015 ( -4.128 6.155 2.682) 7.881 5.765 ( 4.208 2.419 -1.240) 5.010 6.316 ( -2.680 -2.795 1.614) 4.195 6.612 ( 2.686 -2.319 -1.469) 3.840 7.624 ( -0.985 1.886 -0.080) 2.129 7.766 ( -3.525 -0.355 0.919) 3.660 8.371 ( 8.475 -0.687 3.688) 9.268 8.494 ( -2.167 -4.012 -4.269) 6.246 13.169 ( -13.470 0.472 1.251) 13.536 13.605 ( 15.725 7.024 -3.504) 17.575 15.129 ( 15.506 -7.363 12.083) 20.992 15.329 ( 0.160 -17.241 -12.309) 21.185 16.629 ( -3.237 2.779 -0.535) 4.300 17.003 ( -10.289 11.220 2.332) 15.401 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -6.358 7.364 -0.388) 9.737 1.167 ( -0.907 7.602 3.139) 8.275 1.386 ( -4.192 -0.209 4.704) 6.304 2.011 ( -4.081 -4.398 -3.356) 6.874 2.436 ( 7.557 -9.057 1.408) 11.879 2.709 ( -2.405 -4.465 -7.684) 9.207 2.997 ( -1.911 3.668 1.560) 4.421 3.252 ( 2.381 11.339 4.283) 12.353 4.475 ( -0.736 -6.491 1.306) 6.662 4.562 ( -2.122 0.224 -4.040) 4.569 5.052 ( -3.183 6.915 6.720) 10.154 5.869 ( 7.162 0.343 -3.812) 8.120 6.285 ( -2.533 3.325 2.370) 4.805 6.617 ( 4.635 -4.136 -4.985) 7.964 7.636 ( 0.957 0.132 0.109) 0.972 7.697 ( -6.061 0.836 2.345) 6.553 8.288 ( -4.862 -4.970 -5.795) 9.051 8.609 ( 9.535 -0.735 3.239) 10.097 12.834 ( -21.172 -5.270 6.836) 22.864 13.975 ( 20.074 5.926 -14.910) 25.698 15.072 ( 2.278 -14.461 -13.827) 20.137 15.405 ( 13.102 -7.014 12.411) 19.362 16.589 ( -5.249 4.061 0.592) 6.663 16.971 ( -8.837 10.766 5.213) 14.872 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -14.114 2.712 -9.963) 17.488 1.235 ( -11.224 -7.437 10.465) 17.053 1.382 ( 4.411 7.960 6.150) 10.983 1.951 ( 2.748 0.717 -6.023) 6.659 2.509 ( 9.833 -11.988 0.361) 15.509 2.604 ( -0.573 0.545 -3.220) 3.316 3.007 ( -1.947 4.457 -1.183) 5.006 3.401 ( -0.512 7.900 4.839) 9.279 4.360 ( -3.676 -6.024 1.580) 7.232 4.536 ( 0.783 -1.514 -3.126) 3.560 5.108 ( -4.471 8.715 7.558) 12.372 5.911 ( 1.832 -2.278 -7.657) 8.196 6.346 ( 0.943 8.138 3.917) 9.080 6.661 ( 9.785 -3.575 -6.503) 12.281 7.560 ( -8.396 -2.442 0.601) 8.765 7.685 ( 0.520 1.520 2.760) 3.193 8.140 ( -2.219 -4.927 -5.665) 7.829 8.753 ( 5.970 -0.785 2.342) 6.460 12.484 ( -17.566 -6.227 7.999) 20.282 14.059 ( 6.976 -15.858 -22.795) 28.631 15.063 ( 13.606 3.624 -12.537) 18.853 15.582 ( 6.543 -4.469 7.280) 10.760 16.554 ( -6.382 5.915 6.380) 10.790 16.976 ( -5.689 7.961 7.052) 12.061 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -11.999 -1.986 -9.791) 15.614 0.974 ( -14.639 -13.369 14.690) 24.674 1.538 ( 4.861 1.604 -1.500) 5.334 2.025 ( 7.248 4.557 -7.573) 11.431 2.473 ( -2.209 0.959 -5.640) 6.132 2.720 ( 12.608 -7.748 6.414) 16.129 3.010 ( -1.943 4.756 -0.335) 5.149 3.421 ( -6.514 2.987 4.213) 8.313 4.286 ( -1.076 -4.687 3.236) 5.796 4.512 ( 2.188 -2.569 -5.456) 6.416 5.165 ( -5.121 10.228 8.557) 14.285 5.826 ( -2.677 -1.008 -7.961) 8.459 6.480 ( 2.263 8.254 0.811) 8.597 6.807 ( 13.774 -1.125 -6.350) 15.209 7.362 ( -11.016 -3.156 0.810) 11.487 7.727 ( 0.997 0.484 3.303) 3.484 8.046 ( -0.198 -5.284 -3.347) 6.258 8.823 ( 1.971 -0.736 1.310) 2.478 12.233 ( -9.962 -6.451 8.955) 14.868 13.733 ( -0.561 -26.517 -24.033) 35.792 15.334 ( 15.399 9.927 -13.940) 23.021 15.611 ( -2.768 0.697 -1.918) 3.439 16.591 ( -2.559 5.795 13.530) 14.940 17.018 ( -2.452 5.156 8.628) 10.346 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 3.914 -9.762 3.786) 11.178 0.677 ( -13.198 -15.481 15.260) 25.431 1.534 ( 3.334 -9.255 -9.628) 13.765 2.199 ( 10.822 8.747 -8.244) 16.174 2.387 ( -8.530 5.980 -6.722) 12.398 2.865 ( 3.219 -2.757 3.763) 5.668 3.063 ( 6.177 -2.875 7.236) 9.938 3.339 ( -6.138 2.002 3.151) 7.184 4.231 ( -1.728 -5.304 1.861) 5.881 4.500 ( 2.424 -2.242 -5.885) 6.748 5.250 ( -2.795 9.681 9.904) 14.129 5.745 ( -1.396 1.799 -7.319) 7.665 6.580 ( 1.114 7.894 -3.050) 8.536 6.936 ( 1.114 1.185 -8.193) 8.353 7.217 ( 0.961 -3.566 4.110) 5.525 7.770 ( 1.465 0.394 2.732) 3.125 7.968 ( -1.146 -6.345 -0.846) 6.503 8.830 ( -1.056 -0.757 1.716) 2.153 12.137 ( -0.276 -6.294 9.607) 11.488 13.301 ( -1.086 -27.668 -22.300) 35.552 15.450 ( -9.292 9.092 -11.072) 17.076 15.585 ( 6.148 2.370 -5.562) 8.623 16.725 ( 1.679 5.805 10.114) 11.781 17.110 ( 1.916 4.113 9.916) 10.905 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -4.848 -13.225 9.385) 16.925 0.613 ( 16.860 -10.061 16.401) 25.582 1.388 ( 3.276 -15.625 -14.008) 21.239 2.195 ( -12.412 3.703 -6.317) 14.410 2.471 ( 13.155 12.416 -9.931) 20.636 2.780 ( -9.832 -3.091 3.159) 10.780 3.181 ( -0.613 1.619 5.274) 5.551 3.361 ( 6.725 -3.050 4.529) 8.662 4.177 ( 1.053 -4.234 1.892) 4.755 4.452 ( -1.852 -2.500 -4.261) 5.276 5.368 ( 0.149 5.866 8.850) 10.619 5.722 ( 0.601 2.966 -7.678) 8.253 6.642 ( -0.733 8.245 -4.911) 9.624 6.811 ( -9.122 3.218 -2.192) 9.918 7.320 ( 8.627 -4.489 -0.049) 9.725 7.805 ( 0.931 -2.384 1.080) 2.778 7.891 ( -0.354 -2.264 -0.022) 2.291 8.809 ( -2.194 -0.827 4.480) 5.057 12.209 ( 8.777 -5.766 8.115) 13.272 12.924 ( 2.475 -25.283 -16.968) 30.549 15.284 ( -11.579 9.840 -6.271) 16.439 15.627 ( -1.386 -1.428 1.069) 2.259 16.835 ( 0.143 4.647 2.837) 5.446 17.273 ( 4.887 5.462 4.219) 8.457 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -0.000 0.000 17.496) 17.496 0.660 ( -0.000 0.000 17.496) 17.496 0.926 ( -0.000 0.000 24.168) 24.168 2.361 ( 0.000 -0.000 -10.342) 10.342 2.361 ( 0.000 -0.000 -10.342) 10.342 3.003 ( -0.000 0.000 6.283) 6.283 3.003 ( -0.000 0.000 6.283) 6.283 3.267 ( 0.000 -0.000 -8.065) 8.065 4.196 ( -0.000 0.000 1.705) 1.705 4.196 ( -0.000 0.000 1.705) 1.705 5.469 ( 0.000 -0.000 -0.835) 0.835 6.777 ( 0.000 -0.000 -1.006) 1.006 7.092 ( -0.000 0.000 5.001) 5.001 7.138 ( -0.000 0.000 1.188) 1.188 7.138 ( -0.000 0.000 1.188) 1.188 7.649 ( 0.000 -0.000 -0.539) 0.539 7.803 ( 0.000 -0.000 -3.004) 3.004 7.803 ( 0.000 -0.000 -3.004) 3.004 12.374 ( -0.000 0.000 17.072) 17.072 12.374 ( -0.000 0.000 17.072) 17.072 15.411 ( 0.000 -0.000 -9.776) 9.776 15.411 ( 0.000 -0.000 -9.776) 9.776 16.915 ( 0.000 -0.000 -2.672) 2.672 17.810 ( -0.000 0.000 2.063) 2.063 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -12.628 -11.896 19.383) 26.013 0.942 ( 1.604 13.757 16.557) 21.586 1.228 ( 12.756 0.046 19.318) 23.150 2.121 ( -5.660 -6.077 -8.561) 11.927 2.582 ( 12.961 8.476 -14.071) 20.924 2.811 ( -8.406 -7.653 8.794) 14.372 3.145 ( -6.786 -0.460 -6.698) 9.546 3.220 ( 6.971 2.491 4.982) 8.923 4.162 ( -0.682 -0.439 -0.841) 1.168 4.289 ( 3.569 2.299 2.424) 4.889 5.420 ( -3.835 -1.233 -2.038) 4.515 6.551 ( -15.048 -9.104 8.133) 19.377 6.965 ( -5.450 -4.328 0.053) 6.960 7.017 ( -7.520 -4.478 3.758) 9.525 7.298 ( 6.251 2.565 4.127) 7.917 7.653 ( 2.194 4.357 0.956) 4.971 7.861 ( 6.138 -1.421 -1.813) 6.556 8.031 ( 11.830 10.691 -12.968) 20.553 12.367 ( 0.065 -0.555 15.037) 15.047 12.730 ( 11.230 7.714 21.288) 25.274 15.213 ( -7.201 -2.438 -13.392) 15.400 15.518 ( 7.354 3.803 -7.387) 11.095 16.873 ( -1.989 -1.248 -3.106) 3.894 17.678 ( -9.376 -6.767 3.860) 12.190 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 3.828 1.567 8.216) 9.199 1.185 ( -0.233 14.062 13.782) 19.691 1.508 ( 8.778 -2.386 11.984) 15.045 1.965 ( -0.841 -5.237 -4.575) 7.004 2.554 ( -4.989 -9.231 1.705) 10.631 2.848 ( 4.095 0.284 -3.756) 5.564 3.015 ( -0.721 5.680 -7.447) 9.394 3.344 ( 1.670 2.120 2.462) 3.653 4.146 ( 1.622 -2.739 -0.758) 3.272 4.391 ( 2.721 4.340 2.825) 5.850 5.305 ( -5.610 -0.908 -4.673) 7.357 6.288 ( -13.375 -6.074 8.329) 16.886 6.825 ( -5.384 -3.992 -1.154) 6.801 6.886 ( -4.974 -6.905 7.664) 11.452 7.457 ( 7.155 1.014 4.038) 8.278 7.759 ( 3.431 4.877 1.072) 6.059 7.957 ( 4.787 2.428 0.371) 5.380 8.165 ( 5.080 4.970 -14.375) 16.035 12.537 ( 7.739 3.692 13.420) 15.925 13.136 ( 10.837 8.802 20.637) 24.916 14.968 ( -8.163 -2.499 -14.548) 16.868 15.590 ( 0.442 0.560 -0.234) 0.750 16.796 ( -2.331 -1.768 -4.069) 5.012 17.487 ( -6.137 -6.382 0.407) 8.864 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 13.982 9.974 -4.393) 17.728 1.349 ( -2.012 8.183 7.581) 11.335 1.590 ( -0.523 -1.834 1.479) 2.413 1.941 ( 4.214 -5.389 0.890) 6.899 2.423 ( -2.440 -8.199 7.154) 11.152 2.771 ( -4.594 -2.024 -0.388) 5.035 3.145 ( 7.791 7.066 -8.958) 13.816 3.349 ( -2.496 1.831 -1.900) 3.632 4.168 ( 3.954 -3.452 2.387) 5.766 4.495 ( 1.857 5.252 2.415) 6.071 5.165 ( -4.968 -1.181 -8.074) 9.553 6.063 ( -12.521 -3.093 6.118) 14.275 6.688 ( -3.691 -6.199 -2.719) 7.710 6.814 ( -3.646 -4.522 11.420) 12.812 7.586 ( 5.042 -0.691 1.571) 5.326 7.881 ( 6.218 1.240 2.210) 6.714 8.065 ( -0.160 9.151 -0.291) 9.157 8.166 ( 2.976 -0.782 -8.740) 9.265 12.851 ( 13.118 6.860 12.724) 19.521 13.464 ( 5.091 6.973 10.556) 13.637 14.752 ( -4.606 -1.857 -8.119) 9.517 15.532 ( -7.843 -4.132 7.947) 11.906 16.724 ( -1.074 -1.083 -4.916) 5.147 17.351 ( -2.020 -3.998 -5.845) 7.364 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 14.574 10.452 -7.790) 19.554 1.346 ( -3.408 -2.431 -1.765) 4.543 1.532 ( -3.241 -0.299 -3.146) 4.527 1.966 ( 1.797 -3.096 3.153) 4.770 2.382 ( -1.802 -5.259 9.308) 10.842 2.708 ( -2.945 1.746 1.963) 3.946 3.199 ( 0.866 -3.274 -4.461) 5.601 3.363 ( 3.294 6.951 -7.159) 10.508 4.229 ( 3.180 -2.247 5.340) 6.609 4.572 ( -0.350 4.765 0.810) 4.846 5.029 ( -1.538 -2.350 -10.666) 11.030 5.891 ( -9.571 0.159 5.597) 11.089 6.548 ( -2.599 -7.209 -3.307) 8.346 6.798 ( -3.069 -2.008 12.103) 12.646 7.626 ( 0.689 -0.582 -1.773) 1.989 7.987 ( 6.308 -7.706 -2.209) 10.201 8.052 ( -3.366 7.383 -6.173) 10.195 8.268 ( 4.642 5.672 8.024) 10.868 13.250 ( 15.188 7.715 13.329) 21.630 13.491 ( -7.284 1.619 -10.443) 12.835 14.751 ( 4.975 1.333 8.471) 9.914 15.351 ( -13.111 -7.969 13.055) 20.146 16.681 ( 0.038 0.057 -4.782) 4.782 17.262 ( 0.556 -1.443 -11.099) 11.206 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.915 -3.932 -5.480) 6.807 1.266 ( 10.105 1.976 -10.374) 14.616 1.450 ( -4.890 2.547 -5.867) 8.051 1.973 ( -0.317 -2.295 3.961) 4.589 2.336 ( -4.783 -3.987 9.246) 11.148 2.721 ( -1.406 4.547 2.941) 5.595 3.160 ( 1.896 -2.637 -2.982) 4.410 3.429 ( 3.040 1.911 -7.108) 7.963 4.285 ( 0.955 -1.303 6.996) 7.180 4.577 ( -2.647 2.971 -2.102) 4.500 4.965 ( 3.511 -0.576 -10.691) 11.268 5.807 ( -5.779 2.445 4.480) 7.711 6.428 ( -1.313 -6.371 -1.924) 6.784 6.808 ( -2.557 -0.718 11.257) 11.566 7.584 ( -2.509 -0.630 -5.020) 5.647 7.904 ( -1.337 -3.053 -8.381) 9.020 8.091 ( 1.818 -1.481 3.463) 4.182 8.472 ( 5.211 6.549 9.219) 12.451 13.186 ( -12.497 -4.679 -21.481) 25.289 13.648 ( 9.993 7.894 16.175) 20.587 14.975 ( 6.344 3.739 14.856) 16.581 15.125 ( -10.091 -9.749 14.840) 20.423 16.666 ( 0.832 1.031 -4.621) 4.807 17.202 ( 1.749 0.497 -14.249) 14.365 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -3.989 -12.921 -9.653) 16.615 1.307 ( -9.803 4.182 -10.355) 14.860 1.459 ( 8.993 4.283 -5.876) 11.565 1.978 ( 2.359 -3.702 3.896) 5.869 2.274 ( -5.566 -1.898 11.554) 12.964 2.776 ( -0.153 5.529 3.160) 6.370 3.172 ( 3.298 -1.475 -3.609) 5.107 3.407 ( -0.074 -2.345 -6.817) 7.210 4.320 ( 0.174 -1.522 6.098) 6.288 4.541 ( -2.653 1.020 -0.452) 2.878 4.999 ( 6.185 4.008 -11.716) 13.841 5.773 ( -3.923 2.172 2.019) 4.917 6.374 ( 1.349 -3.367 1.527) 3.936 6.832 ( -1.407 -0.519 10.126) 10.236 7.473 ( -4.208 -1.788 -7.404) 8.702 7.822 ( -0.542 -1.731 -5.195) 5.503 8.104 ( -0.844 -2.269 3.849) 4.547 8.664 ( 4.466 4.618 7.495) 9.872 12.775 ( -12.906 -5.872 -22.205) 26.346 13.855 ( -5.555 -1.121 20.893) 21.648 14.985 ( -3.452 1.774 12.301) 12.899 15.260 ( 9.907 -1.758 14.371) 17.544 16.672 ( 1.805 1.684 -5.643) 6.160 17.157 ( 2.208 1.353 -15.431) 15.647 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -4.731 -13.830 -9.824) 17.611 1.046 ( -16.824 4.762 -14.399) 22.651 1.572 ( 3.291 -1.216 1.008) 3.650 2.039 ( 6.926 -5.799 6.409) 11.076 2.275 ( -2.849 4.225 10.686) 11.839 2.854 ( 0.627 4.798 2.255) 5.339 3.158 ( 3.324 -8.113 -7.123) 11.296 3.342 ( -1.984 2.747 -5.191) 6.199 4.320 ( -2.301 -0.977 1.236) 2.788 4.506 ( -1.862 -2.154 5.167) 5.900 5.109 ( 8.037 7.539 -12.261) 16.485 5.734 ( -3.308 1.177 1.854) 3.971 6.433 ( 4.953 0.375 3.987) 6.370 6.873 ( 0.220 -0.699 9.085) 9.115 7.335 ( -3.993 -2.588 -6.862) 8.350 7.784 ( 0.414 -0.909 -3.525) 3.664 8.063 ( -3.677 -2.243 2.819) 5.148 8.794 ( 2.328 2.537 3.983) 5.265 12.397 ( -10.153 -5.150 -17.629) 20.985 13.682 ( -20.732 -10.548 22.800) 32.571 15.165 ( 5.991 10.389 12.755) 17.508 15.464 ( 7.844 -3.171 10.245) 13.287 16.691 ( 3.258 1.794 -8.249) 9.049 17.120 ( 2.761 1.060 -14.432) 14.732 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -9.731 -10.925 17.764) 23.013 0.861 ( 13.442 -5.429 19.540) 24.331 1.407 ( -2.941 14.447 16.192) 21.899 2.178 ( -3.717 3.158 -10.422) 11.506 2.414 ( 2.119 8.004 -12.192) 14.738 2.885 ( -3.017 -10.059 7.661) 12.999 3.053 ( 2.801 -7.079 -3.026) 8.193 3.268 ( -0.145 5.993 1.741) 6.243 4.133 ( -0.684 -2.849 -0.182) 2.935 4.336 ( 0.643 7.886 0.720) 7.944 5.402 ( 0.823 -5.498 -2.013) 5.912 6.587 ( 0.144 -15.926 5.835) 16.962 6.916 ( -0.982 -10.668 -0.570) 10.729 7.203 ( -1.192 -0.299 4.079) 4.260 7.207 ( -0.520 1.672 5.819) 6.077 7.667 ( 4.656 4.365 -0.962) 6.454 7.715 ( -3.438 -1.134 -2.826) 4.592 8.096 ( 0.696 21.291 -9.176) 23.195 12.378 ( -0.317 -10.157 17.211) 19.987 12.941 ( 0.837 21.819 21.827) 30.874 15.237 ( 2.268 2.842 -15.261) 15.689 15.407 ( -1.414 6.021 -9.769) 11.562 16.848 ( -0.084 -3.585 -2.971) 4.657 17.670 ( -0.951 -15.607 4.733) 16.337 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -8.012 -5.915 17.740) 20.344 1.189 ( 14.212 -3.519 15.030) 20.983 1.560 ( -1.926 7.148 10.005) 12.445 2.018 ( -9.057 5.491 -6.938) 12.661 2.484 ( 2.939 -2.399 -8.891) 9.667 2.805 ( 0.432 -2.696 7.062) 7.571 2.999 ( 0.283 -3.054 -5.092) 5.945 3.345 ( 2.070 1.836 1.563) 3.177 4.094 ( -0.066 -1.959 -1.465) 2.447 4.441 ( 1.216 8.017 1.657) 8.277 5.314 ( -2.158 -6.409 -3.677) 7.698 6.427 ( -6.069 -11.889 9.106) 16.159 6.774 ( -1.779 -10.817 -2.824) 11.320 7.042 ( -11.064 -0.149 6.314) 12.740 7.377 ( 6.948 0.461 4.197) 8.130 7.699 ( 4.408 -3.034 -2.150) 5.767 7.845 ( 7.661 6.979 1.400) 10.458 8.221 ( -1.909 17.425 -11.124) 20.760 12.445 ( 7.489 -8.362 16.520) 19.973 13.339 ( 2.546 23.987 20.587) 31.713 15.066 ( -11.393 5.151 -16.177) 20.446 15.513 ( 8.269 4.971 -7.771) 12.388 16.770 ( -1.357 -5.570 -2.966) 6.454 17.476 ( -4.461 -16.919 4.533) 18.075 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 4.785 4.793 6.172) 9.163 1.402 ( 4.878 -2.223 5.914) 7.982 1.574 ( -0.749 -5.836 1.625) 6.104 1.947 ( -3.671 7.935 -1.155) 8.818 2.422 ( -1.312 -4.539 4.778) 6.719 2.810 ( -2.050 -3.784 4.346) 6.116 3.031 ( 6.242 4.739 -7.728) 11.006 3.355 ( -0.128 -1.902 -4.045) 4.472 4.103 ( 2.689 0.350 1.409) 3.056 4.547 ( 1.125 6.994 1.907) 7.336 5.164 ( -4.192 -6.720 -6.156) 10.031 6.265 ( -9.421 -5.278 8.460) 13.718 6.614 ( -1.375 -11.365 -4.449) 12.282 6.928 ( -6.711 -1.738 9.943) 12.121 7.506 ( 5.589 0.509 1.328) 5.767 7.745 ( 6.253 -4.666 -1.387) 7.925 8.061 ( 7.332 6.870 4.801) 11.136 8.243 ( -5.526 13.843 -10.653) 18.321 12.666 ( 15.221 -6.291 15.443) 22.578 13.682 ( -2.626 22.000 10.918) 24.700 14.841 ( -9.591 5.635 -9.720) 14.773 15.607 ( 0.846 1.266 0.024) 1.523 16.676 ( -0.270 -5.258 -3.789) 6.487 17.276 ( -2.203 -13.499 -0.899) 13.707 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 11.811 8.448 -3.969) 15.054 1.332 ( -4.387 -9.106 -6.303) 11.912 1.520 ( 0.779 -4.860 -0.424) 4.940 2.007 ( -0.813 7.344 3.155) 8.034 2.420 ( -1.094 -2.822 10.754) 11.172 2.774 ( -1.669 -0.233 3.727) 4.091 3.099 ( 2.993 -2.490 -5.983) 7.138 3.301 ( 2.048 -0.347 -8.870) 9.110 4.203 ( 4.043 3.487 3.927) 6.627 4.635 ( 0.238 5.838 1.255) 5.977 4.977 ( -4.113 -6.913 -7.875) 11.257 6.109 ( -10.628 -0.840 7.657) 13.126 6.459 ( -0.486 -10.363 -5.367) 11.681 6.887 ( -3.195 -3.006 10.750) 11.610 7.584 ( 2.909 0.062 -1.097) 3.110 7.793 ( 6.272 -6.285 -1.291) 8.972 8.196 ( -7.139 10.951 -7.644) 15.144 8.284 ( 6.525 6.595 7.381) 11.855 13.004 ( 19.716 -5.326 13.487) 24.474 13.721 ( -13.694 13.362 -9.382) 21.309 14.828 ( -0.472 10.748 8.692) 13.831 15.551 ( -8.694 -4.443 9.049) 13.311 16.626 ( 1.788 -2.327 -4.865) 5.681 17.129 ( 1.351 -9.174 -8.507) 12.584 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 13.473 7.139 -8.071) 17.252 1.094 ( -4.701 -12.396 -8.209) 15.593 1.481 ( -0.939 -0.709 -3.156) 3.368 2.047 ( -3.967 4.767 1.828) 6.466 2.430 ( -2.963 -2.435 11.417) 12.044 2.795 ( -0.349 2.792 2.837) 3.996 3.046 ( 2.701 -5.944 -5.515) 8.547 3.312 ( 4.482 -1.877 -7.221) 8.703 4.328 ( 1.648 5.043 5.011) 7.298 4.639 ( -4.219 2.342 -4.926) 6.895 4.861 ( 2.076 -2.197 -4.014) 5.025 5.988 ( -8.709 0.837 6.839) 11.105 6.339 ( 0.897 -7.702 -4.835) 9.138 6.871 ( -1.656 -4.725 9.321) 10.581 7.592 ( -0.866 0.923 -3.402) 3.630 7.806 ( 3.345 -5.691 -2.692) 7.129 8.146 ( -4.930 6.390 -1.807) 8.271 8.496 ( 5.742 5.520 7.970) 11.268 13.219 ( -3.079 -2.383 -12.072) 12.684 13.602 ( 5.290 3.441 7.488) 9.793 15.060 ( 2.595 12.839 15.770) 20.500 15.355 ( -13.999 -7.901 13.719) 21.133 16.620 ( 1.822 -0.213 -4.683) 5.029 17.038 ( 4.305 -4.993 -14.645) 16.061 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -5.425 -10.240 -6.047) 13.071 1.244 ( 12.015 3.994 -8.381) 15.184 1.430 ( -3.171 2.668 -6.308) 7.547 1.995 ( -4.821 0.657 0.038) 4.866 2.416 ( -4.475 -0.762 11.817) 12.659 2.837 ( 0.994 2.588 1.459) 3.132 3.027 ( 3.480 -6.122 -4.786) 8.514 3.316 ( 4.066 -2.816 -5.067) 7.080 4.384 ( -3.106 1.273 6.073) 6.939 4.566 ( -0.922 2.994 -7.442) 8.075 4.910 ( 3.928 3.800 -3.623) 6.557 5.905 ( -6.506 0.659 5.519) 8.557 6.294 ( 3.338 -3.767 -2.706) 5.714 6.845 ( -0.135 -7.658 7.518) 10.733 7.536 ( -5.033 3.387 -4.827) 7.753 7.775 ( 0.846 -3.146 -3.356) 4.677 8.129 ( -2.231 0.959 2.869) 3.759 8.675 ( 4.635 3.421 6.571) 8.738 12.873 ( -16.631 0.706 -21.772) 27.406 13.910 ( 11.995 -4.024 20.837) 24.377 15.109 ( -9.829 -10.028 14.955) 20.514 15.330 ( 0.955 12.962 13.139) 18.481 16.616 ( 1.470 0.059 -6.331) 6.499 16.997 ( 5.160 -1.098 -16.450) 17.275 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -7.085 -3.012 -0.064) 7.699 1.265 ( -10.840 5.001 -11.529) 16.596 1.443 ( 8.706 1.063 -5.388) 10.293 1.952 ( 1.303 -3.347 3.604) 5.088 2.422 ( -3.349 2.093 10.966) 11.656 2.908 ( 0.937 4.123 2.605) 4.966 2.924 ( 2.131 -14.527 -7.910) 16.678 3.362 ( 3.133 4.044 -3.897) 6.431 4.358 ( -2.682 -0.539 2.291) 3.568 4.543 ( -1.861 0.190 -0.817) 2.041 5.018 ( 5.457 8.596 -7.285) 12.520 5.843 ( -5.119 0.665 5.403) 7.473 6.348 ( 6.242 -0.165 -0.824) 6.299 6.814 ( 2.571 -10.854 6.385) 12.852 7.444 ( -7.750 6.222 -3.703) 10.606 7.744 ( 0.708 -1.686 -3.231) 3.712 8.107 ( -2.582 -1.872 4.071) 5.171 8.792 ( 2.962 0.753 3.477) 4.629 12.493 ( -14.825 2.340 -17.022) 22.694 14.012 ( -10.020 -10.142 24.492) 28.339 15.082 ( 8.648 -7.714 13.943) 18.130 15.521 ( -0.095 9.728 8.799) 13.117 16.596 ( 2.141 0.726 -11.091) 11.319 16.991 ( 4.078 2.153 -13.631) 14.390 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 13.336 -3.550 17.806) 22.528 0.955 ( -13.162 -10.213 17.332) 24.040 1.631 ( -0.545 6.554 7.299) 9.825 2.120 ( 7.461 10.515 -4.438) 13.635 2.535 ( -10.610 4.058 -12.037) 16.551 2.839 ( 2.432 -3.307 6.836) 7.974 2.913 ( 2.149 -8.071 -5.452) 9.974 3.329 ( -1.354 0.258 1.956) 2.393 4.159 ( -2.921 0.766 1.732) 3.481 4.396 ( 0.928 6.947 -0.603) 7.035 5.276 ( 3.208 -8.656 -2.813) 9.650 6.389 ( 7.801 -14.406 6.308) 17.555 6.826 ( 0.269 -7.091 -1.527) 7.259 7.078 ( 9.120 -1.658 8.448) 12.542 7.449 ( -9.114 6.672 5.355) 12.500 7.684 ( -1.917 3.110 -1.268) 3.867 7.764 ( -6.914 -3.578 -5.118) 9.317 8.221 ( 1.768 17.372 -7.911) 19.170 12.454 ( -7.850 -8.558 16.842) 20.457 13.301 ( -1.074 22.394 20.109) 30.117 15.022 ( 11.135 2.917 -14.568) 18.566 15.523 ( -7.010 4.833 -7.077) 11.072 16.777 ( 1.071 -4.697 -3.333) 5.858 17.516 ( 3.142 -14.514 3.112) 15.173 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -9.191 -6.589 17.600) 20.920 0.976 ( 14.176 -6.035 17.954) 23.659 1.663 ( -1.916 -1.600 -0.659) 2.582 2.248 ( -10.248 11.457 -4.808) 16.105 2.377 ( 3.226 4.438 -7.855) 9.581 2.820 ( -0.632 -4.251 6.062) 7.431 2.900 ( 3.445 -4.415 -2.466) 6.118 3.319 ( 0.774 -3.051 -0.097) 3.149 4.116 ( -3.222 1.339 0.558) 3.533 4.504 ( 1.818 8.716 -0.316) 8.909 5.208 ( 1.848 -10.807 -2.657) 11.281 6.373 ( 2.697 -13.716 8.173) 16.193 6.698 ( -3.317 -9.281 -2.978) 10.296 7.238 ( 4.031 -1.416 4.625) 6.296 7.338 ( -9.375 1.846 8.133) 12.548 7.628 ( -1.096 -0.251 -4.581) 4.717 7.815 ( 6.351 8.189 0.157) 10.365 8.356 ( -0.508 16.304 -8.585) 18.433 12.388 ( -0.267 -10.015 17.491) 20.157 13.682 ( 1.846 26.742 18.044) 32.313 15.149 ( 3.270 8.034 -16.452) 18.599 15.416 ( -1.924 6.723 -9.526) 11.817 16.703 ( -0.499 -7.831 -1.808) 8.053 17.372 ( -1.737 -20.184 5.379) 20.961 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -4.508 -0.620 15.061) 15.733 1.251 ( 12.372 -6.185 11.651) 18.085 1.520 ( -3.929 -10.542 -7.608) 13.582 2.121 ( -7.347 6.831 -4.017) 10.807 2.472 ( -0.860 7.397 3.502) 8.229 2.824 ( -0.888 -5.146 7.014) 8.745 2.930 ( 5.594 3.123 -5.912) 8.717 3.275 ( 0.912 -6.518 -4.638) 8.052 4.109 ( -0.143 2.996 1.744) 3.469 4.608 ( 0.937 7.427 0.310) 7.492 5.091 ( -0.807 -10.819 -3.812) 11.500 6.338 ( -0.241 -8.180 9.201) 12.313 6.512 ( -3.904 -10.702 -4.722) 12.332 7.137 ( -11.748 -0.010 8.315) 14.393 7.410 ( 6.673 -0.518 1.443) 6.847 7.620 ( 2.779 -1.490 -2.023) 3.747 8.032 ( 7.754 8.310 2.552) 11.649 8.412 ( -4.266 14.022 -8.577) 16.982 12.470 ( 8.948 -9.285 16.890) 21.250 14.032 ( -2.950 25.177 7.628) 26.472 15.045 ( -10.541 10.441 -9.620) 17.682 15.528 ( 8.800 5.987 -7.739) 13.160 16.598 ( -0.689 -9.230 -0.082) 9.256 17.160 ( -2.488 -19.460 3.107) 19.863 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 2.882 4.555 5.937) 8.019 1.248 ( -4.355 -12.305 -10.095) 16.501 1.412 ( 5.970 -7.217 4.026) 10.195 2.115 ( -0.865 6.613 1.100) 6.759 2.527 ( -3.954 4.810 8.883) 10.848 2.797 ( -0.175 -2.621 2.982) 3.974 2.999 ( 2.063 -1.673 -5.120) 5.768 3.191 ( 2.045 -3.641 -8.089) 9.103 4.201 ( 3.979 5.196 3.352) 7.353 4.688 ( 0.723 5.718 0.398) 5.777 4.926 ( -3.412 -9.659 -4.618) 11.237 6.284 ( -6.698 -5.393 5.004) 9.949 6.329 ( -0.250 -8.774 -2.414) 9.103 7.008 ( -7.824 -2.262 8.231) 11.579 7.514 ( 5.073 0.675 -0.916) 5.200 7.651 ( 3.993 -2.950 -0.600) 5.001 8.259 ( 7.676 6.105 4.550) 10.812 8.392 ( -7.022 11.719 -6.897) 15.304 12.704 ( 16.664 -8.282 15.439) 24.179 14.052 ( -16.012 15.386 -14.512) 26.527 15.055 ( -2.929 16.292 10.237) 19.463 15.637 ( 0.846 1.406 0.347) 1.678 16.524 ( 2.287 -6.209 -1.271) 6.738 16.958 ( -0.427 -15.870 -3.441) 16.245 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 7.651 5.122 -2.666) 9.586 1.003 ( -3.421 -10.595 -7.688) 13.530 1.433 ( 2.410 -3.973 -0.613) 4.687 2.174 ( -2.153 5.629 1.429) 6.193 2.549 ( -4.098 2.115 11.144) 12.061 2.799 ( 0.807 -2.318 -1.833) 3.063 2.918 ( 1.396 -4.996 -5.222) 7.360 3.191 ( 2.856 -1.463 -4.575) 5.588 4.360 ( 4.601 7.443 2.040) 8.985 4.704 ( -5.389 -0.108 -5.744) 7.877 4.795 ( 2.133 -2.869 1.967) 4.081 6.117 ( -3.423 -9.439 0.037) 10.040 6.265 ( -3.533 -0.463 1.485) 3.860 6.915 ( -4.347 -4.929 5.924) 8.848 7.582 ( 2.154 1.875 -1.571) 3.259 7.683 ( 3.699 -3.774 -0.001) 5.284 8.322 ( -7.739 8.577 -4.002) 12.226 8.472 ( 6.969 3.709 5.375) 9.550 13.021 ( 17.302 -6.285 9.573) 20.749 13.744 ( -16.851 7.009 -16.034) 24.293 15.293 ( -0.347 16.967 15.466) 22.961 15.570 ( -9.576 -4.981 9.577) 14.430 16.540 ( 4.209 -0.716 -3.539) 5.546 16.805 ( 3.754 -10.914 -11.046) 15.976 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -3.335 -2.979 -2.271) 5.015 1.034 ( 10.541 3.493 -6.305) 12.770 1.426 ( 1.085 -1.188 -2.828) 3.254 2.129 ( -7.954 3.271 -2.041) 8.839 2.564 ( -4.589 1.815 11.520) 12.533 2.743 ( 3.562 -6.939 -5.891) 9.775 2.958 ( 3.061 1.860 -0.327) 3.597 3.178 ( 3.242 -4.548 -3.134) 6.404 4.490 ( -0.706 4.726 3.472) 5.907 4.564 ( -2.907 1.549 -8.238) 8.872 4.868 ( 4.016 1.712 1.738) 4.699 5.998 ( -1.599 -7.621 2.484) 8.174 6.223 ( -1.747 1.563 -0.788) 2.473 6.823 ( -2.706 -7.593 3.818) 8.919 7.608 ( -0.949 3.923 -2.208) 4.600 7.696 ( 2.142 -3.702 -0.325) 4.289 8.251 ( -6.832 5.116 0.349) 8.542 8.636 ( 6.149 0.496 4.250) 7.492 13.053 ( -12.240 4.215 -16.475) 20.952 13.697 ( 14.226 -5.975 13.216) 20.316 15.335 ( -14.901 -8.575 15.025) 22.832 15.534 ( -0.765 12.026 10.025) 15.675 16.551 ( 0.870 -1.460 -5.792) 6.037 16.776 ( 8.432 -0.928 -13.191) 15.683 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -4.378 6.801 5.404) 9.727 1.207 ( 10.932 1.944 -7.352) 13.317 1.401 ( -2.466 2.439 -6.516) 7.382 1.991 ( -6.862 -0.139 -0.621) 6.891 2.571 ( -4.270 2.154 10.018) 11.101 2.701 ( 2.832 -10.649 -5.286) 12.222 2.962 ( -1.742 0.381 1.311) 2.213 3.254 ( 9.166 1.299 -3.803) 10.008 4.445 ( -5.211 0.862 2.826) 5.990 4.559 ( -0.514 2.418 -4.621) 5.241 4.979 ( 4.724 6.076 -2.616) 8.129 5.935 ( -1.662 -4.898 5.457) 7.519 6.243 ( 3.356 2.347 -2.856) 4.993 6.726 ( -1.114 -9.625 3.960) 10.467 7.601 ( -4.365 6.245 -2.035) 7.887 7.686 ( 1.485 -2.818 -1.637) 3.582 8.195 ( -5.359 1.523 4.160) 6.953 8.736 ( 4.565 -2.633 1.545) 5.492 12.730 ( -17.535 8.429 -15.788) 25.056 14.008 ( 14.117 -11.136 20.869) 27.546 15.090 ( -10.611 -9.800 14.389) 20.388 15.639 ( -0.806 2.898 2.021) 3.624 16.518 ( 1.123 2.100 -8.019) 8.365 16.867 ( 6.464 5.547 -9.702) 12.910 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -0.425 2.522 9.304) 9.649 1.175 ( -11.689 -8.265 12.742) 19.165 1.624 ( 3.339 -2.103 -3.221) 5.094 2.131 ( 5.943 13.017 1.036) 14.347 2.575 ( 3.016 0.585 0.481) 3.109 2.767 ( 2.046 -7.821 -2.966) 8.611 2.915 ( -9.826 2.415 -4.426) 11.044 3.324 ( 0.432 -3.315 -1.167) 3.541 4.256 ( -2.240 5.155 4.422) 7.152 4.440 ( -0.536 4.009 -1.342) 4.261 5.117 ( 2.471 -8.630 -3.982) 9.820 6.148 ( 8.924 -11.719 5.092) 15.586 6.741 ( 2.406 -3.883 -2.349) 5.137 6.972 ( 7.045 -3.131 10.326) 12.887 7.646 ( 0.986 7.972 1.123) 8.111 7.787 ( -9.787 1.259 1.353) 9.960 7.827 ( -9.152 -3.975 -4.077) 10.779 8.279 ( 4.255 12.962 -4.738) 14.442 12.677 ( -15.221 -6.798 16.131) 23.197 13.594 ( 3.000 18.017 9.236) 20.468 14.821 ( 7.509 5.501 -6.372) 11.281 15.598 ( -0.428 0.388 0.646) 0.866 16.694 ( 0.675 -3.801 -4.358) 5.822 17.338 ( 2.914 -10.726 -2.755) 11.451 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 9.926 -2.392 14.968) 18.119 0.989 ( -9.948 -6.753 16.112) 20.104 1.587 ( 1.054 -7.664 -8.418) 11.433 2.357 ( 3.630 8.791 -4.074) 10.347 2.483 ( -8.062 5.345 -0.961) 9.720 2.749 ( 5.125 -2.632 -3.830) 6.919 2.849 ( -1.205 -2.060 3.599) 4.319 3.269 ( -0.813 -5.338 -1.646) 5.645 4.223 ( -5.673 2.097 1.956) 6.357 4.545 ( 3.127 9.290 -1.012) 9.855 5.039 ( 2.340 -11.956 -1.363) 12.259 6.201 ( 7.150 -11.518 6.512) 15.040 6.658 ( -3.194 -7.470 -2.919) 8.633 7.117 ( 7.996 -3.575 6.769) 11.070 7.625 ( -12.170 -2.190 4.984) 13.332 7.655 ( -5.447 2.170 -3.534) 6.846 7.794 ( 4.923 10.627 -0.776) 11.738 8.443 ( 2.540 13.535 -5.926) 14.992 12.478 ( -9.279 -9.696 17.548) 22.092 13.947 ( 7.365 23.220 6.077) 25.107 15.014 ( 9.016 10.619 -5.542) 14.993 15.538 ( -7.021 5.162 -6.793) 11.049 16.622 ( -0.347 -7.159 -1.913) 7.419 17.211 ( 0.222 -18.940 1.429) 18.995 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -6.693 -2.471 15.648) 17.198 1.046 ( 11.668 -6.323 13.593) 18.997 1.402 ( -2.916 -12.873 -11.945) 17.802 2.246 ( -6.466 0.294 -5.050) 8.210 2.624 ( 0.125 14.745 2.965) 15.041 2.803 ( 2.829 -1.690 -4.082) 5.246 2.847 ( 2.938 -0.483 4.981) 5.803 3.173 ( -1.105 -7.616 -3.328) 8.384 4.174 ( -2.910 2.241 1.401) 3.931 4.664 ( 1.081 7.792 -0.500) 7.883 4.946 ( 1.751 -12.313 -1.424) 12.518 6.255 ( 5.378 -8.294 8.130) 12.799 6.475 ( -5.532 -8.773 -4.550) 11.326 7.256 ( 7.573 -1.933 3.664) 8.632 7.419 ( -12.280 -2.532 5.119) 13.543 7.603 ( -1.754 2.120 -1.752) 3.262 7.997 ( 6.925 9.419 0.180) 11.692 8.545 ( -1.213 12.411 -6.704) 14.158 12.403 ( -0.291 -10.026 17.715) 20.358 14.303 ( 3.449 23.597 -3.616) 24.120 15.221 ( 1.632 13.121 -2.003) 13.373 15.440 ( -1.690 7.192 -9.382) 11.942 16.526 ( -1.083 -9.469 2.294) 9.803 17.010 ( -1.339 -21.671 2.874) 21.902 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -3.311 -0.032 11.879) 12.332 1.135 ( -4.261 -11.713 -10.902) 16.559 1.234 ( 9.587 -8.123 7.703) 14.739 2.173 ( -1.151 2.141 -0.757) 2.546 2.733 ( -4.121 10.479 4.233) 12.029 2.767 ( -0.129 -3.843 -0.350) 3.861 2.941 ( 0.663 -0.984 -1.490) 1.905 3.078 ( 2.616 -2.892 -4.068) 5.635 4.205 ( 2.355 2.862 2.800) 4.645 4.732 ( 0.194 3.977 0.807) 4.063 4.838 ( -0.261 -9.187 -3.371) 9.790 6.229 ( -4.248 -9.869 -5.141) 11.912 6.339 ( 1.304 -4.000 7.100) 8.253 7.201 ( -11.967 -3.230 6.045) 13.791 7.404 ( 7.840 -0.259 -0.139) 7.845 7.603 ( 0.292 1.056 -0.052) 1.097 8.204 ( 7.532 6.142 1.517) 9.836 8.566 ( -4.830 10.677 -6.543) 13.421 12.487 ( 9.212 -9.693 16.848) 21.510 14.361 ( -12.694 16.868 -20.779) 29.621 15.340 ( -3.018 16.966 10.565) 20.213 15.557 ( 8.826 6.135 -7.604) 13.166 16.440 ( -0.320 -9.396 5.492) 10.888 16.790 ( -1.260 -19.362 0.026) 19.403 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.953 0.832 5.350) 5.498 0.932 ( -3.094 -4.777 -5.541) 7.943 1.314 ( 5.674 -6.999 2.266) 9.291 2.220 ( 2.257 2.380 2.012) 3.848 2.729 ( -0.329 -4.084 -1.181) 4.264 2.744 ( -5.823 4.755 1.123) 7.601 2.846 ( -1.477 -2.125 -2.052) 3.302 3.135 ( 2.124 1.297 -0.660) 2.575 4.337 ( 6.367 4.784 1.875) 8.182 4.716 ( -1.998 -7.568 -0.792) 7.867 4.775 ( 0.378 3.222 -0.715) 3.323 6.023 ( -2.858 -10.120 -5.863) 12.040 6.363 ( -1.848 -0.510 6.460) 6.739 7.007 ( -9.022 -4.667 2.778) 10.530 7.524 ( 5.534 0.567 -0.229) 5.568 7.629 ( 1.319 0.645 1.383) 2.017 8.385 ( 7.189 2.297 2.283) 7.884 8.521 ( -6.828 8.288 -5.195) 11.929 12.717 ( 16.641 -8.836 14.820) 23.971 14.046 ( -20.932 10.730 -23.529) 33.270 15.548 ( -1.057 13.727 11.287) 17.803 15.666 ( 0.578 1.414 0.289) 1.555 16.426 ( 4.812 -4.397 2.583) 7.011 16.605 ( 0.008 -12.716 -3.700) 13.243 ======================= Grid point 307 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.238 3.284 -1.074) 3.463 0.911 ( 3.669 2.694 1.505) 4.794 1.343 ( 4.169 -4.414 -0.298) 6.079 2.257 ( -3.322 2.253 -0.026) 4.014 2.605 ( -0.644 -6.240 -5.752) 8.511 2.751 ( -4.429 4.626 9.049) 11.086 2.870 ( 5.329 1.901 -4.405) 7.170 3.126 ( -1.870 -3.203 0.317) 3.722 4.497 ( 4.833 6.632 -3.793) 9.040 4.614 ( -3.672 -2.439 1.132) 4.551 4.825 ( 3.369 0.117 2.495) 4.194 5.886 ( 1.233 -8.479 -3.742) 9.350 6.338 ( -5.193 1.537 4.097) 6.791 6.838 ( -5.593 -6.226 0.417) 8.380 7.591 ( 2.855 -0.034 -1.334) 3.151 7.674 ( 0.758 1.780 2.451) 3.123 8.434 ( -7.650 6.336 -1.872) 10.107 8.529 ( 6.925 -2.333 1.295) 7.422 13.009 ( 14.305 -4.701 7.112) 16.653 13.681 ( -14.053 4.886 -12.541) 19.458 15.569 ( -10.477 -6.047 10.513) 16.027 15.667 ( -1.204 2.080 1.080) 2.635 16.502 ( 0.233 -0.716 -1.815) 1.964 16.568 ( 9.738 2.838 -3.895) 10.866 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 2.768 7.293 -0.758) 7.838 1.033 ( 4.845 5.131 0.252) 7.062 1.375 ( 3.147 -0.967 -1.547) 3.638 2.142 ( -9.605 1.522 -2.116) 9.952 2.544 ( 1.639 -5.946 -2.724) 6.742 2.756 ( -6.376 2.479 9.628) 11.811 2.973 ( 3.016 1.704 -4.094) 5.363 3.080 ( 5.683 -1.879 -1.281) 6.121 4.549 ( -0.461 3.311 -4.275) 5.427 4.564 ( -3.225 -0.185 2.500) 4.084 4.933 ( 5.548 3.379 0.563) 6.520 5.849 ( 4.068 -6.491 -0.468) 7.675 6.285 ( -4.238 2.558 0.944) 5.039 6.702 ( -3.219 -6.787 1.165) 7.602 7.620 ( 2.040 -0.381 -1.391) 2.499 7.701 ( -1.848 3.295 0.727) 3.848 8.355 ( -7.193 3.799 2.058) 8.391 8.604 ( 6.010 -5.915 -0.350) 8.440 13.022 ( -12.659 9.952 -11.243) 19.639 13.697 ( 16.693 -9.517 12.258) 22.793 15.330 ( -15.757 -9.218 13.846) 22.912 15.593 ( 0.024 -9.359 -8.928) 12.934 16.520 ( 0.217 4.918 0.163) 4.925 16.773 ( 8.104 10.422 -4.899) 14.082 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -11.833 6.396 -1.241) 13.508 1.310 ( -4.673 -5.313 5.688) 9.079 1.499 ( 2.662 -5.274 -6.808) 9.014 2.131 ( 7.129 9.536 0.120) 11.907 2.522 ( 5.158 0.003 4.887) 7.106 2.672 ( -0.015 -6.535 1.214) 6.647 3.096 ( -12.121 1.400 -6.647) 13.894 3.254 ( 1.975 -2.600 -3.135) 4.527 4.361 ( 1.985 7.806 6.382) 10.276 4.478 ( -3.238 -0.706 -2.424) 4.105 4.989 ( 0.999 -4.767 -5.554) 7.388 5.933 ( 6.963 -9.214 4.299) 12.323 6.637 ( 4.502 -1.401 -3.302) 5.756 6.901 ( 4.289 -5.001 11.405) 13.172 7.640 ( 2.038 0.467 -2.269) 3.085 7.859 ( -5.526 -2.117 -8.940) 10.721 8.066 ( -8.964 7.334 7.399) 13.743 8.290 ( 3.809 7.142 0.499) 8.110 13.009 ( -19.388 -6.694 14.175) 24.933 13.598 ( 11.366 9.113 -8.666) 16.951 14.862 ( -0.014 12.877 9.785) 16.173 15.545 ( 7.555 -4.137 8.773) 12.295 16.635 ( -0.598 -2.152 -5.084) 5.553 17.181 ( 0.470 -7.351 -9.958) 12.386 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 0.374 2.480 7.611) 8.013 1.187 ( -8.841 -4.881 10.474) 14.550 1.417 ( 1.591 -9.239 -10.628) 14.172 2.332 ( 5.316 6.727 -4.702) 9.779 2.595 ( -1.753 -2.360 3.968) 4.938 2.625 ( 4.858 -1.009 0.595) 4.997 2.910 ( -6.271 0.350 -2.488) 6.756 3.228 ( -0.496 -2.326 -3.072) 3.885 4.345 ( -5.857 -0.418 0.756) 5.920 4.574 ( 4.330 10.047 0.427) 10.949 4.906 ( -0.272 -8.971 -0.921) 9.023 6.002 ( 8.226 -8.521 5.027) 12.866 6.612 ( -1.149 -5.748 -3.302) 6.728 6.994 ( 6.262 -5.328 7.610) 11.203 7.647 ( -0.161 -1.892 -3.806) 4.253 7.744 ( -2.366 1.463 -4.020) 4.888 7.999 ( -10.376 8.577 6.896) 15.125 8.465 ( 5.457 10.327 -2.902) 12.035 12.712 ( -16.255 -9.012 16.489) 24.846 13.896 ( 16.693 13.826 -11.685) 24.624 15.090 ( 1.112 17.253 11.000) 20.491 15.618 ( -0.529 0.640 0.882) 1.211 16.561 ( -1.153 -4.386 -3.257) 5.584 17.020 ( 0.031 -15.965 -5.594) 16.917 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 7.822 -2.605 10.500) 13.350 1.057 ( -7.873 -4.187 10.123) 13.491 1.247 ( -1.752 -10.980 -9.470) 14.605 2.292 ( -4.111 -2.882 -5.139) 7.185 2.689 ( 6.328 0.865 -2.449) 6.840 2.729 ( 3.898 8.031 4.858) 10.164 2.845 ( -0.700 -1.098 0.655) 1.458 3.152 ( -3.741 -1.987 -2.464) 4.901 4.255 ( -4.354 0.026 0.313) 4.365 4.721 ( 1.502 8.640 -0.514) 8.785 4.803 ( 0.304 -11.098 0.656) 11.122 6.110 ( 8.389 -6.021 7.024) 12.489 6.460 ( -5.318 -7.932 -4.747) 10.664 7.107 ( 8.252 -3.647 3.420) 9.649 7.558 ( -5.499 -2.443 -1.588) 6.223 7.693 ( -4.373 -0.179 2.146) 4.875 8.026 ( -0.260 10.333 0.625) 10.356 8.613 ( 2.329 10.125 -4.603) 11.363 12.497 ( -9.571 -9.985 17.813) 22.552 14.262 ( 16.750 17.534 -17.696) 30.020 15.343 ( 0.741 16.307 9.967) 19.126 15.562 ( -6.443 5.419 -5.987) 10.330 16.479 ( -1.344 -6.572 1.791) 6.943 16.815 ( -0.030 -21.071 -0.524) 21.077 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -2.805 -4.557 4.046) 6.709 1.046 ( 7.693 -6.579 6.884) 12.242 1.074 ( -4.800 -6.089 1.343) 7.869 2.190 ( -1.479 -1.487 -2.786) 3.487 2.711 ( 0.363 -1.175 -3.643) 3.845 2.859 ( 0.215 0.263 0.465) 0.576 2.918 ( 5.216 2.728 2.901) 6.562 3.066 ( -3.849 4.369 0.152) 5.825 4.217 ( -0.605 0.242 2.194) 2.288 4.705 ( 0.678 -11.083 2.723) 11.433 4.796 ( -0.263 6.445 -4.035) 7.608 6.198 ( -2.890 -6.562 -0.805) 7.215 6.280 ( 2.621 -4.873 1.789) 5.815 7.244 ( 9.452 -1.800 -0.009) 9.622 7.387 ( -10.322 -4.378 2.923) 11.586 7.650 ( -2.742 1.710 1.890) 3.744 8.157 ( 4.976 6.641 -1.045) 8.364 8.681 ( -1.634 8.887 -5.817) 10.747 12.416 ( -0.493 -10.383 17.751) 20.571 14.500 ( 2.195 17.948 -25.830) 31.530 15.459 ( 1.372 6.736 -8.923) 11.264 15.589 ( -1.288 12.667 8.474) 15.295 16.411 ( -1.473 -8.890 8.616) 12.468 16.620 ( -0.024 -18.082 2.237) 18.220 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.694 1.014 4.766) 4.922 0.977 ( -4.867 -1.115 4.834) 6.950 1.139 ( 7.557 -9.004 4.558) 12.608 2.190 ( 3.042 0.337 -0.377) 3.084 2.674 ( 0.120 -0.863 -5.013) 5.089 2.779 ( -4.225 -4.514 -4.442) 7.613 2.979 ( -2.398 3.418 6.789) 7.970 3.139 ( 0.643 6.430 1.137) 6.561 4.280 ( 4.965 1.622 3.618) 6.354 4.640 ( 1.546 -8.195 1.460) 8.467 4.807 ( -1.359 3.539 -3.241) 4.988 5.978 ( -6.398 -7.782 -6.244) 11.852 6.373 ( 3.686 -1.055 5.670) 6.845 7.148 ( -11.247 -4.466 -1.273) 12.169 7.407 ( 8.366 -0.941 2.303) 8.728 7.652 ( -0.674 2.027 2.391) 3.206 8.292 ( 6.120 1.834 -0.521) 6.410 8.667 ( -4.888 7.263 -6.154) 10.702 12.492 ( 9.117 -10.217 16.658) 21.563 14.347 ( -16.734 13.548 -27.153) 34.653 15.569 ( 7.930 3.679 -8.450) 12.159 15.703 ( 0.421 5.031 0.274) 5.056 16.367 ( 0.086 -8.761 13.693) 16.256 16.519 ( -0.300 -5.197 4.567) 6.926 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -2.110 -3.929 5.953) 7.439 1.000 ( -0.146 11.386 4.202) 12.138 1.197 ( 6.782 -7.497 2.818) 10.495 2.268 ( 3.665 1.243 0.324) 3.884 2.597 ( -5.867 -2.022 -3.150) 6.960 2.695 ( 4.756 -1.033 -7.152) 8.651 2.993 ( -5.255 3.315 7.415) 9.674 3.159 ( -3.416 1.528 0.571) 3.786 4.437 ( 6.816 4.429 0.440) 8.141 4.615 ( 1.143 -3.717 1.651) 4.224 4.798 ( 0.462 -0.343 0.379) 0.689 5.798 ( -2.429 -5.703 -4.625) 7.734 6.426 ( -0.676 0.384 3.978) 4.053 6.903 ( -9.729 -5.376 -2.999) 11.513 7.527 ( 4.768 0.209 0.209) 4.777 7.697 ( 1.195 2.243 3.704) 4.492 8.384 ( 5.959 -3.728 -1.010) 7.102 8.599 ( -6.385 5.993 -4.202) 9.713 12.715 ( 16.617 -9.303 14.604) 23.999 13.977 ( -20.810 10.191 -21.589) 31.670 15.568 ( 1.838 -9.685 -10.646) 14.509 15.699 ( -2.942 -2.872 1.362) 4.331 16.455 ( 5.710 2.539 4.195) 7.526 16.557 ( 0.127 5.445 10.173) 11.539 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 2.772 -2.875 -1.244) 4.183 1.154 ( -0.254 12.662 3.949) 13.266 1.271 ( 6.366 -3.550 3.149) 7.940 2.275 ( -4.590 0.850 -1.992) 5.075 2.497 ( -1.857 -1.420 -0.104) 2.340 2.794 ( 10.315 2.145 -7.423) 12.887 2.936 ( -6.017 -4.051 6.398) 9.673 3.103 ( -5.289 4.635 1.026) 7.107 4.525 ( 1.113 0.799 -5.118) 5.298 4.620 ( 0.033 -0.541 3.363) 3.406 4.873 ( 5.744 2.120 4.343) 7.507 5.734 ( 2.132 -3.037 -2.132) 4.279 6.399 ( -5.310 1.176 1.490) 5.639 6.702 ( -4.558 -5.640 -2.820) 7.780 7.585 ( 2.009 1.110 -0.530) 2.356 7.756 ( -0.097 2.476 2.674) 3.645 8.402 ( 4.780 -7.639 -4.088) 9.896 8.538 ( -5.318 3.860 1.446) 6.728 13.015 ( 16.336 -5.158 9.742) 19.708 13.646 ( -13.417 5.963 -11.464) 18.628 15.370 ( 0.830 -16.781 -14.891) 22.451 15.564 ( -10.994 -6.631 9.849) 16.182 16.561 ( 1.886 3.837 1.297) 4.468 16.767 ( 5.536 13.813 3.982) 15.404 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -13.697 6.104 -4.688) 15.711 1.291 ( 3.695 -0.444 -3.456) 5.078 1.352 ( 1.604 -7.983 -8.979) 12.121 2.108 ( 5.476 6.806 2.675) 9.136 2.457 ( 5.080 -1.839 6.392) 8.369 2.646 ( -2.118 -5.142 2.163) 5.967 3.186 ( 1.909 0.292 -2.733) 3.346 3.260 ( -10.666 -1.460 -5.814) 12.235 4.411 ( 4.293 6.901 4.613) 9.345 4.499 ( -2.657 -2.764 -1.179) 4.011 4.925 ( -0.104 0.537 -7.433) 7.453 5.793 ( 2.864 -6.896 3.715) 8.340 6.529 ( 5.106 0.543 -3.067) 5.981 6.861 ( 1.651 -7.022 11.551) 13.618 7.580 ( 2.315 -0.774 -4.069) 4.745 7.853 ( -1.619 -0.466 -8.500) 8.665 8.221 ( 5.034 7.956 2.777) 9.816 8.391 ( -8.950 1.568 8.515) 12.453 13.169 ( 5.019 -4.343 -14.032) 15.523 13.538 ( -9.575 1.019 11.484) 14.987 15.097 ( -0.041 11.928 14.975) 19.145 15.395 ( 11.085 -3.043 13.831) 17.985 16.607 ( -1.500 -1.328 -5.078) 5.458 17.064 ( -2.601 -4.340 -15.218) 16.037 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -9.167 5.478 -0.302) 10.683 1.224 ( 0.615 -9.196 -11.811) 14.981 1.298 ( -1.129 -2.599 3.833) 4.767 2.275 ( 4.953 5.218 -2.132) 7.504 2.548 ( 1.926 -2.084 2.485) 3.771 2.600 ( 2.536 -2.272 5.507) 6.475 3.021 ( -9.926 -2.081 -4.578) 11.127 3.198 ( 0.947 -0.204 -2.548) 2.726 4.412 ( -3.718 -1.333 -1.512) 4.229 4.597 ( 4.813 7.803 2.942) 9.629 4.865 ( -2.271 -2.647 -2.705) 4.414 5.830 ( 6.402 -5.805 3.980) 9.514 6.547 ( 0.621 -3.728 -3.533) 5.174 6.890 ( 4.054 -7.423 7.834) 11.529 7.593 ( 2.051 -0.519 -2.787) 3.499 7.771 ( -2.700 1.046 -5.883) 6.557 8.289 ( -10.481 4.857 6.635) 13.322 8.429 ( 7.549 6.743 0.175) 10.123 13.004 ( -14.774 -6.693 9.234) 18.664 13.627 ( 14.296 6.958 -10.481) 19.043 15.340 ( 1.368 15.123 14.517) 21.008 15.585 ( 5.450 -1.736 8.578) 10.310 16.534 ( -1.643 -2.062 -4.008) 4.797 16.853 ( -3.219 -10.601 -12.772) 16.908 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -0.725 0.951 3.561) 3.757 1.058 ( -1.287 -7.427 -10.496) 12.923 1.262 ( -4.696 -2.269 8.730) 10.169 2.277 ( -2.286 -4.172 -4.499) 6.548 2.592 ( 5.552 0.247 2.423) 6.062 2.741 ( 4.760 4.718 5.363) 8.584 2.856 ( -3.847 -1.587 -3.948) 5.736 3.183 ( -0.978 0.204 -2.200) 2.416 4.330 ( -4.518 0.065 0.549) 4.552 4.711 ( 0.966 -2.180 -2.401) 3.384 4.798 ( -1.483 2.736 2.253) 3.842 5.948 ( 9.177 -3.389 5.632) 11.288 6.437 ( -3.955 -7.000 -4.460) 9.194 6.954 ( 6.734 -5.169 3.117) 9.043 7.588 ( -1.269 -0.514 -1.804) 2.264 7.722 ( -0.732 -0.298 -1.595) 1.780 8.203 ( -8.085 5.328 2.835) 10.089 8.610 ( 5.619 7.357 -2.259) 9.530 12.729 ( -15.835 -9.148 16.225) 24.448 13.959 ( 21.326 13.410 -18.666) 31.353 15.577 ( -0.293 13.164 10.361) 16.755 15.639 ( -1.303 0.771 0.023) 1.514 16.469 ( -1.981 -2.168 -0.166) 2.942 16.619 ( -1.586 -15.632 -4.740) 16.412 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 3.499 -3.859 3.147) 6.086 0.962 ( 0.163 -0.879 -2.347) 2.512 1.196 ( -7.141 -2.874 11.424) 13.775 2.160 ( -1.394 -4.553 -4.101) 6.284 2.696 ( 0.388 1.967 -1.703) 2.631 2.783 ( 4.443 -3.694 0.957) 5.857 2.902 ( 2.692 4.224 1.548) 5.243 3.167 ( -0.853 3.344 0.305) 3.465 4.275 ( -3.773 1.311 3.268) 5.160 4.618 ( -1.312 -8.176 -0.280) 8.285 4.846 ( -0.511 4.892 -1.345) 5.099 6.127 ( 9.213 -0.837 6.541) 11.330 6.238 ( -6.762 -7.442 -6.365) 11.900 7.055 ( 9.209 -3.520 -0.344) 9.865 7.502 ( -6.501 -2.396 0.279) 6.934 7.708 ( -0.965 -0.785 2.249) 2.571 8.175 ( -1.433 5.091 -1.574) 5.518 8.725 ( 1.913 6.615 -4.411) 8.177 12.511 ( -9.819 -10.479 17.817) 22.884 14.332 ( 17.667 16.853 -24.283) 34.435 15.544 ( -7.849 5.490 -8.248) 12.640 15.697 ( 0.418 1.041 -0.655) 1.299 16.404 ( -1.515 -10.230 10.730) 14.903 16.509 ( 0.661 -4.138 5.018) 6.538 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 5.201 -2.572 6.937) 9.044 0.988 ( 1.433 1.443 3.592) 4.127 1.105 ( -7.053 -3.332 10.499) 13.080 2.120 ( 3.027 -1.570 -3.323) 4.762 2.647 ( -1.287 -0.767 -6.399) 6.572 2.800 ( -3.132 -0.995 -1.254) 3.517 2.997 ( 4.322 1.292 4.838) 6.615 3.228 ( 0.306 4.904 2.848) 5.679 4.285 ( -0.301 3.175 5.923) 6.727 4.538 ( 1.381 -7.137 -0.147) 7.270 4.848 ( -1.945 2.377 -2.625) 4.041 5.998 ( -7.946 -6.252 -6.298) 11.912 6.304 ( 7.024 0.286 4.764) 8.492 7.171 ( 6.250 -1.699 -6.645) 9.279 7.349 ( -5.913 -4.613 5.808) 9.485 7.702 ( -1.185 0.438 3.193) 3.434 8.219 ( 3.220 1.873 -2.746) 4.628 8.753 ( -1.903 5.657 -5.870) 8.371 12.419 ( -0.765 -10.943 17.642) 20.775 14.490 ( -1.395 14.307 -28.435) 31.862 15.457 ( -0.050 3.651 -10.106) 10.746 15.630 ( 2.347 -7.794 -10.308) 13.134 16.391 ( -0.344 -6.451 16.488) 17.708 16.571 ( -0.077 3.398 12.526) 12.979 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -4.970 -8.065 10.305) 13.998 1.010 ( 6.434 -9.414 5.822) 12.803 1.161 ( 0.253 14.124 6.789) 15.673 2.185 ( 6.246 1.083 -2.497) 6.813 2.580 ( 0.912 -2.716 -9.340) 9.770 2.696 ( -6.695 1.915 -1.433) 7.110 3.078 ( -0.588 -0.696 5.150) 5.230 3.269 ( -2.111 3.164 3.560) 5.210 4.392 ( 3.669 4.178 3.276) 6.453 4.537 ( 4.377 -3.107 1.826) 5.670 4.807 ( -1.988 -0.349 -0.649) 2.120 5.795 ( -5.477 -3.899 -4.489) 8.084 6.422 ( 3.555 0.851 2.607) 4.490 7.012 ( -10.848 -4.059 -6.916) 13.490 7.420 ( 8.196 -1.296 3.431) 8.979 7.723 ( 0.431 1.018 3.882) 4.037 8.258 ( 3.287 -3.174 -2.825) 5.372 8.715 ( -4.122 5.096 -5.298) 8.428 12.485 ( 8.945 -10.705 16.555) 21.649 14.260 ( -15.949 8.109 -25.114) 30.836 15.342 ( -0.180 -12.516 -14.368) 19.056 15.647 ( 6.481 2.279 -6.994) 9.804 16.454 ( 1.644 0.260 10.671) 10.800 16.703 ( -0.235 6.504 15.437) 16.753 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -3.796 -8.674 5.950) 11.182 1.105 ( 8.942 -6.189 5.588) 12.227 1.332 ( -1.140 12.479 5.450) 13.665 2.277 ( 2.759 0.900 -3.336) 4.422 2.515 ( 1.501 -3.326 -5.643) 6.720 2.653 ( 0.622 5.682 -4.894) 7.524 3.003 ( -6.191 -6.387 3.780) 9.665 3.284 ( -4.454 6.417 4.284) 8.908 4.460 ( 2.785 -2.700 -2.035) 4.381 4.603 ( 1.620 0.634 -2.217) 2.818 4.852 ( 4.521 3.383 9.936) 11.429 5.696 ( -1.074 -0.891 -2.014) 2.450 6.475 ( -0.215 1.691 1.080) 2.018 6.737 ( -9.959 -4.958 -7.106) 13.201 7.545 ( 4.833 1.175 0.427) 4.992 7.782 ( 1.734 1.070 4.427) 4.873 8.224 ( 2.349 -8.207 -4.556) 9.677 8.667 ( -4.346 4.371 -1.480) 6.339 12.702 ( 16.790 -9.996 14.690) 24.446 13.901 ( -16.269 4.700 -18.866) 25.352 15.104 ( -0.686 -14.528 -15.067) 20.942 15.676 ( -2.461 -2.349 2.084) 3.990 16.565 ( 2.862 4.566 3.001) 6.168 16.876 ( 1.786 9.903 10.473) 14.524 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 7.716 0.431 -6.186) 9.899 1.166 ( 2.965 -10.136 -10.849) 15.140 1.297 ( -10.829 6.500 -8.001) 14.951 2.117 ( 3.749 7.026 4.570) 9.182 2.399 ( 5.282 -1.950 10.109) 11.571 2.670 ( -4.943 -4.007 1.502) 6.538 3.147 ( 0.247 -1.877 -2.631) 3.241 3.354 ( -5.327 -0.728 -5.480) 7.677 4.413 ( 3.486 3.080 2.032) 5.076 4.520 ( -1.103 0.767 1.764) 2.217 4.900 ( -1.236 2.661 -9.934) 10.359 5.735 ( -0.064 -4.787 2.265) 5.296 6.454 ( 3.257 2.137 -0.904) 3.999 6.843 ( -0.811 -8.924 10.859) 14.079 7.504 ( 3.772 1.803 -5.100) 6.595 7.815 ( 0.679 0.927 -6.405) 6.507 8.192 ( 4.974 0.760 4.243) 6.582 8.606 ( -7.591 1.898 6.731) 10.322 12.827 ( 14.773 -0.523 -20.596) 25.352 13.848 ( -12.409 -6.295 19.929) 24.305 15.078 ( 10.105 -7.175 14.241) 18.879 15.463 ( 0.681 13.305 13.035) 18.639 16.596 ( -2.280 -0.519 -6.017) 6.456 17.004 ( -4.497 -0.949 -16.171) 16.811 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.296 -8.314 -7.729) 11.355 1.081 ( -8.474 4.049 -5.611) 10.940 1.261 ( 4.468 1.791 -3.893) 6.191 2.254 ( 2.598 4.058 1.304) 4.992 2.546 ( 4.490 3.567 8.455) 10.216 2.563 ( -2.230 -4.914 0.997) 5.487 3.114 ( -1.928 -3.186 -5.009) 6.242 3.176 ( -6.379 -2.960 -1.723) 7.240 4.450 ( -1.601 1.841 -0.993) 2.634 4.596 ( 3.833 3.860 3.016) 6.220 4.864 ( -0.492 1.756 -5.975) 6.247 5.727 ( 2.753 -3.385 2.964) 5.275 6.487 ( 0.699 -1.544 -2.801) 3.274 6.804 ( 1.670 -9.631 7.639) 12.406 7.548 ( 1.798 1.625 -1.939) 3.103 7.783 ( -1.441 1.287 -5.586) 5.910 8.344 ( 8.164 1.733 3.150) 8.920 8.522 ( -8.423 2.228 4.381) 9.752 12.995 ( 12.396 5.125 -14.989) 20.115 13.637 ( -13.068 -6.461 14.647) 20.665 15.324 ( 13.759 -5.221 14.721) 20.815 15.644 ( 0.294 7.725 7.525) 10.789 16.524 ( -1.788 -0.029 -4.049) 4.427 16.797 ( -7.117 -1.795 -14.393) 16.156 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -4.798 -1.082 -2.593) 5.561 0.977 ( -2.657 1.815 -5.360) 6.252 1.322 ( 1.265 0.642 2.401) 2.789 2.259 ( -2.681 -4.123 -0.965) 5.012 2.531 ( 2.847 -0.988 2.245) 3.758 2.743 ( 5.535 7.167 6.839) 11.348 2.914 ( -8.557 -2.249 -6.395) 10.916 3.141 ( 2.336 -3.807 -1.177) 4.619 4.427 ( -3.995 2.879 2.520) 5.532 4.665 ( 0.842 -1.238 -3.029) 3.379 4.854 ( -0.417 3.325 -0.458) 3.383 5.812 ( 7.257 -1.041 4.036) 8.369 6.408 ( -2.984 -5.672 -3.409) 7.259 6.815 ( 4.827 -6.374 2.697) 8.438 7.580 ( 1.155 1.067 -0.173) 1.582 7.730 ( -2.195 0.164 -3.385) 4.038 8.391 ( -7.892 0.115 2.637) 8.321 8.545 ( 7.416 4.461 -0.296) 8.659 12.999 ( -11.914 -4.153 8.032) 14.957 13.650 ( 14.084 7.372 -8.903) 18.220 15.565 ( 9.326 -3.790 10.449) 14.509 15.693 ( -0.006 -2.354 -1.657) 2.879 16.498 ( -1.619 2.324 -0.015) 2.833 16.579 ( -7.928 -0.403 -6.363) 10.174 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -3.008 1.285 0.121) 3.273 0.971 ( 0.554 4.542 0.379) 4.591 1.335 ( -3.482 -0.793 7.388) 8.206 2.125 ( -3.715 -6.590 -1.891) 7.798 2.646 ( 7.636 0.342 4.046) 8.649 2.740 ( -4.738 -1.776 -7.346) 8.920 2.921 ( 2.459 5.824 3.534) 7.242 3.151 ( 3.324 -1.298 -0.096) 3.570 4.408 ( -4.952 4.245 5.308) 8.409 4.582 ( -2.923 -5.255 -2.904) 6.678 4.889 ( -0.331 3.537 -0.533) 3.592 5.986 ( 9.889 0.246 3.430) 10.470 6.253 ( -5.656 -5.173 -3.761) 8.538 6.866 ( 7.276 -5.158 -1.028) 8.977 7.580 ( -3.625 0.231 0.772) 3.714 7.696 ( 1.017 -1.160 -0.141) 1.549 8.267 ( -6.312 0.306 -1.189) 6.431 8.695 ( 5.327 4.204 -2.294) 7.163 12.740 ( -15.943 -9.746 16.256) 24.768 14.009 ( 21.460 14.669 -19.460) 32.472 15.580 ( 0.812 -13.163 -11.005) 17.176 15.646 ( -1.937 0.633 -1.193) 2.361 16.428 ( -3.536 -2.814 6.552) 7.959 16.578 ( -1.224 7.488 7.883) 10.941 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 1.544 -5.856 0.938) 6.128 1.098 ( 1.458 11.032 7.374) 13.350 1.269 ( -7.793 -3.569 11.047) 13.983 2.032 ( 1.309 -3.272 -3.715) 5.121 2.610 ( -2.118 -2.982 -9.162) 9.865 2.814 ( 4.952 2.615 3.487) 6.597 2.968 ( 1.239 -0.373 1.632) 2.083 3.239 ( 3.299 2.389 3.346) 5.271 4.416 ( -3.642 5.087 7.761) 9.969 4.469 ( -1.811 -4.799 -2.669) 5.782 4.891 ( -2.149 2.158 -0.869) 3.167 6.018 ( -4.652 -5.960 -6.930) 10.256 6.226 ( 5.983 3.089 4.719) 8.223 6.955 ( 10.136 -3.767 -4.382) 11.668 7.468 ( -8.271 -2.713 2.295) 9.002 7.720 ( 1.149 -0.886 2.704) 3.069 8.191 ( -0.974 0.005 -3.629) 3.758 8.773 ( 1.410 3.973 -4.284) 6.011 12.511 ( -9.963 -11.186 17.597) 23.110 14.331 ( 13.596 10.803 -25.088) 30.511 15.381 ( 3.237 -14.236 -14.543) 20.607 15.536 ( -8.013 4.813 -9.271) 13.165 16.441 ( -0.147 -2.746 14.291) 14.553 16.707 ( -0.129 6.908 13.564) 15.222 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 6.891 -10.765 5.267) 13.824 1.092 ( -10.022 -8.552 12.780) 18.355 1.333 ( 1.463 13.495 7.801) 15.656 2.062 ( 6.150 0.921 -4.873) 7.900 2.487 ( -1.155 -4.129 -11.261) 12.049 2.820 ( -5.283 3.214 -1.713) 6.417 3.083 ( 5.602 0.648 5.935) 8.187 3.298 ( 0.427 -1.266 4.927) 5.105 4.401 ( -0.107 -2.625 -2.623) 3.712 4.493 ( 1.728 4.775 5.864) 7.757 4.861 ( -3.437 2.225 2.282) 4.687 5.832 ( -5.853 -3.757 -4.737) 8.415 6.375 ( 4.875 2.743 1.442) 5.777 7.026 ( 2.436 -1.990 -10.606) 11.063 7.340 ( -1.686 -4.392 6.989) 8.425 7.744 ( 0.345 -0.222 3.610) 3.634 8.172 ( 1.587 -2.327 -3.575) 4.551 8.778 ( -1.687 3.964 -5.105) 6.680 12.410 ( -0.861 -11.344 17.557) 20.921 14.289 ( -2.710 -4.536 -26.680) 27.198 15.232 ( -4.223 -2.855 -14.313) 15.194 15.488 ( 6.668 4.934 -10.647) 13.497 16.515 ( 0.279 0.295 13.045) 13.051 16.858 ( 0.162 5.181 15.930) 16.752 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.524 -11.436 10.551) 15.569 0.925 ( 2.194 -9.827 10.832) 14.789 1.501 ( -1.029 10.415 4.246) 11.294 2.180 ( 7.261 3.058 -5.185) 9.432 2.360 ( 1.589 -5.223 -12.744) 13.864 2.751 ( -5.192 4.238 -2.255) 7.072 3.100 ( -6.708 -1.352 4.277) 8.070 3.364 ( 3.646 0.674 6.570) 7.544 4.373 ( 1.698 -3.932 -1.447) 4.521 4.564 ( 1.135 0.379 -4.845) 4.991 4.923 ( 1.274 7.717 13.063) 15.226 5.712 ( -2.815 -1.100 -1.768) 3.502 6.463 ( 2.860 2.484 -1.723) 4.162 6.841 ( -10.771 -2.652 -9.166) 14.390 7.433 ( 8.581 -1.984 3.730) 9.565 7.781 ( 1.551 0.116 4.113) 4.397 8.121 ( -0.791 -5.755 -3.818) 6.951 8.751 ( -2.493 3.903 -3.274) 5.671 12.471 ( 8.585 -10.934 16.494) 21.571 13.949 ( -6.925 -12.213 -22.805) 26.781 15.018 ( -8.478 0.419 -12.728) 15.299 15.622 ( 7.012 2.943 -6.660) 10.108 16.608 ( 0.735 3.891 7.463) 8.448 17.004 ( 0.630 5.555 13.154) 14.293 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.000 0.000 15.920) 15.920 0.963 ( -0.000 0.000 15.920) 15.920 1.337 ( -0.000 0.000 21.253) 21.253 2.171 ( 0.000 -0.000 -10.569) 10.569 2.171 ( 0.000 -0.000 -10.569) 10.569 3.103 ( 0.000 -0.000 -9.867) 9.867 3.125 ( -0.000 0.000 7.186) 7.186 3.125 ( -0.000 0.000 7.186) 7.186 4.210 ( 0.000 -0.000 -0.267) 0.267 4.210 ( -0.000 0.000 -0.267) 0.267 5.450 ( 0.000 -0.000 -1.268) 1.268 6.755 ( 0.000 -0.000 -1.326) 1.326 7.162 ( -0.000 0.000 1.419) 1.419 7.162 ( -0.000 0.000 1.419) 1.419 7.197 ( -0.000 0.000 6.356) 6.356 7.633 ( 0.000 -0.000 -1.322) 1.322 7.745 ( 0.000 -0.000 -3.262) 3.262 7.745 ( 0.000 -0.000 -3.262) 3.262 12.725 ( -0.000 0.000 21.251) 21.251 12.725 ( -0.000 0.000 21.251) 21.251 15.199 ( 0.000 -0.000 -13.491) 13.491 15.199 ( 0.000 -0.000 -13.491) 13.491 16.865 ( 0.000 -0.000 -2.718) 2.718 17.848 ( -0.000 0.000 2.041) 2.041 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -12.006 -10.850 18.548) 24.615 1.217 ( 2.097 10.313 13.718) 17.290 1.545 ( 6.686 0.049 15.356) 16.748 1.972 ( -3.135 -4.872 -7.824) 9.736 2.338 ( 11.421 7.090 -12.751) 18.528 2.944 ( -6.040 -5.555 1.282) 8.305 3.031 ( -6.186 -0.882 -0.754) 6.294 3.309 ( 4.491 2.646 4.531) 6.907 4.147 ( 0.047 -2.764 -0.811) 2.881 4.308 ( 3.556 4.428 -0.473) 5.699 5.383 ( -5.040 -2.183 -1.945) 5.827 6.638 ( -9.839 -4.534 2.497) 11.118 6.966 ( -9.709 -5.013 -0.060) 10.927 7.102 ( -1.621 -6.570 5.181) 8.523 7.375 ( 5.227 3.754 4.358) 7.772 7.670 ( 2.281 5.491 0.996) 6.029 7.819 ( 3.868 4.860 -3.224) 6.998 7.841 ( 10.715 1.987 -8.185) 13.629 12.694 ( -2.382 -2.118 20.589) 20.835 13.116 ( 10.810 7.571 20.396) 24.293 14.954 ( -7.470 -3.262 -14.602) 16.723 15.339 ( 11.555 6.013 -12.185) 17.837 16.819 ( -2.469 -1.463 -2.756) 3.979 17.737 ( -9.316 -6.045 2.779) 11.448 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -7.320 -6.296 17.233) 19.753 1.389 ( -1.096 8.212 8.188) 11.648 1.644 ( -1.883 -0.651 2.360) 3.088 1.917 ( 5.630 -5.749 0.005) 8.046 2.480 ( 6.906 0.311 -6.765) 9.672 2.873 ( 0.308 4.270 -5.944) 7.326 2.911 ( -5.987 -2.573 6.153) 8.963 3.363 ( -1.181 -0.041 -0.878) 1.472 4.156 ( 4.545 -3.833 1.929) 6.251 4.410 ( 2.572 6.376 -0.717) 6.912 5.231 ( -7.421 -2.943 -3.316) 8.644 6.406 ( -14.022 -4.068 5.278) 15.525 6.779 ( -5.020 -6.424 -3.291) 8.792 7.049 ( -2.535 -5.452 9.159) 10.956 7.513 ( 6.220 0.196 2.172) 6.591 7.787 ( 4.912 3.307 1.996) 6.248 7.895 ( -1.864 13.036 -9.593) 16.292 8.003 ( 11.936 -1.862 -1.144) 12.135 12.845 ( 5.614 1.922 20.208) 21.061 13.434 ( 5.249 6.413 10.279) 13.204 14.745 ( -4.065 -1.762 -8.174) 9.297 15.518 ( 8.941 4.959 -7.668) 12.780 16.729 ( -3.459 -2.209 -3.168) 5.185 17.498 ( -10.878 -7.839 0.758) 13.429 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 3.361 2.107 7.076) 8.112 1.412 ( -3.167 -0.843 -0.809) 3.375 1.561 ( -5.357 -0.232 -4.263) 6.851 1.981 ( 4.910 -3.376 3.470) 6.895 2.524 ( 1.454 -2.821 4.264) 5.315 2.805 ( -5.410 0.680 2.653) 6.064 2.999 ( 7.449 6.726 -5.800) 11.592 3.281 ( -3.464 -2.000 -5.728) 6.986 4.234 ( 5.951 -3.673 4.079) 8.096 4.509 ( 1.418 6.910 -0.388) 7.065 5.047 ( -6.950 -3.860 -4.812) 9.293 6.172 ( -13.656 -1.401 5.999) 14.981 6.616 ( -2.994 -7.885 -4.825) 9.717 7.020 ( -2.658 -3.767 10.645) 11.601 7.592 ( 2.812 -1.447 -0.698) 3.238 7.887 ( -0.377 3.494 -10.254) 10.839 7.934 ( 5.933 3.738 1.457) 7.162 8.200 ( 7.750 4.873 5.450) 10.654 13.153 ( 11.959 4.484 20.323) 24.003 13.468 ( -6.638 2.040 -10.073) 12.235 14.750 ( 4.906 1.878 7.960) 9.537 15.617 ( 0.972 0.901 0.811) 1.554 16.637 ( -2.012 -1.498 -4.272) 4.955 17.245 ( -8.337 -6.478 -5.660) 11.980 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 10.967 6.631 -2.920) 13.144 1.271 ( -4.707 -8.857 -5.843) 11.608 1.435 ( -5.398 1.468 -7.750) 9.557 2.040 ( 1.354 -1.655 4.648) 5.116 2.528 ( -2.243 -1.689 6.707) 7.271 2.764 ( -3.633 2.332 3.889) 5.810 3.112 ( 3.529 -2.861 -4.987) 6.746 3.222 ( 3.695 4.950 -8.015) 10.120 4.315 ( 4.282 -1.801 2.296) 5.181 4.566 ( -2.141 3.921 0.502) 4.495 4.889 ( -2.674 -3.190 -5.109) 6.590 5.997 ( -11.054 1.501 6.090) 12.709 6.471 ( -1.061 -7.867 -4.934) 9.347 7.009 ( -2.499 -2.656 10.704) 11.308 7.573 ( -1.692 -1.202 -4.209) 4.693 7.832 ( -1.622 2.005 -8.888) 9.255 8.074 ( 6.737 -1.538 3.092) 7.570 8.420 ( 5.949 7.059 8.341) 12.442 13.181 ( -11.438 -4.751 -21.159) 24.518 13.572 ( 13.071 9.275 21.532) 26.842 14.983 ( 8.879 3.407 15.118) 17.861 15.566 ( -8.249 -4.948 9.869) 13.781 16.588 ( 0.186 0.273 -5.268) 5.279 17.032 ( -3.750 -3.223 -13.992) 14.840 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -5.168 -11.351 -6.159) 13.910 1.084 ( 13.203 6.013 -8.574) 16.852 1.303 ( -7.569 4.248 -10.167) 13.368 2.048 ( 0.290 -3.822 4.333) 5.785 2.506 ( -3.831 -1.267 8.990) 9.854 2.769 ( -1.965 4.768 2.250) 5.626 3.090 ( 3.275 -3.650 -4.792) 6.857 3.306 ( 3.920 1.854 -5.905) 7.327 4.375 ( 2.509 1.409 -0.389) 2.903 4.516 ( -2.838 -1.917 -1.070) 3.589 4.846 ( 0.379 1.178 -2.803) 3.064 5.893 ( -8.186 3.107 5.263) 10.216 6.379 ( 1.587 -6.007 -3.469) 7.116 7.010 ( -1.794 -2.532 10.560) 11.006 7.472 ( -4.402 -0.917 -7.052) 8.364 7.778 ( -0.735 0.216 -5.441) 5.494 8.159 ( 3.032 -2.484 3.729) 5.410 8.628 ( 4.738 5.815 7.879) 10.879 12.783 ( -12.626 -5.519 -22.097) 26.041 14.013 ( 10.733 8.357 23.861) 27.466 15.238 ( 4.128 3.217 13.776) 14.737 15.398 ( -8.228 -9.153 14.683) 19.159 16.567 ( 0.102 0.844 -6.488) 6.544 16.896 ( 1.411 0.368 -19.226) 19.281 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -5.976 -9.509 16.185) 19.699 1.188 ( 8.992 -3.460 16.219) 18.865 1.653 ( -1.451 4.532 10.080) 11.147 2.015 ( -4.342 5.621 -7.013) 9.981 2.198 ( 1.802 7.414 -11.319) 13.651 2.925 ( -0.226 -5.046 -6.944) 8.587 3.051 ( 0.896 -8.110 7.985) 11.417 3.328 ( 0.152 3.050 3.379) 4.555 4.127 ( -2.354 -2.172 -0.312) 3.218 4.327 ( 1.873 7.991 -1.877) 8.419 5.368 ( 0.536 -6.447 -1.633) 6.673 6.652 ( 1.118 -8.861 1.946) 9.141 6.913 ( -0.533 -14.534 0.353) 14.548 7.257 ( -10.718 3.615 2.321) 11.547 7.331 ( 7.762 1.541 6.939) 10.525 7.622 ( 1.893 -1.209 -2.890) 3.660 7.694 ( 1.127 3.695 -0.329) 3.877 7.954 ( -1.058 17.964 -6.957) 19.293 12.732 ( -0.461 -12.488 21.389) 24.772 13.320 ( 0.972 20.679 18.817) 27.976 14.956 ( 1.181 1.174 -14.832) 14.926 15.196 ( -1.030 8.388 -13.373) 15.820 16.799 ( -0.021 -3.608 -2.330) 4.295 17.740 ( -0.445 -12.829 3.044) 13.192 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -9.392 -7.737 18.803) 22.396 1.407 ( 6.944 -2.704 7.779) 10.772 1.663 ( -0.322 -6.140 1.603) 6.354 1.925 ( -6.577 8.604 -2.976) 11.231 2.334 ( 7.974 6.916 -6.138) 12.211 2.858 ( 0.574 0.124 -5.062) 5.096 2.994 ( -3.419 -6.543 8.099) 10.958 3.351 ( 0.108 -2.667 -1.630) 3.127 4.095 ( 0.655 -0.522 1.799) 1.985 4.438 ( 2.335 8.590 -1.947) 9.112 5.258 ( -3.558 -7.668 -2.376) 8.781 6.553 ( -5.247 -7.472 4.827) 10.328 6.726 ( -3.201 -13.695 -2.193) 14.234 7.158 ( -7.858 2.184 6.521) 10.442 7.441 ( 4.007 -1.230 2.445) 4.852 7.661 ( 6.353 -3.700 -1.883) 7.589 7.877 ( 9.401 8.680 2.184) 12.980 8.043 ( -3.448 17.142 -8.709) 19.534 12.790 ( 6.387 -10.783 20.994) 24.450 13.628 ( -1.371 19.998 9.004) 21.975 14.822 ( -7.592 5.890 -8.462) 12.803 15.328 ( 12.092 7.793 -12.337) 18.951 16.725 ( -1.973 -4.936 -1.956) 5.664 17.546 ( -6.776 -15.894 3.138) 17.561 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -5.523 -2.492 15.757) 16.882 1.394 ( -2.352 -6.846 -6.291) 9.590 1.571 ( -1.397 -7.680 -2.135) 8.093 1.974 ( 1.239 7.447 4.260) 8.668 2.487 ( 4.458 3.585 2.544) 6.261 2.859 ( 0.286 1.053 -5.145) 5.259 2.957 ( 0.237 -0.464 5.359) 5.385 3.252 ( -2.472 -5.912 -7.231) 9.662 4.162 ( 3.810 1.111 4.572) 6.054 4.545 ( 2.083 7.709 -1.757) 8.176 5.080 ( -6.017 -7.799 -3.109) 10.330 6.399 ( -9.838 -3.457 6.356) 12.212 6.527 ( -2.397 -12.161 -4.971) 13.355 7.098 ( -4.876 -1.810 8.688) 10.126 7.513 ( 4.718 -1.054 -0.588) 4.870 7.723 ( 6.491 -4.608 -1.078) 8.032 8.074 ( -4.924 15.027 -8.076) 17.756 8.150 ( 9.494 8.111 5.025) 13.461 12.987 ( 13.378 -9.227 18.915) 24.937 13.684 ( -11.363 13.682 -9.954) 20.381 14.832 ( -0.487 11.391 8.671) 14.324 15.534 ( 9.817 6.124 -7.898) 14.009 16.625 ( -2.318 -4.746 -1.941) 5.627 17.265 ( -8.423 -15.234 -0.455) 17.414 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.517 2.559 6.375) 7.035 1.190 ( -3.338 -12.403 -8.866) 15.607 1.467 ( -2.793 -1.173 -5.505) 6.284 2.082 ( -0.428 4.616 5.079) 6.877 2.577 ( 0.466 0.968 6.312) 6.403 2.835 ( -0.976 -0.952 1.847) 2.296 2.990 ( 1.892 -3.821 -5.525) 6.979 3.149 ( 2.172 0.655 -6.781) 7.150 4.269 ( 3.348 2.813 2.361) 4.969 4.632 ( 0.294 4.903 -0.048) 4.912 4.887 ( -4.987 -5.977 -2.842) 8.287 6.242 ( -10.805 -0.368 6.930) 12.841 6.355 ( -0.597 -10.324 -6.129) 12.021 7.054 ( -2.333 -4.859 7.297) 9.072 7.553 ( 1.243 -0.125 -1.986) 2.346 7.765 ( 4.087 -4.277 -1.847) 6.197 8.094 ( -2.963 11.133 -3.774) 12.123 8.410 ( 8.284 6.264 6.614) 12.312 13.163 ( 0.839 -5.061 -5.212) 7.313 13.573 ( 1.300 5.217 4.475) 6.995 15.070 ( 2.738 13.976 15.626) 21.142 15.649 ( 0.916 1.022 1.048) 1.727 16.549 ( -0.146 -2.259 -3.325) 4.022 16.975 ( -6.322 -11.849 -8.136) 15.703 ======================= Grid point 417 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 6.061 1.086 -4.835) 7.829 0.979 ( -1.579 -7.396 -4.125) 8.615 1.380 ( -3.849 2.517 -8.144) 9.353 2.091 ( -4.196 0.596 3.244) 5.337 2.608 ( -2.447 0.679 7.793) 8.196 2.816 ( 0.001 -2.288 -0.976) 2.488 2.951 ( 4.121 -3.277 -4.247) 6.764 3.205 ( 4.422 0.523 -4.164) 6.097 4.352 ( 2.293 5.222 -3.519) 6.702 4.583 ( -6.508 -2.550 1.437) 7.136 4.839 ( 1.705 1.753 -0.225) 2.456 6.112 ( -9.329 0.580 6.895) 11.615 6.243 ( 2.142 -7.049 -5.759) 9.351 7.007 ( -0.326 -7.811 5.292) 9.441 7.530 ( -3.256 2.438 -2.883) 4.985 7.754 ( 0.457 -2.108 -2.816) 3.547 8.146 ( 0.171 4.891 1.249) 5.051 8.627 ( 6.413 3.790 6.403) 9.823 12.874 ( -15.265 1.122 -21.539) 26.424 13.904 ( 19.571 -2.826 21.958) 29.549 15.337 ( 1.889 12.684 14.065) 19.034 15.582 ( -9.572 -6.067 10.617) 15.529 16.530 ( 0.662 0.108 -5.161) 5.204 16.746 ( -0.260 -5.370 -17.020) 17.849 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 12.486 -5.186 16.961) 21.690 1.238 ( -8.216 -8.376 13.481) 17.872 1.657 ( 2.567 -3.926 -4.128) 6.248 2.094 ( 4.191 13.936 0.795) 14.574 2.329 ( -12.848 7.048 -9.612) 17.526 2.806 ( 2.706 -4.714 -5.500) 7.733 2.983 ( 3.536 -6.524 8.517) 11.296 3.344 ( -0.066 -2.647 -0.895) 2.795 4.200 ( -4.967 2.290 2.991) 6.234 4.360 ( 1.214 7.102 -3.366) 7.952 5.238 ( 4.012 -8.783 -1.413) 9.759 6.480 ( 7.896 -12.113 4.186) 15.053 6.793 ( 0.819 -8.170 -2.114) 8.479 7.232 ( 7.423 -1.712 8.222) 11.208 7.490 ( -7.147 8.608 -2.206) 11.404 7.681 ( -7.610 -0.157 1.838) 7.831 7.695 ( -1.509 -0.436 -1.761) 2.359 8.102 ( -0.257 16.695 -5.630) 17.621 12.806 ( -7.091 -10.724 21.532) 25.078 13.579 ( 3.360 17.717 8.425) 19.904 14.809 ( 6.858 5.611 -6.856) 11.204 15.343 ( -11.492 8.237 -12.437) 18.831 16.727 ( 1.854 -4.685 -2.144) 5.476 17.565 ( 6.066 -14.643 2.202) 16.002 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -6.094 -6.416 16.063) 18.339 1.259 ( 9.764 -6.612 12.128) 16.915 1.569 ( -0.472 -10.282 -7.947) 13.004 2.139 ( -9.721 6.362 -7.231) 13.684 2.320 ( 3.814 15.802 0.846) 16.278 2.791 ( 2.630 -1.541 -4.542) 5.470 2.999 ( 0.525 -7.414 9.118) 11.763 3.291 ( -0.122 -5.905 -3.356) 6.793 4.146 ( -3.593 1.877 2.824) 4.940 4.471 ( 2.427 9.652 -3.256) 10.471 5.175 ( 0.859 -10.828 -0.977) 10.906 6.500 ( 4.175 -10.573 5.945) 12.828 6.642 ( -4.192 -11.486 -2.981) 12.585 7.314 ( 2.267 -1.307 2.995) 3.978 7.464 ( -9.857 3.161 5.696) 11.815 7.557 ( 0.974 -0.793 -2.577) 2.867 7.821 ( 7.991 8.066 0.468) 11.364 8.212 ( -1.999 16.590 -7.297) 18.234 12.747 ( -0.630 -12.300 21.666) 24.922 13.862 ( 2.408 19.317 -0.951) 19.490 14.957 ( 0.812 11.739 -1.956) 11.928 15.209 ( -1.356 9.118 -13.233) 16.127 16.677 ( -0.089 -6.217 -0.977) 6.294 17.454 ( -0.779 -19.677 3.494) 20.000 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -6.648 -4.446 16.645) 18.467 1.296 ( -2.256 -10.347 -10.048) 14.598 1.452 ( 4.854 -10.103 4.026) 11.910 2.075 ( -2.065 6.846 -0.873) 7.204 2.523 ( 1.734 12.682 2.158) 12.981 2.797 ( 2.437 -0.290 -6.333) 6.792 2.988 ( -0.789 -4.381 8.454) 9.554 3.176 ( -1.583 -7.820 -6.031) 10.002 4.173 ( 1.112 2.753 5.069) 5.874 4.573 ( 1.642 8.427 -4.091) 9.510 5.048 ( -2.291 -10.719 -0.974) 11.004 6.422 ( -4.370 -12.288 -4.972) 13.958 6.486 ( -0.584 -6.630 7.031) 9.681 7.282 ( -11.695 -0.350 7.102) 13.687 7.407 ( 5.784 -0.661 -1.271) 5.958 7.602 ( 3.783 -1.186 0.052) 3.964 8.070 ( 10.033 8.137 1.324) 12.985 8.270 ( -4.198 14.906 -6.815) 16.919 12.816 ( 7.548 -11.694 20.651) 24.903 13.928 ( -8.997 14.753 -17.095) 24.307 15.064 ( -2.961 16.585 9.518) 19.350 15.350 ( 11.877 8.921 -11.108) 18.548 16.598 ( -1.467 -6.182 0.078) 6.354 17.216 ( -5.416 -20.682 2.817) 21.565 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -4.571 -1.594 13.384) 14.232 1.054 ( -3.047 -11.727 -10.623) 16.113 1.438 ( 0.582 -4.699 -1.249) 4.897 2.158 ( 1.765 5.082 3.567) 6.455 2.637 ( -1.171 6.431 2.871) 7.140 2.790 ( 2.451 -2.222 -4.251) 5.386 2.929 ( -3.544 -6.750 -2.741) 8.102 3.103 ( 1.700 0.586 -0.201) 1.809 4.274 ( 2.707 3.607 4.230) 6.183 4.650 ( 1.958 5.684 -3.642) 7.029 4.892 ( -4.046 -8.094 -0.011) 9.049 6.209 ( -2.158 -12.234 -5.997) 13.794 6.432 ( -5.410 -2.116 6.594) 8.788 7.119 ( -7.511 -4.662 3.248) 9.419 7.506 ( 4.249 1.285 0.846) 4.519 7.652 ( 3.883 -2.232 0.752) 4.542 8.252 ( -2.686 11.823 -6.173) 13.605 8.353 ( 7.150 6.105 3.301) 9.965 12.996 ( 11.274 -9.408 14.440) 20.594 13.714 ( -12.985 8.876 -18.093) 23.974 15.300 ( 0.603 17.617 13.657) 22.298 15.565 ( 9.782 6.322 -7.535) 13.872 16.519 ( -1.309 -4.344 0.289) 4.546 16.917 ( -7.204 -18.216 -0.739) 19.603 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -3.319 -3.070 -0.960) 4.622 0.913 ( 1.141 -1.960 1.900) 2.958 1.387 ( -0.766 -0.966 -4.726) 4.884 2.209 ( -3.847 2.872 2.757) 5.536 2.660 ( 1.017 -0.727 -2.414) 2.719 2.770 ( -3.315 -3.573 3.832) 6.200 2.836 ( 4.600 -1.192 -4.820) 6.769 3.154 ( 1.307 0.991 0.357) 1.678 4.359 ( 1.194 5.162 -1.878) 5.622 4.666 ( -3.334 -1.636 1.463) 3.991 4.818 ( 1.625 0.751 0.122) 1.794 6.051 ( 1.477 -10.873 -5.490) 12.270 6.345 ( -8.103 0.925 5.541) 9.860 6.978 ( -3.519 -7.406 0.905) 8.249 7.567 ( 0.715 1.877 0.210) 2.019 7.694 ( 2.387 -2.113 1.184) 3.401 8.258 ( -4.251 9.623 -3.236) 11.007 8.556 ( 8.356 1.332 3.833) 9.289 13.019 ( -8.844 2.559 -12.317) 15.377 13.664 ( 11.566 -4.518 10.122) 16.020 15.537 ( -0.054 12.892 10.316) 16.511 15.675 ( 0.485 0.189 0.883) 1.025 16.489 ( 1.135 -0.325 -1.956) 2.285 16.632 ( -5.294 -11.019 -6.555) 13.871 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 8.297 -2.920 14.336) 16.820 1.353 ( -5.215 -6.065 5.534) 9.727 1.514 ( 2.575 -6.785 -7.437) 10.391 2.132 ( 4.940 10.239 -1.346) 11.448 2.556 ( -6.626 6.480 -0.948) 9.317 2.713 ( -1.702 -5.164 -2.825) 6.127 2.929 ( 0.830 -3.240 4.824) 5.870 3.272 ( 2.027 -3.841 -4.665) 6.373 4.354 ( -4.591 5.234 6.225) 9.339 4.382 ( -0.174 4.141 -4.768) 6.317 5.067 ( 4.732 -7.938 -1.722) 9.401 6.238 ( 9.073 -11.749 5.018) 15.670 6.683 ( 3.308 -3.720 -3.947) 6.353 7.149 ( 5.198 -3.667 9.019) 11.037 7.627 ( -2.983 5.550 -4.201) 7.573 7.658 ( -1.715 -2.928 -6.690) 7.501 7.924 ( -10.859 5.039 7.331) 14.038 8.221 ( -0.044 11.995 -2.198) 12.195 13.015 ( -13.573 -9.713 19.946) 26.008 13.588 ( 11.149 10.625 -8.664) 17.671 14.847 ( -0.142 12.547 8.906) 15.387 15.534 ( -8.946 5.615 -7.683) 13.061 16.631 ( 2.248 -4.168 -2.442) 5.328 17.296 ( 8.625 -13.696 -2.052) 16.314 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 10.706 -5.018 14.148) 18.438 1.221 ( -5.560 -7.105 5.570) 10.602 1.408 ( 0.114 -10.447 -7.158) 12.665 2.234 ( -1.929 4.606 -8.169) 9.575 2.502 ( -3.865 13.361 1.703) 14.012 2.709 ( 2.803 -1.277 -0.175) 3.085 2.950 ( 2.677 -6.347 7.065) 9.867 3.212 ( -0.446 -5.451 -4.728) 7.230 4.256 ( -5.454 0.495 1.206) 5.608 4.515 ( 2.013 10.659 -1.791) 10.994 5.031 ( 2.497 -10.924 0.255) 11.209 6.314 ( 8.692 -10.223 6.082) 14.733 6.595 ( -3.526 -8.436 -4.053) 10.001 7.221 ( 4.830 -5.596 3.982) 8.396 7.546 ( -1.463 2.525 -5.096) 5.872 7.704 ( -2.434 0.680 0.958) 2.703 7.834 ( -5.551 9.045 5.258) 11.843 8.340 ( 0.333 14.134 -5.502) 15.171 12.838 ( -8.473 -11.910 21.435) 25.944 13.850 ( 12.094 13.820 -14.763) 23.562 15.070 ( 1.734 16.735 9.446) 19.295 15.364 ( -11.043 8.871 -11.405) 18.185 16.602 ( 1.196 -5.807 -0.455) 5.946 17.237 ( 4.412 -20.220 1.305) 20.737 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -4.208 -7.797 1.696) 9.021 1.177 ( 2.138 -6.331 0.151) 6.684 1.292 ( 3.310 -10.557 8.160) 13.747 2.153 ( -3.405 3.044 -5.186) 6.911 2.659 ( 2.262 13.490 -1.143) 13.726 2.728 ( -0.041 0.398 -0.436) 0.591 2.987 ( 2.545 -4.647 8.886) 10.346 3.097 ( -2.366 -6.280 -5.063) 8.406 4.220 ( -1.035 1.232 3.308) 3.678 4.615 ( 0.405 9.036 -4.677) 10.182 4.947 ( 0.608 -11.749 1.323) 11.839 6.367 ( -3.685 -11.025 -1.171) 11.684 6.411 ( 3.476 -6.815 2.944) 8.197 7.281 ( 5.822 -2.557 -2.020) 6.672 7.495 ( -6.173 -3.856 4.182) 8.394 7.610 ( -5.505 3.824 2.749) 7.245 7.995 ( 7.777 8.788 -0.539) 11.747 8.424 ( -2.190 13.184 -6.669) 14.936 12.766 ( -0.857 -12.440 21.907) 25.207 14.022 ( 2.288 15.027 -23.252) 27.779 15.231 ( 0.504 9.328 -13.146) 16.127 15.352 ( -1.141 17.076 11.857) 20.820 16.555 ( -0.108 -5.721 1.136) 5.834 17.073 ( -0.475 -22.360 3.971) 22.715 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.628 -6.094 -6.815) 9.164 1.090 ( -7.145 -4.075 11.417) 14.072 1.338 ( 4.568 -8.102 3.967) 10.112 2.159 ( 2.675 2.661 -0.927) 3.885 2.686 ( 0.983 -2.916 -5.631) 6.417 2.777 ( -3.250 6.315 -0.907) 7.159 2.954 ( -5.242 -0.809 1.551) 5.526 3.075 ( 3.776 -0.055 4.039) 5.530 4.280 ( 2.939 1.450 5.318) 6.247 4.652 ( 0.108 5.467 -7.420) 9.217 4.855 ( -0.539 -8.589 3.102) 9.148 6.124 ( -5.677 -10.871 -5.945) 13.629 6.463 ( 2.270 -4.146 6.279) 7.860 7.221 ( -7.478 -4.652 -4.368) 9.831 7.460 ( 3.137 -0.961 6.758) 7.512 7.621 ( 0.122 2.271 2.113) 3.105 8.215 ( 9.343 5.750 -0.553) 10.985 8.446 ( -4.159 10.791 -6.616) 13.323 12.829 ( 7.145 -11.957 20.201) 24.538 13.916 ( -11.909 13.061 -25.711) 31.201 15.355 ( 11.078 10.155 -12.298) 19.419 15.559 ( -0.317 12.059 8.917) 15.001 16.506 ( -0.970 -4.038 2.174) 4.687 16.849 ( -4.610 -19.427 6.384) 20.962 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.616 3.462 -2.080) 4.085 1.003 ( -6.652 -3.614 11.557) 13.815 1.333 ( 1.872 -4.905 -0.213) 5.255 2.247 ( 3.673 1.316 1.221) 4.088 2.620 ( -2.444 -3.067 -5.512) 6.765 2.708 ( 1.161 -3.113 -5.888) 6.760 2.921 ( -6.176 5.939 6.510) 10.761 3.153 ( 1.367 0.906 2.149) 2.704 4.376 ( 2.018 2.826 2.222) 4.123 4.656 ( 1.980 -0.259 -3.646) 4.157 4.815 ( -0.222 -1.420 2.891) 3.229 5.918 ( -2.114 -9.553 -5.559) 11.253 6.469 ( -2.440 -1.609 5.138) 5.911 6.999 ( -7.774 -6.349 -3.685) 10.692 7.544 ( 3.097 -0.784 2.318) 3.947 7.677 ( 1.440 2.039 4.067) 4.772 8.393 ( 1.877 7.831 -3.245) 8.682 8.438 ( 2.296 1.934 -2.161) 3.699 12.985 ( 8.737 -7.602 12.140) 16.778 13.664 ( -11.072 7.476 -15.748) 20.652 15.572 ( 10.177 4.818 -9.928) 15.012 15.664 ( 0.062 4.373 0.609) 4.416 16.478 ( -0.644 -1.145 2.329) 2.674 16.645 ( -6.801 -9.185 8.707) 14.367 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -2.331 2.080 5.236) 6.097 1.310 ( 1.291 -5.936 -9.646) 11.400 1.382 ( 3.502 -4.805 -1.846) 6.226 2.141 ( 3.148 6.708 0.927) 7.468 2.594 ( 3.062 -0.647 4.148) 5.196 2.729 ( -1.875 -5.484 3.798) 6.929 2.999 ( -9.484 1.495 -3.907) 10.366 3.174 ( 2.497 -0.560 -5.574) 6.133 4.382 ( 1.168 4.128 -5.240) 6.772 4.511 ( -3.622 2.139 7.569) 8.659 4.913 ( 4.123 -4.153 -3.366) 6.751 6.021 ( 6.841 -10.316 5.399) 13.505 6.563 ( 4.776 -0.675 -4.845) 6.837 7.090 ( 2.671 -5.951 9.269) 11.334 7.581 ( 2.768 -0.883 -4.936) 5.728 7.699 ( -4.443 0.915 -7.305) 8.599 8.175 ( -3.121 10.704 4.160) 11.901 8.339 ( -5.737 3.269 4.715) 8.114 13.145 ( 2.953 -6.080 -9.293) 11.491 13.524 ( -5.946 3.221 12.285) 14.023 15.102 ( -2.788 15.604 14.888) 21.746 15.639 ( -1.565 0.762 0.745) 1.893 16.553 ( 0.770 -2.292 -3.624) 4.356 16.999 ( 7.036 -10.871 -9.695) 16.176 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 6.912 -2.726 10.168) 12.593 1.156 ( -1.141 -9.465 -13.807) 16.779 1.370 ( -1.414 -4.201 5.775) 7.280 2.239 ( 1.015 4.622 -5.207) 7.036 2.636 ( -1.544 -1.747 2.100) 3.138 2.697 ( 1.299 3.962 5.042) 6.543 2.892 ( -0.453 -4.162 0.671) 4.240 3.158 ( -0.328 -0.590 -4.447) 4.498 4.335 ( -3.823 -0.033 -2.090) 4.358 4.593 ( 0.565 8.566 2.097) 8.837 4.897 ( 2.078 -7.609 -0.351) 7.895 6.101 ( 9.318 -8.327 5.849) 13.798 6.537 ( -1.137 -5.743 -5.004) 7.701 7.107 ( 3.508 -7.849 4.237) 9.584 7.563 ( -1.002 1.512 -4.902) 5.227 7.680 ( 2.405 2.761 -2.466) 4.415 8.130 ( -12.145 5.169 7.179) 15.025 8.413 ( 2.410 10.600 -3.056) 11.292 13.018 ( -9.462 -9.262 13.893) 19.192 13.639 ( 11.599 8.299 -11.686) 18.439 15.325 ( -2.081 17.937 12.335) 21.868 15.553 ( -8.367 5.729 -7.365) 12.533 16.527 ( 1.283 -3.896 -0.752) 4.171 16.939 ( 7.083 -18.067 -3.121) 19.655 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -1.556 -8.260 -9.329) 12.557 1.029 ( 9.241 -5.420 7.085) 12.844 1.325 ( -4.568 -4.014 9.868) 11.592 2.186 ( -3.209 -0.194 -6.190) 6.975 2.653 ( 0.832 2.227 -2.474) 3.431 2.810 ( 1.674 6.221 3.800) 7.480 2.898 ( 5.354 -6.231 4.826) 9.528 3.106 ( -3.132 1.233 -1.681) 3.762 4.274 ( -2.829 0.777 1.225) 3.179 4.669 ( -0.293 5.825 -3.695) 6.904 4.842 ( 0.601 -8.192 2.575) 8.608 6.235 ( 9.468 -5.781 6.766) 12.994 6.362 ( -6.141 -8.853 -5.998) 12.332 7.133 ( 5.931 -4.749 -1.207) 7.693 7.533 ( -1.981 -0.274 -0.280) 2.019 7.730 ( 0.008 0.135 1.940) 1.944 8.047 ( -5.464 7.197 1.753) 9.205 8.521 ( 0.365 10.793 -5.613) 12.171 12.859 ( -8.250 -11.989 21.198) 25.713 13.878 ( 13.298 14.023 -22.317) 29.522 15.334 ( -9.837 9.084 -12.279) 18.168 15.581 ( -0.716 12.081 7.712) 14.350 16.509 ( 0.761 -3.621 1.475) 3.983 16.853 ( 4.406 -19.584 4.795) 20.638 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.680 2.070 -3.585) 4.195 1.154 ( 7.062 -8.188 6.873) 12.812 1.258 ( -5.445 -4.915 11.415) 13.569 2.124 ( 0.814 -0.222 -4.395) 4.475 2.630 ( -0.792 -1.116 -4.961) 5.147 2.831 ( -2.667 -1.956 -3.052) 4.501 3.016 ( 6.339 -0.099 6.049) 8.763 3.101 ( -3.177 7.941 4.377) 9.608 4.282 ( 0.885 1.133 4.273) 4.508 4.642 ( -0.721 -1.514 -6.580) 6.790 4.815 ( 0.039 -2.602 3.688) 4.514 6.109 ( -7.768 -8.929 -6.193) 13.358 6.373 ( 7.130 -3.904 5.832) 10.004 7.173 ( 3.657 -2.652 -7.145) 8.453 7.476 ( -2.795 -4.235 6.021) 7.874 7.709 ( -3.723 1.392 4.791) 6.225 8.125 ( 5.554 5.830 -2.403) 8.403 8.562 ( -2.552 9.368 -7.309) 12.153 12.781 ( -1.231 -12.995 22.034) 25.610 14.013 ( 0.201 15.982 -26.624) 31.053 15.249 ( 1.063 8.847 -13.690) 16.334 15.671 ( -0.240 1.909 -0.838) 2.099 16.504 ( -0.215 -1.570 3.860) 4.172 16.779 ( 0.203 -13.597 13.209) 18.957 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.466 11.649 3.519) 12.178 1.148 ( -6.397 -5.623 11.209) 14.078 1.225 ( 4.167 -8.265 5.058) 10.548 2.161 ( 5.687 0.139 -2.670) 6.284 2.571 ( 0.182 -2.018 -6.157) 6.482 2.701 ( -5.849 -3.008 -3.862) 7.627 3.107 ( -0.587 1.082 6.550) 6.664 3.174 ( -1.927 7.596 2.950) 8.373 4.368 ( 3.556 1.290 5.538) 6.707 4.583 ( 1.311 -1.770 -6.562) 6.922 4.822 ( 0.230 -1.011 4.054) 4.185 5.873 ( -5.817 -7.169 -5.196) 10.595 6.462 ( 3.397 -2.613 4.288) 6.063 7.049 ( -7.323 -4.526 -8.761) 12.282 7.491 ( 3.368 -2.760 5.667) 7.147 7.722 ( -0.459 2.122 5.549) 5.959 8.268 ( 7.763 0.768 -2.119) 8.084 8.540 ( -4.250 8.225 -7.778) 12.091 12.832 ( 6.842 -12.377 20.169) 24.633 13.880 ( -13.016 13.601 -23.647) 30.225 15.363 ( 9.939 5.218 -13.717) 17.725 15.613 ( 1.672 -6.045 -9.451) 11.343 16.512 ( -1.225 -0.309 5.342) 5.489 16.761 ( -3.631 -3.032 17.661) 18.284 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.000 0.000 13.553) 13.553 1.230 ( -0.000 0.000 13.553) 13.553 1.682 ( -0.000 0.000 16.447) 16.447 1.984 ( 0.000 -0.000 -10.111) 10.111 1.984 ( 0.000 -0.000 -10.111) 10.111 2.923 ( 0.000 -0.000 -9.573) 9.573 3.255 ( -0.000 0.000 6.749) 6.749 3.255 ( -0.000 0.000 6.749) 6.749 4.187 ( 0.000 -0.000 -2.047) 2.047 4.187 ( 0.000 -0.000 -2.047) 2.047 5.427 ( 0.000 -0.000 -1.183) 1.183 6.732 ( 0.000 -0.000 -1.062) 1.062 7.187 ( -0.000 0.000 1.260) 1.260 7.187 ( -0.000 0.000 1.260) 1.260 7.313 ( -0.000 0.000 6.187) 6.187 7.600 ( 0.000 -0.000 -2.337) 2.337 7.691 ( 0.000 -0.000 -2.574) 2.574 7.691 ( 0.000 -0.000 -2.574) 2.574 13.110 ( -0.000 0.000 20.330) 20.330 13.110 ( -0.000 0.000 20.330) 20.330 14.940 ( 0.000 -0.000 -14.521) 14.521 14.940 ( 0.000 -0.000 -14.521) 14.521 16.822 ( 0.000 -0.000 -1.973) 1.973 17.880 ( -0.000 0.000 1.446) 1.446 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -9.856 -8.419 16.293) 20.820 1.422 ( 0.879 5.593 7.995) 9.796 1.736 ( -5.570 1.225 3.000) 6.445 1.873 ( 5.314 -6.002 -0.676) 8.045 2.134 ( 11.255 7.788 -8.983) 16.371 2.836 ( -2.637 -0.822 -6.989) 7.515 3.153 ( -6.867 -3.645 8.426) 11.464 3.363 ( 0.726 0.650 0.884) 1.315 4.143 ( 2.482 -2.865 0.753) 3.865 4.273 ( 3.367 5.596 -3.164) 7.257 5.354 ( -5.565 -2.858 -1.247) 6.379 6.664 ( -6.225 -2.447 0.706) 6.726 6.961 ( -12.638 -6.501 -0.469) 14.219 7.190 ( 2.921 -5.465 4.334) 7.562 7.452 ( 1.412 4.415 4.021) 6.136 7.686 ( 3.330 8.929 -1.498) 9.647 7.708 ( 2.964 2.714 -3.375) 5.248 7.772 ( 10.784 -0.453 -2.731) 11.134 13.084 ( -2.245 -2.459 21.794) 22.047 13.410 ( 5.301 4.819 10.093) 12.377 14.731 ( -3.799 -1.866 -8.112) 9.150 15.092 ( 13.310 7.177 -14.700) 21.089 16.778 ( -2.751 -1.590 -1.705) 3.606 17.777 ( -9.122 -5.545 1.575) 10.791 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -10.312 -6.905 17.501) 21.454 1.438 ( -2.529 -0.671 -3.915) 4.709 1.629 ( -7.729 0.745 -2.344) 8.110 1.949 ( 6.999 -3.203 2.707) 8.159 2.386 ( 12.896 6.592 -3.157) 14.823 2.766 ( -1.804 1.974 -4.318) 5.079 3.058 ( -6.309 -2.670 8.406) 10.844 3.302 ( -3.981 -2.778 -5.763) 7.535 4.207 ( 5.794 -3.189 2.781) 7.174 4.380 ( 3.620 7.630 -1.670) 8.609 5.187 ( -8.228 -4.343 -1.618) 9.443 6.489 ( -12.401 -2.383 4.070) 13.267 6.711 ( -6.566 -8.075 -4.249) 11.241 7.202 ( -0.397 -4.447 7.528) 8.753 7.535 ( 4.311 0.185 0.304) 4.326 7.719 ( -3.288 10.281 -8.867) 13.968 7.821 ( 8.085 -1.184 1.351) 8.283 8.022 ( 12.179 6.370 2.581) 13.985 13.244 ( 6.276 -0.164 22.978) 23.821 13.438 ( -6.136 1.740 -9.648) 11.566 14.739 ( 4.725 2.473 7.508) 9.209 15.326 ( 14.269 7.958 -13.065) 20.920 16.685 ( -4.207 -2.471 -1.615) 5.140 17.508 ( -14.035 -8.712 0.143) 16.519 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -6.593 -2.814 13.274) 15.086 1.325 ( -2.905 -4.055 -8.367) 9.741 1.449 ( -7.473 -3.280 -7.837) 11.315 2.060 ( 3.588 0.999 4.983) 6.221 2.595 ( 4.688 0.328 3.984) 6.161 2.783 ( 3.064 5.763 -4.228) 7.776 3.001 ( -2.718 0.333 4.748) 5.481 3.149 ( -3.466 -4.189 -8.543) 10.126 4.269 ( 3.381 -1.733 -1.053) 3.942 4.528 ( 4.501 6.107 3.585) 8.391 4.983 ( -8.222 -5.195 -2.590) 10.065 6.278 ( -13.507 -0.137 5.722) 14.670 6.518 ( -2.819 -8.833 -5.992) 11.040 7.187 ( -1.417 -4.044 7.686) 8.800 7.563 ( 0.063 -2.268 -2.689) 3.518 7.708 ( -2.552 9.074 -8.142) 12.456 7.974 ( 10.148 -2.085 1.833) 10.521 8.307 ( 9.387 8.005 6.245) 13.828 13.162 ( -10.475 -5.008 -20.822) 23.840 13.573 ( 10.523 6.329 24.828) 27.699 14.972 ( 8.752 4.396 14.648) 17.621 15.549 ( 10.289 6.265 -8.230) 14.589 16.580 ( -3.704 -2.240 -2.018) 4.776 17.151 ( -15.139 -9.280 -4.719) 18.373 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -3.312 -7.768 13.632) 16.036 1.415 ( 4.513 -2.673 6.828) 8.610 1.720 ( 3.266 -7.668 -0.886) 8.381 1.949 ( -10.604 7.787 -3.937) 13.732 2.044 ( 5.467 11.418 -2.411) 12.886 2.799 ( 0.550 -1.818 -5.702) 6.009 3.204 ( 0.213 -7.307 8.240) 11.015 3.355 ( 0.168 -1.751 -0.968) 2.008 4.136 ( -2.933 0.446 1.666) 3.403 4.272 ( 2.453 7.722 -3.885) 8.985 5.346 ( 0.222 -6.652 -0.812) 6.705 6.671 ( 0.681 -5.043 0.359) 5.102 6.928 ( 0.122 -16.772 1.093) 16.808 7.279 ( -6.288 5.428 -0.085) 8.307 7.447 ( 6.008 0.333 5.644) 8.250 7.584 ( -2.333 -0.921 -1.185) 2.774 7.693 ( 4.011 5.198 0.369) 6.576 7.841 ( -2.377 15.414 -5.575) 16.562 13.119 ( -0.674 -11.707 20.431) 23.557 13.549 ( 1.149 13.081 4.150) 13.771 14.765 ( 0.344 5.214 -4.035) 6.602 14.939 ( -0.575 9.127 -14.325) 16.995 16.767 ( 0.002 -3.494 -1.146) 3.677 17.781 ( -0.163 -11.262 1.450) 11.356 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -7.288 -7.039 15.889) 18.845 1.404 ( -1.510 -5.867 -7.540) 9.672 1.658 ( -1.828 -9.430 -2.734) 9.988 1.929 ( 1.066 7.843 4.252) 8.985 2.271 ( 8.068 12.360 -1.636) 14.851 2.764 ( 0.010 -0.108 -3.971) 3.973 3.153 ( -3.508 -5.909 8.376) 10.835 3.278 ( -2.455 -5.948 -6.068) 8.845 4.160 ( 1.747 1.594 5.018) 5.547 4.377 ( 3.368 8.332 -4.483) 10.043 5.229 ( -4.386 -7.991 -0.917) 9.161 6.591 ( -3.456 -6.298 -0.807) 7.229 6.714 ( -6.420 -13.187 1.237) 14.719 7.277 ( -4.526 4.238 6.744) 9.161 7.445 ( 2.350 -4.158 -2.265) 5.286 7.642 ( 6.114 -2.357 0.038) 6.553 7.887 ( 1.009 11.817 -5.620) 13.124 7.941 ( 6.411 13.195 1.928) 14.796 13.166 ( 5.019 -10.829 18.814) 22.281 13.599 ( -6.487 9.707 -10.674) 15.819 14.828 ( -0.678 11.897 7.970) 14.335 15.088 ( 12.933 9.719 -13.025) 20.770 16.701 ( -2.321 -4.445 -0.693) 5.062 17.586 ( -7.906 -14.845 1.272) 16.867 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -8.639 -4.590 16.309) 19.018 1.223 ( -1.926 -10.792 -11.650) 15.997 1.483 ( -5.853 -3.519 -7.291) 9.990 2.087 ( 3.080 5.409 7.687) 9.891 2.515 ( 8.117 7.639 0.483) 11.157 2.752 ( 1.422 1.337 -4.780) 5.163 3.066 ( -4.186 -7.302 0.047) 8.417 3.128 ( -3.695 -2.880 -1.266) 4.853 4.241 ( 1.280 2.284 3.188) 4.125 4.508 ( 5.734 6.629 -1.386) 8.874 5.044 ( -7.087 -7.652 -1.206) 10.499 6.420 ( -2.986 -11.962 -5.318) 13.427 6.513 ( -9.962 -2.651 4.728) 11.341 7.223 ( -4.668 -3.472 4.205) 7.178 7.498 ( 4.566 -0.616 -0.072) 4.608 7.710 ( 4.623 -2.598 -0.311) 5.312 7.944 ( -1.842 13.916 -6.525) 15.480 8.243 ( 11.201 8.094 5.263) 14.788 13.171 ( -5.750 -4.166 -8.840) 11.339 13.566 ( 5.204 1.347 8.997) 10.481 15.060 ( 3.538 13.949 13.406) 19.668 15.347 ( 13.755 9.580 -11.280) 20.204 16.603 ( -3.384 -4.141 -0.568) 5.377 17.255 ( -12.836 -15.646 -0.712) 20.251 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 9.988 -5.711 13.763) 17.939 1.370 ( -1.904 -6.647 -3.301) 7.661 1.582 ( 2.072 -8.974 1.395) 9.315 2.049 ( 0.688 8.528 -6.860) 10.966 2.248 ( -10.573 12.251 0.518) 16.190 2.738 ( 1.295 -1.787 -1.408) 2.617 3.138 ( 4.332 -7.021 8.353) 11.740 3.287 ( 1.640 -4.861 -5.341) 7.406 4.243 ( -5.570 0.910 -1.600) 5.867 4.305 ( 0.233 9.451 0.886) 9.496 5.223 ( 4.419 -8.308 -0.248) 9.413 6.548 ( 6.895 -9.120 3.310) 11.902 6.752 ( 3.102 -10.051 -2.392) 10.788 7.364 ( 5.149 -3.203 6.031) 8.553 7.399 ( -5.134 4.674 -6.308) 9.380 7.658 ( 3.154 2.843 -1.436) 4.483 7.772 ( -11.802 2.880 6.132) 13.608 8.010 ( -2.898 15.499 -4.620) 16.431 13.191 ( -6.130 -10.688 18.633) 22.338 13.557 ( 8.014 8.494 -8.766) 14.602 14.829 ( 0.389 12.092 7.857) 14.426 15.096 ( -12.714 10.009 -13.640) 21.163 16.701 ( 2.300 -4.417 -0.721) 5.032 17.592 ( 7.692 -14.473 0.624) 16.402 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -3.020 -9.945 -3.588) 10.996 1.303 ( 2.180 -5.400 3.360) 6.723 1.551 ( 2.510 -10.601 6.051) 12.462 2.021 ( -2.923 6.485 -5.469) 8.973 2.349 ( 1.027 16.637 1.694) 16.754 2.735 ( 0.197 -0.963 -0.990) 1.395 3.165 ( 0.378 -7.021 8.335) 10.905 3.199 ( -0.253 -7.105 -6.211) 9.440 4.206 ( -0.722 2.150 2.924) 3.700 4.400 ( 0.499 9.649 -3.802) 10.383 5.170 ( 0.199 -10.154 0.333) 10.161 6.550 ( -1.789 -7.985 -1.958) 8.414 6.633 ( 1.724 -13.649 3.578) 14.215 7.309 ( 2.718 -1.240 -3.800) 4.834 7.526 ( 0.990 4.001 1.295) 4.320 7.585 ( -9.663 -0.828 5.681) 11.240 7.829 ( 8.271 7.425 0.305) 11.119 8.096 ( -2.408 15.988 -5.473) 17.070 13.139 ( -0.863 -11.429 20.628) 23.599 13.649 ( 1.317 9.226 -19.613) 21.715 14.953 ( -0.086 9.701 -14.292) 17.274 15.080 ( -0.218 17.442 12.712) 21.584 16.670 ( 0.001 -5.364 0.176) 5.367 17.498 ( -0.101 -18.413 1.421) 18.468 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.181 -11.967 -12.341) 17.191 1.252 ( -6.446 -4.609 11.873) 14.274 1.487 ( -2.477 -5.760 -0.914) 6.337 2.091 ( 5.247 3.850 2.338) 6.916 2.548 ( 2.135 14.562 0.634) 14.731 2.707 ( -0.365 -1.798 -2.752) 3.308 3.034 ( -3.927 -7.169 -5.688) 9.958 3.162 ( -0.887 -4.288 6.737) 8.035 4.278 ( 1.892 2.403 6.212) 6.924 4.473 ( 2.483 7.799 -6.496) 10.449 5.047 ( -3.230 -9.373 0.588) 9.932 6.330 ( -5.186 -13.036 -5.176) 14.954 6.599 ( -0.913 -5.739 5.449) 7.966 7.287 ( -3.197 -5.344 -5.791) 8.504 7.477 ( -2.201 4.784 8.487) 9.988 7.616 ( 3.761 -1.262 1.265) 4.164 8.044 ( 4.849 10.531 -5.000) 12.626 8.199 ( 3.200 10.908 -0.464) 11.377 13.159 ( 0.513 -8.918 13.026) 15.795 13.570 ( -3.298 6.892 -16.889) 18.537 15.066 ( 10.702 10.665 -12.654) 19.708 15.342 ( 1.315 15.979 11.956) 19.999 16.604 ( -1.863 -4.943 0.735) 5.333 17.260 ( -6.933 -18.844 2.108) 20.189 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.000 0.000 7.934) 7.934 1.435 ( -0.000 0.000 7.934) 7.934 1.821 ( 0.000 -0.000 -6.739) 6.739 1.821 ( 0.000 -0.000 -6.739) 6.739 1.904 ( -0.000 0.000 7.145) 7.145 2.783 ( 0.000 -0.000 -4.833) 4.833 3.349 ( -0.000 0.000 3.037) 3.037 3.349 ( -0.000 0.000 3.037) 3.037 4.152 ( 0.000 -0.000 -1.364) 1.364 4.152 ( 0.000 -0.000 -1.364) 1.364 5.411 ( 0.000 -0.000 -0.485) 0.485 6.719 ( 0.000 -0.000 -0.399) 0.399 7.204 ( -0.000 0.000 0.533) 0.533 7.204 ( -0.000 0.000 0.533) 0.533 7.408 ( -0.000 0.000 3.748) 3.748 7.553 ( 0.000 -0.000 -2.320) 2.320 7.657 ( 0.000 -0.000 -1.002) 1.002 7.657 ( 0.000 -0.000 -1.002) 1.002 13.403 ( -0.000 0.000 9.939) 9.939 13.403 ( -0.000 0.000 9.939) 9.939 14.721 ( 0.000 -0.000 -7.797) 7.797 14.721 ( 0.000 -0.000 -7.797) 7.797 16.797 ( 0.000 -0.000 -0.717) 0.717 17.898 ( -0.000 0.000 0.518) 0.518 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -7.194 -5.120 10.540) 13.750 1.435 ( -3.890 -1.417 -6.616) 7.804 1.742 ( -6.024 -0.752 -0.299) 6.078 1.868 ( 6.349 0.305 0.039) 6.356 2.059 ( 10.688 6.753 -0.760) 12.665 2.754 ( -0.854 -0.319 -1.304) 1.591 3.288 ( -5.164 -2.799 6.043) 8.428 3.327 ( -3.538 -2.119 -4.793) 6.323 4.170 ( 2.910 -0.472 0.299) 2.963 4.219 ( 4.871 4.832 -0.575) 6.885 5.340 ( -5.684 -3.240 -0.231) 6.546 6.671 ( -4.119 -2.100 0.197) 4.628 6.948 ( -14.226 -8.163 -1.016) 16.433 7.254 ( 4.129 0.428 2.600) 4.898 7.503 ( -1.868 0.428 0.637) 2.020 7.600 ( 2.072 4.355 -3.824) 6.155 7.711 ( 6.987 -1.956 -1.241) 7.361 7.759 ( 10.318 8.875 2.873) 13.910 13.410 ( -2.898 -4.814 -7.735) 9.560 13.437 ( -0.188 3.160 13.047) 13.426 14.725 ( 4.380 2.598 7.473) 9.043 14.844 ( 11.469 6.479 -11.226) 17.307 16.760 ( -2.904 -1.676 -0.300) 3.366 17.793 ( -9.194 -5.344 0.126) 10.635 =================== 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 3/31944 10.0 23.793 23.793 39.865 0.000 -0.000 -0.000 3/31944 20.0 15.535 15.535 24.261 0.000 -0.000 -0.000 3/31944 30.0 10.210 10.210 15.440 0.000 -0.000 -0.000 3/31944 40.0 7.455 7.455 11.026 0.000 -0.000 -0.000 3/31944 50.0 5.847 5.847 8.517 0.000 -0.000 -0.000 3/31944 60.0 4.801 4.801 6.919 0.000 -0.000 -0.000 3/31944 70.0 4.071 4.071 5.819 0.000 -0.000 -0.000 3/31944 80.0 3.536 3.536 5.021 0.000 -0.000 -0.000 3/31944 90.0 3.129 3.129 4.421 0.000 -0.000 -0.000 3/31944 100.0 2.812 2.812 3.955 0.000 -0.000 -0.000 3/31944 110.0 2.560 2.560 3.586 0.000 -0.000 -0.000 3/31944 120.0 2.354 2.354 3.287 0.000 -0.000 -0.000 3/31944 130.0 2.184 2.184 3.040 0.000 -0.000 -0.000 3/31944 140.0 2.041 2.041 2.833 0.000 -0.000 -0.000 3/31944 150.0 1.919 1.919 2.658 0.000 -0.000 -0.000 3/31944 160.0 1.814 1.814 2.506 0.000 -0.000 -0.000 3/31944 170.0 1.721 1.721 2.373 0.000 -0.000 -0.000 3/31944 180.0 1.639 1.639 2.256 0.000 -0.000 -0.000 3/31944 190.0 1.566 1.566 2.152 0.000 -0.000 -0.000 3/31944 200.0 1.500 1.500 2.058 0.000 -0.000 -0.000 3/31944 210.0 1.440 1.440 1.972 0.000 -0.000 -0.000 3/31944 220.0 1.386 1.386 1.895 0.000 -0.000 -0.000 3/31944 230.0 1.335 1.335 1.823 0.000 -0.000 -0.000 3/31944 240.0 1.289 1.289 1.758 0.000 -0.000 -0.000 3/31944 250.0 1.245 1.245 1.697 0.000 -0.000 -0.000 3/31944 260.0 1.205 1.205 1.640 0.000 -0.000 -0.000 3/31944 270.0 1.167 1.167 1.587 0.000 -0.000 -0.000 3/31944 280.0 1.132 1.132 1.537 0.000 -0.000 -0.000 3/31944 290.0 1.099 1.099 1.491 0.000 -0.000 -0.000 3/31944 300.0 1.067 1.067 1.447 0.000 -0.000 -0.000 3/31944 310.0 1.038 1.038 1.406 0.000 -0.000 -0.000 3/31944 320.0 1.010 1.010 1.367 0.000 -0.000 -0.000 3/31944 330.0 0.983 0.983 1.330 0.000 -0.000 -0.000 3/31944 340.0 0.958 0.958 1.295 0.000 -0.000 -0.000 3/31944 350.0 0.934 0.934 1.262 0.000 -0.000 -0.000 3/31944 360.0 0.911 0.911 1.231 0.000 -0.000 -0.000 3/31944 370.0 0.889 0.889 1.201 0.000 -0.000 -0.000 3/31944 380.0 0.868 0.868 1.172 0.000 -0.000 -0.000 3/31944 390.0 0.849 0.849 1.145 0.000 -0.000 -0.000 3/31944 400.0 0.830 0.830 1.119 0.000 -0.000 -0.000 3/31944 410.0 0.811 0.811 1.094 0.000 -0.000 -0.000 3/31944 420.0 0.794 0.794 1.070 0.000 -0.000 -0.000 3/31944 430.0 0.777 0.777 1.047 0.000 -0.000 -0.000 3/31944 440.0 0.761 0.761 1.025 0.000 -0.000 -0.000 3/31944 450.0 0.746 0.746 1.004 0.000 -0.000 -0.000 3/31944 460.0 0.731 0.731 0.984 0.000 -0.000 -0.000 3/31944 470.0 0.717 0.717 0.964 0.000 -0.000 -0.000 3/31944 480.0 0.703 0.703 0.945 0.000 -0.000 -0.000 3/31944 490.0 0.690 0.690 0.927 0.000 -0.000 -0.000 3/31944 500.0 0.677 0.677 0.910 0.000 -0.000 -0.000 3/31944 510.0 0.665 0.665 0.893 0.000 -0.000 -0.000 3/31944 520.0 0.653 0.653 0.877 0.000 -0.000 -0.000 3/31944 530.0 0.641 0.641 0.862 0.000 -0.000 -0.000 3/31944 540.0 0.630 0.630 0.846 0.000 -0.000 -0.000 3/31944 550.0 0.619 0.619 0.832 0.000 -0.000 -0.000 3/31944 560.0 0.609 0.609 0.818 0.000 -0.000 -0.000 3/31944 570.0 0.599 0.599 0.804 0.000 -0.000 -0.000 3/31944 580.0 0.589 0.589 0.791 0.000 -0.000 -0.000 3/31944 590.0 0.580 0.580 0.778 0.000 -0.000 -0.000 3/31944 600.0 0.571 0.571 0.766 0.000 -0.000 -0.000 3/31944 610.0 0.562 0.562 0.754 0.000 -0.000 -0.000 3/31944 620.0 0.553 0.553 0.742 0.000 -0.000 -0.000 3/31944 630.0 0.545 0.545 0.731 0.000 -0.000 -0.000 3/31944 640.0 0.537 0.537 0.720 0.000 -0.000 -0.000 3/31944 650.0 0.529 0.529 0.710 0.000 -0.000 -0.000 3/31944 660.0 0.521 0.521 0.699 0.000 -0.000 -0.000 3/31944 670.0 0.514 0.514 0.689 0.000 -0.000 -0.000 3/31944 680.0 0.507 0.507 0.679 0.000 -0.000 -0.000 3/31944 690.0 0.500 0.500 0.670 0.000 -0.000 -0.000 3/31944 700.0 0.493 0.493 0.661 0.000 -0.000 -0.000 3/31944 710.0 0.486 0.486 0.652 0.000 -0.000 -0.000 3/31944 720.0 0.480 0.480 0.643 0.000 -0.000 -0.000 3/31944 730.0 0.473 0.473 0.635 0.000 -0.000 -0.000 3/31944 740.0 0.467 0.467 0.626 0.000 -0.000 -0.000 3/31944 750.0 0.461 0.461 0.618 0.000 -0.000 -0.000 3/31944 760.0 0.455 0.455 0.610 0.000 -0.000 -0.000 3/31944 770.0 0.450 0.450 0.603 0.000 -0.000 -0.000 3/31944 780.0 0.444 0.444 0.595 0.000 -0.000 -0.000 3/31944 790.0 0.439 0.439 0.588 0.000 -0.000 -0.000 3/31944 800.0 0.433 0.433 0.581 0.000 -0.000 -0.000 3/31944 810.0 0.428 0.428 0.574 0.000 -0.000 -0.000 3/31944 820.0 0.423 0.423 0.567 0.000 -0.000 -0.000 3/31944 830.0 0.418 0.418 0.560 0.000 -0.000 -0.000 3/31944 840.0 0.413 0.413 0.554 0.000 -0.000 -0.000 3/31944 850.0 0.409 0.409 0.547 0.000 -0.000 -0.000 3/31944 860.0 0.404 0.404 0.541 0.000 -0.000 -0.000 3/31944 870.0 0.400 0.400 0.535 0.000 -0.000 -0.000 3/31944 880.0 0.395 0.395 0.529 0.000 -0.000 -0.000 3/31944 890.0 0.391 0.391 0.523 0.000 -0.000 -0.000 3/31944 900.0 0.387 0.387 0.518 0.000 -0.000 -0.000 3/31944 910.0 0.383 0.383 0.512 0.000 -0.000 -0.000 3/31944 920.0 0.378 0.378 0.507 0.000 -0.000 -0.000 3/31944 930.0 0.375 0.375 0.501 0.000 -0.000 -0.000 3/31944 940.0 0.371 0.371 0.496 0.000 -0.000 -0.000 3/31944 950.0 0.367 0.367 0.491 0.000 -0.000 -0.000 3/31944 960.0 0.363 0.363 0.486 0.000 -0.000 -0.000 3/31944 970.0 0.359 0.359 0.481 0.000 -0.000 -0.000 3/31944 980.0 0.356 0.356 0.476 0.000 -0.000 -0.000 3/31944 990.0 0.352 0.352 0.472 0.000 -0.000 -0.000 3/31944 1000.0 0.349 0.349 0.467 0.000 -0.000 -0.000 3/31944 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:30:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|