----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:38:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] 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: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.943428573910503 2.276739548677286 2.309479209999998 b -3.943428573910496 2.276739548677286 2.309479209999998 c 0.000000000000004 -4.553479097354580 2.309479209999998 Atomic positions (fractional): *1 Li 0.90786798308542 0.40842003200264 0.70612391478019 6.941 2 Li 0.29387608521981 0.09213201691459 0.59157996799737 6.941 3 Li 0.59157996799737 0.29387608521981 0.09213201691458 6.941 4 Li 0.09213201691458 0.59157996799737 0.29387608521981 6.941 5 Li 0.70612391478019 0.90786798308542 0.40842003200263 6.941 6 Li 0.40842003200264 0.70612391478019 0.90786798308542 6.941 *7 O 0.67388038413055 0.06255861899048 0.77789858420048 15.999 8 O 0.22210141579952 0.32611961586945 0.93744138100952 15.999 9 O 0.93744138100952 0.22210141579952 0.32611961586945 15.999 10 O 0.32611961586945 0.93744138100952 0.22210141579952 15.999 11 O 0.77789858420048 0.67388038413055 0.06255861899048 15.999 12 O 0.06255861899048 0.77789858420048 0.67388038413055 15.999 *13 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.886857147820999 0.000000000000000 0.000000000000000 b -3.943428573910500 6.830218646031867 0.000000000000000 c 0.000000000000000 0.000000000000000 6.928437630000000 Atomic positions (fractional): *1 Li 0.23373067312933 0.96801339517589 0.67413730995608 6.941 > 1 2 Li 0.96801339517589 0.73428272204655 0.32586269004392 6.941 > 2 3 Li 0.26571727795345 0.23373067312933 0.32586269004392 6.941 > 3 4 Li 0.76626932687066 0.03198660482411 0.32586269004392 6.941 > 4 5 Li 0.03198660482411 0.26571727795345 0.67413730995608 6.941 > 5 6 Li 0.73428272204655 0.76626932687066 0.67413730995608 6.941 > 6 7 Li 0.90039733979600 0.30134672850922 0.00747064328941 6.941 > 1 8 Li 0.63468006184255 0.06761605537989 0.65919602337725 6.941 > 2 9 Li 0.93238394462011 0.56706400646267 0.65919602337725 6.941 > 3 10 Li 0.43293599353733 0.36531993815745 0.65919602337725 6.941 > 4 11 Li 0.69865327149078 0.59905061128678 0.00747064328941 6.941 > 5 12 Li 0.40094938871322 0.09960266020400 0.00747064328941 6.941 > 6 13 Li 0.56706400646267 0.63468006184255 0.34080397662275 6.941 > 1 14 Li 0.30134672850922 0.40094938871322 0.99252935671059 6.941 > 2 15 Li 0.59905061128678 0.90039733979600 0.99252935671059 6.941 > 3 16 Li 0.09960266020400 0.69865327149078 0.99252935671059 6.941 > 4 17 Li 0.36531993815745 0.93238394462011 0.34080397662275 6.941 > 5 18 Li 0.06761605537989 0.43293599353733 0.34080397662275 6.941 > 6 *19 O 0.16910118835672 0.72688061157336 0.50477919577384 15.999 > 7 20 O 0.72688061157336 0.55777942321664 0.49522080422616 15.999 > 8 21 O 0.44222057678336 0.16910118835672 0.49522080422616 15.999 > 9 22 O 0.83089881164328 0.27311938842664 0.49522080422616 15.999 > 10 23 O 0.27311938842664 0.44222057678336 0.50477919577384 15.999 > 11 24 O 0.55777942321664 0.83089881164328 0.50477919577384 15.999 > 12 25 O 0.83576785502338 0.06021394490669 0.83811252910717 15.999 > 7 26 O 0.39354727824002 0.89111275654998 0.82855413755950 15.999 > 8 27 O 0.10888724345002 0.50243452169005 0.82855413755950 15.999 > 9 28 O 0.49756547830995 0.60645272175997 0.82855413755950 15.999 > 10 29 O 0.93978605509331 0.77555391011669 0.83811252910717 15.999 > 11 30 O 0.22444608988331 0.16423214497662 0.83811252910717 15.999 > 12 31 O 0.50243452169005 0.39354727824002 0.17144586244050 15.999 > 7 32 O 0.06021394490669 0.22444608988331 0.16188747089283 15.999 > 8 33 O 0.77555391011669 0.83576785502338 0.16188747089283 15.999 > 9 34 O 0.16423214497662 0.93978605509331 0.16188747089283 15.999 > 10 35 O 0.60645272175997 0.10888724345002 0.17144586244050 15.999 > 11 36 O 0.89111275654998 0.49756547830995 0.17144586244050 15.999 > 12 *37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 13 38 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 13 39 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 13 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.886857147820999 0.000000000000000 0.000000000000000 b -3.943428573910500 6.830218646031867 0.000000000000000 c 0.000000000000000 0.000000000000000 13.856875260000001 Atomic positions (fractional): *1 Li 0.23373067312933 0.96801339517589 0.33706865497804 6.941 > 1 2 Li 0.23373067312933 0.96801339517589 0.83706865497804 6.941 > 1 3 Li 0.96801339517589 0.73428272204655 0.16293134502196 6.941 > 2 4 Li 0.96801339517589 0.73428272204655 0.66293134502196 6.941 > 2 5 Li 0.26571727795345 0.23373067312933 0.16293134502196 6.941 > 3 6 Li 0.26571727795345 0.23373067312933 0.66293134502196 6.941 > 3 7 Li 0.76626932687066 0.03198660482411 0.16293134502196 6.941 > 4 8 Li 0.76626932687066 0.03198660482411 0.66293134502196 6.941 > 4 9 Li 0.03198660482411 0.26571727795345 0.33706865497804 6.941 > 5 10 Li 0.03198660482411 0.26571727795345 0.83706865497804 6.941 > 5 11 Li 0.73428272204655 0.76626932687066 0.33706865497804 6.941 > 6 12 Li 0.73428272204655 0.76626932687066 0.83706865497804 6.941 > 6 13 Li 0.90039733979600 0.30134672850922 0.00373532164471 6.941 > 1 14 Li 0.90039733979600 0.30134672850922 0.50373532164471 6.941 > 1 15 Li 0.63468006184255 0.06761605537989 0.32959801168863 6.941 > 2 16 Li 0.63468006184255 0.06761605537989 0.82959801168863 6.941 > 2 17 Li 0.93238394462011 0.56706400646267 0.32959801168863 6.941 > 3 18 Li 0.93238394462011 0.56706400646267 0.82959801168863 6.941 > 3 19 Li 0.43293599353733 0.36531993815745 0.32959801168863 6.941 > 4 20 Li 0.43293599353733 0.36531993815745 0.82959801168863 6.941 > 4 21 Li 0.69865327149078 0.59905061128678 0.00373532164471 6.941 > 5 22 Li 0.69865327149078 0.59905061128678 0.50373532164471 6.941 > 5 23 Li 0.40094938871322 0.09960266020400 0.00373532164471 6.941 > 6 24 Li 0.40094938871322 0.09960266020400 0.50373532164471 6.941 > 6 25 Li 0.56706400646267 0.63468006184255 0.17040198831137 6.941 > 1 26 Li 0.56706400646267 0.63468006184255 0.67040198831137 6.941 > 1 27 Li 0.30134672850922 0.40094938871322 0.49626467835529 6.941 > 2 28 Li 0.30134672850922 0.40094938871322 0.99626467835529 6.941 > 2 29 Li 0.59905061128678 0.90039733979600 0.49626467835529 6.941 > 3 30 Li 0.59905061128678 0.90039733979600 0.99626467835529 6.941 > 3 31 Li 0.09960266020400 0.69865327149078 0.49626467835529 6.941 > 4 32 Li 0.09960266020400 0.69865327149078 0.99626467835529 6.941 > 4 33 Li 0.36531993815745 0.93238394462011 0.17040198831137 6.941 > 5 34 Li 0.36531993815745 0.93238394462011 0.67040198831137 6.941 > 5 35 Li 0.06761605537989 0.43293599353733 0.17040198831137 6.941 > 6 36 Li 0.06761605537989 0.43293599353733 0.67040198831137 6.941 > 6 *37 O 0.16910118835672 0.72688061157336 0.25238959788692 15.999 > 7 38 O 0.16910118835672 0.72688061157336 0.75238959788692 15.999 > 7 39 O 0.72688061157336 0.55777942321664 0.24761040211308 15.999 > 8 40 O 0.72688061157336 0.55777942321664 0.74761040211308 15.999 > 8 41 O 0.44222057678336 0.16910118835672 0.24761040211308 15.999 > 9 42 O 0.44222057678336 0.16910118835672 0.74761040211308 15.999 > 9 43 O 0.83089881164328 0.27311938842664 0.24761040211308 15.999 > 10 44 O 0.83089881164328 0.27311938842664 0.74761040211308 15.999 > 10 45 O 0.27311938842664 0.44222057678336 0.25238959788692 15.999 > 11 46 O 0.27311938842664 0.44222057678336 0.75238959788692 15.999 > 11 47 O 0.55777942321664 0.83089881164328 0.25238959788692 15.999 > 12 48 O 0.55777942321664 0.83089881164328 0.75238959788692 15.999 > 12 49 O 0.83576785502338 0.06021394490669 0.41905626455358 15.999 > 7 50 O 0.83576785502338 0.06021394490669 0.91905626455358 15.999 > 7 51 O 0.39354727824002 0.89111275654998 0.41427706877975 15.999 > 8 52 O 0.39354727824002 0.89111275654998 0.91427706877975 15.999 > 8 53 O 0.10888724345002 0.50243452169005 0.41427706877975 15.999 > 9 54 O 0.10888724345002 0.50243452169005 0.91427706877975 15.999 > 9 55 O 0.49756547830995 0.60645272175997 0.41427706877975 15.999 > 10 56 O 0.49756547830995 0.60645272175997 0.91427706877975 15.999 > 10 57 O 0.93978605509331 0.77555391011669 0.41905626455358 15.999 > 11 58 O 0.93978605509331 0.77555391011669 0.91905626455358 15.999 > 11 59 O 0.22444608988331 0.16423214497662 0.41905626455358 15.999 > 12 60 O 0.22444608988331 0.16423214497662 0.91905626455358 15.999 > 12 61 O 0.50243452169005 0.39354727824002 0.08572293122025 15.999 > 7 62 O 0.50243452169005 0.39354727824002 0.58572293122025 15.999 > 7 63 O 0.06021394490669 0.22444608988331 0.08094373544642 15.999 > 8 64 O 0.06021394490669 0.22444608988331 0.58094373544642 15.999 > 8 65 O 0.77555391011669 0.83576785502338 0.08094373544642 15.999 > 9 66 O 0.77555391011669 0.83576785502338 0.58094373544642 15.999 > 9 67 O 0.16423214497662 0.93978605509331 0.08094373544642 15.999 > 10 68 O 0.16423214497662 0.93978605509331 0.58094373544642 15.999 > 10 69 O 0.60645272175997 0.10888724345002 0.08572293122025 15.999 > 11 70 O 0.60645272175997 0.10888724345002 0.58572293122025 15.999 > 11 71 O 0.89111275654998 0.49756547830995 0.08572293122025 15.999 > 12 72 O 0.89111275654998 0.49756547830995 0.58572293122025 15.999 > 12 *73 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 13 74 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 13 75 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 13 76 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 13 77 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 13 78 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 13 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1331923 -0.0000017 0.0000000 0.0000017 3.1331923 0.0000000 0.0000000 0.0000000 3.1586257 -------------------------- Born effective charges -------------------------- 1 Li 1.0131003 -0.0489477 -0.2872088 -0.0653330 1.0668993 -0.1341652 -0.2892120 -0.1068475 1.0306954 2 Li 1.0039646 0.0600585 0.2597949 0.0436732 1.0760350 -0.1816475 0.2371386 -0.1970412 1.0306954 3 Li 1.1029345 0.0134671 0.0274139 -0.0029182 0.9770651 0.3158127 0.0520734 0.3038887 1.0306954 4 Li 1.0131003 -0.0489477 -0.2872088 -0.0653330 1.0668993 -0.1341652 -0.2892120 -0.1068475 1.0306954 5 Li 1.0039646 0.0600585 0.2597949 0.0436732 1.0760350 -0.1816475 0.2371386 -0.1970412 1.0306954 6 Li 1.1029345 0.0134671 0.0274139 -0.0029182 0.9770651 0.3158127 0.0520734 0.3038887 1.0306954 7 O -2.0177776 0.0587308 -0.4992718 0.0760751 -1.5942677 0.0749354 -0.4678304 0.1222802 -1.7393458 8 O -1.6417725 0.1410115 0.1847400 0.1583559 -1.9702728 -0.4698498 0.1280174 -0.4662931 -1.7393458 9 O -1.7585178 -0.2257588 0.3145318 -0.2084145 -1.8535275 0.3949144 0.3398130 0.3440129 -1.7393458 10 O -2.0177776 0.0587308 -0.4992718 0.0760751 -1.5942677 0.0749354 -0.4678304 0.1222802 -1.7393458 11 O -1.6417725 0.1410115 0.1847400 0.1583559 -1.9702728 -0.4698498 0.1280174 -0.4662931 -1.7393458 12 O -1.7585178 -0.2257588 0.3145318 -0.2084145 -1.8535275 0.3949144 0.3398130 0.3440129 -1.7393458 13 Te 4.5961369 0.0028772 0.0000000 -0.0028772 4.5961369 0.0000000 0.0000000 0.0000000 4.2519021 ---------------------------------------------------------------------------- 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: 234/234 Permutation basis: 5916/5916 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 788 Number of blocks in projector: 364 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: 356 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (788, 768), data: False |-- (96, 93), data: True |-- (336, 328), data: True |-- (356, 347), data: True ----- Solver_atoms: 1 -- 78 / 78 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 0.539 Solver_block: 200 / 320 - Time: 0.544 Solver_block: 300 / 320 - Time: 0.543 Solver_block: 320 / 320 - Time: 0.146 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.787 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 234/234 Permutation basis: 5916/5916 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 788 Number of blocks in projector: 364 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: 356 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (788, 768), data: False |-- (96, 93), data: True |-- (336, 328), data: True |-- (356, 347), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:38:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] 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 3.943428573910503 2.276739548677286 2.309479209999998 b -3.943428573910496 2.276739548677286 2.309479209999998 c 0.000000000000004 -4.553479097354580 2.309479209999998 Atomic positions (fractional): 1 Li 0.90786798308542 0.40842003200264 0.70612391478019 6.941 2 Li 0.29387608521981 0.09213201691459 0.59157996799737 6.941 3 Li 0.59157996799737 0.29387608521981 0.09213201691458 6.941 4 Li 0.09213201691458 0.59157996799737 0.29387608521981 6.941 5 Li 0.70612391478019 0.90786798308542 0.40842003200263 6.941 6 Li 0.40842003200264 0.70612391478019 0.90786798308542 6.941 7 O 0.67388038413055 0.06255861899048 0.77789858420048 15.999 8 O 0.22210141579952 0.32611961586945 0.93744138100952 15.999 9 O 0.93744138100952 0.22210141579952 0.32611961586945 15.999 10 O 0.32611961586945 0.93744138100952 0.22210141579952 15.999 11 O 0.77789858420048 0.67388038413055 0.06255861899048 15.999 12 O 0.06255861899048 0.77789858420048 0.67388038413055 15.999 13 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.886857147820999 0.000000000000000 0.000000000000000 b -3.943428573910500 6.830218646031867 0.000000000000000 c 0.000000000000000 0.000000000000000 13.856875260000001 Atomic positions (fractional): 1 Li 0.23373067312933 0.96801339517589 0.33706865497804 6.941 > 1 2 Li 0.23373067312933 0.96801339517589 0.83706865497804 6.941 > 1 3 Li 0.96801339517589 0.73428272204655 0.16293134502196 6.941 > 3 4 Li 0.96801339517589 0.73428272204655 0.66293134502196 6.941 > 3 5 Li 0.26571727795345 0.23373067312933 0.16293134502196 6.941 > 5 6 Li 0.26571727795345 0.23373067312933 0.66293134502196 6.941 > 5 7 Li 0.76626932687066 0.03198660482411 0.16293134502196 6.941 > 7 8 Li 0.76626932687066 0.03198660482411 0.66293134502196 6.941 > 7 9 Li 0.03198660482411 0.26571727795345 0.33706865497804 6.941 > 9 10 Li 0.03198660482411 0.26571727795345 0.83706865497804 6.941 > 9 11 Li 0.73428272204655 0.76626932687066 0.33706865497804 6.941 > 11 12 Li 0.73428272204655 0.76626932687066 0.83706865497804 6.941 > 11 13 Li 0.90039733979600 0.30134672850922 0.00373532164471 6.941 > 1 14 Li 0.90039733979600 0.30134672850922 0.50373532164471 6.941 > 1 15 Li 0.63468006184255 0.06761605537989 0.32959801168863 6.941 > 3 16 Li 0.63468006184255 0.06761605537989 0.82959801168863 6.941 > 3 17 Li 0.93238394462011 0.56706400646267 0.32959801168863 6.941 > 5 18 Li 0.93238394462011 0.56706400646267 0.82959801168863 6.941 > 5 19 Li 0.43293599353733 0.36531993815745 0.32959801168863 6.941 > 7 20 Li 0.43293599353733 0.36531993815745 0.82959801168863 6.941 > 7 21 Li 0.69865327149078 0.59905061128678 0.00373532164471 6.941 > 9 22 Li 0.69865327149078 0.59905061128678 0.50373532164471 6.941 > 9 23 Li 0.40094938871322 0.09960266020400 0.00373532164471 6.941 > 11 24 Li 0.40094938871322 0.09960266020400 0.50373532164471 6.941 > 11 25 Li 0.56706400646267 0.63468006184255 0.17040198831137 6.941 > 1 26 Li 0.56706400646267 0.63468006184255 0.67040198831137 6.941 > 1 27 Li 0.30134672850922 0.40094938871322 0.49626467835529 6.941 > 3 28 Li 0.30134672850922 0.40094938871322 0.99626467835529 6.941 > 3 29 Li 0.59905061128678 0.90039733979600 0.49626467835529 6.941 > 5 30 Li 0.59905061128678 0.90039733979600 0.99626467835529 6.941 > 5 31 Li 0.09960266020400 0.69865327149078 0.49626467835529 6.941 > 7 32 Li 0.09960266020400 0.69865327149078 0.99626467835529 6.941 > 7 33 Li 0.36531993815745 0.93238394462011 0.17040198831137 6.941 > 9 34 Li 0.36531993815745 0.93238394462011 0.67040198831137 6.941 > 9 35 Li 0.06761605537989 0.43293599353733 0.17040198831137 6.941 > 11 36 Li 0.06761605537989 0.43293599353733 0.67040198831137 6.941 > 11 37 O 0.16910118835672 0.72688061157336 0.25238959788692 15.999 > 37 38 O 0.16910118835672 0.72688061157336 0.75238959788692 15.999 > 37 39 O 0.72688061157336 0.55777942321664 0.24761040211308 15.999 > 39 40 O 0.72688061157336 0.55777942321664 0.74761040211308 15.999 > 39 41 O 0.44222057678336 0.16910118835672 0.24761040211308 15.999 > 41 42 O 0.44222057678336 0.16910118835672 0.74761040211308 15.999 > 41 43 O 0.83089881164328 0.27311938842664 0.24761040211308 15.999 > 43 44 O 0.83089881164328 0.27311938842664 0.74761040211308 15.999 > 43 45 O 0.27311938842664 0.44222057678336 0.25238959788692 15.999 > 45 46 O 0.27311938842664 0.44222057678336 0.75238959788692 15.999 > 45 47 O 0.55777942321664 0.83089881164328 0.25238959788692 15.999 > 47 48 O 0.55777942321664 0.83089881164328 0.75238959788692 15.999 > 47 49 O 0.83576785502338 0.06021394490669 0.41905626455358 15.999 > 37 50 O 0.83576785502338 0.06021394490669 0.91905626455358 15.999 > 37 51 O 0.39354727824002 0.89111275654998 0.41427706877975 15.999 > 39 52 O 0.39354727824002 0.89111275654998 0.91427706877975 15.999 > 39 53 O 0.10888724345002 0.50243452169005 0.41427706877975 15.999 > 41 54 O 0.10888724345002 0.50243452169005 0.91427706877975 15.999 > 41 55 O 0.49756547830995 0.60645272175997 0.41427706877975 15.999 > 43 56 O 0.49756547830995 0.60645272175997 0.91427706877975 15.999 > 43 57 O 0.93978605509331 0.77555391011669 0.41905626455358 15.999 > 45 58 O 0.93978605509331 0.77555391011669 0.91905626455358 15.999 > 45 59 O 0.22444608988331 0.16423214497662 0.41905626455358 15.999 > 47 60 O 0.22444608988331 0.16423214497662 0.91905626455358 15.999 > 47 61 O 0.50243452169005 0.39354727824002 0.08572293122025 15.999 > 37 62 O 0.50243452169005 0.39354727824002 0.58572293122025 15.999 > 37 63 O 0.06021394490669 0.22444608988331 0.08094373544642 15.999 > 39 64 O 0.06021394490669 0.22444608988331 0.58094373544642 15.999 > 39 65 O 0.77555391011669 0.83576785502338 0.08094373544642 15.999 > 41 66 O 0.77555391011669 0.83576785502338 0.58094373544642 15.999 > 41 67 O 0.16423214497662 0.93978605509331 0.08094373544642 15.999 > 43 68 O 0.16423214497662 0.93978605509331 0.58094373544642 15.999 > 43 69 O 0.60645272175997 0.10888724345002 0.08572293122025 15.999 > 45 70 O 0.60645272175997 0.10888724345002 0.58572293122025 15.999 > 45 71 O 0.89111275654998 0.49756547830995 0.08572293122025 15.999 > 47 72 O 0.89111275654998 0.49756547830995 0.58572293122025 15.999 > 47 73 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 73 74 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 73 75 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 73 76 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 73 77 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 73 78 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1331923 -0.0000017 0.0000000 0.0000017 3.1331923 0.0000000 0.0000000 0.0000000 3.1586257 -------------------------- Born effective charges -------------------------- 1 Li 1.0131003 -0.0489477 -0.2872088 -0.0653330 1.0668993 -0.1341652 -0.2892120 -0.1068475 1.0306954 2 Li 1.0039646 0.0600585 0.2597949 0.0436732 1.0760350 -0.1816475 0.2371386 -0.1970412 1.0306954 3 Li 1.1029345 0.0134671 0.0274139 -0.0029182 0.9770651 0.3158127 0.0520734 0.3038887 1.0306954 4 Li 1.0131003 -0.0489477 -0.2872088 -0.0653330 1.0668993 -0.1341652 -0.2892120 -0.1068475 1.0306954 5 Li 1.0039646 0.0600585 0.2597949 0.0436732 1.0760350 -0.1816475 0.2371386 -0.1970412 1.0306954 6 Li 1.1029345 0.0134671 0.0274139 -0.0029182 0.9770651 0.3158127 0.0520734 0.3038887 1.0306954 7 O -2.0177776 0.0587308 -0.4992718 0.0760751 -1.5942677 0.0749354 -0.4678304 0.1222802 -1.7393458 8 O -1.6417725 0.1410115 0.1847400 0.1583559 -1.9702728 -0.4698498 0.1280174 -0.4662931 -1.7393458 9 O -1.7585178 -0.2257588 0.3145318 -0.2084145 -1.8535275 0.3949144 0.3398130 0.3440129 -1.7393458 10 O -2.0177776 0.0587308 -0.4992718 0.0760751 -1.5942677 0.0749354 -0.4678304 0.1222802 -1.7393458 11 O -1.6417725 0.1410115 0.1847400 0.1583559 -1.9702728 -0.4698498 0.1280174 -0.4662931 -1.7393458 12 O -1.7585178 -0.2257588 0.3145318 -0.2084145 -1.8535275 0.3949144 0.3398130 0.3440129 -1.7393458 13 Te 4.5961369 0.0028772 0.0000000 -0.0028772 4.5961369 0.0000000 0.0000000 0.0000000 4.2519021 ---------------------------------------------------------------------------- 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[ 37, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (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 2026-01-07 22:38:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] 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 3.943428573910503 2.276739548677286 2.309479209999998 b -3.943428573910496 2.276739548677286 2.309479209999998 c 0.000000000000004 -4.553479097354580 2.309479209999998 Atomic positions (fractional): 1 Li 0.90786798308542 0.40842003200264 0.70612391478019 6.941 2 Li 0.29387608521981 0.09213201691459 0.59157996799737 6.941 3 Li 0.59157996799737 0.29387608521981 0.09213201691458 6.941 4 Li 0.09213201691458 0.59157996799737 0.29387608521981 6.941 5 Li 0.70612391478019 0.90786798308542 0.40842003200263 6.941 6 Li 0.40842003200264 0.70612391478019 0.90786798308542 6.941 7 O 0.67388038413055 0.06255861899048 0.77789858420048 15.999 8 O 0.22210141579952 0.32611961586945 0.93744138100952 15.999 9 O 0.93744138100952 0.22210141579952 0.32611961586945 15.999 10 O 0.32611961586945 0.93744138100952 0.22210141579952 15.999 11 O 0.77789858420048 0.67388038413055 0.06255861899048 15.999 12 O 0.06255861899048 0.77789858420048 0.67388038413055 15.999 13 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.886857147820999 0.000000000000000 0.000000000000000 b -3.943428573910500 6.830218646031867 0.000000000000000 c 0.000000000000000 0.000000000000000 13.856875260000001 Atomic positions (fractional): 1 Li 0.23373067312933 0.96801339517589 0.33706865497804 6.941 > 1 2 Li 0.23373067312933 0.96801339517589 0.83706865497804 6.941 > 1 3 Li 0.96801339517589 0.73428272204655 0.16293134502196 6.941 > 3 4 Li 0.96801339517589 0.73428272204655 0.66293134502196 6.941 > 3 5 Li 0.26571727795345 0.23373067312933 0.16293134502196 6.941 > 5 6 Li 0.26571727795345 0.23373067312933 0.66293134502196 6.941 > 5 7 Li 0.76626932687066 0.03198660482411 0.16293134502196 6.941 > 7 8 Li 0.76626932687066 0.03198660482411 0.66293134502196 6.941 > 7 9 Li 0.03198660482411 0.26571727795345 0.33706865497804 6.941 > 9 10 Li 0.03198660482411 0.26571727795345 0.83706865497804 6.941 > 9 11 Li 0.73428272204655 0.76626932687066 0.33706865497804 6.941 > 11 12 Li 0.73428272204655 0.76626932687066 0.83706865497804 6.941 > 11 13 Li 0.90039733979600 0.30134672850922 0.00373532164471 6.941 > 1 14 Li 0.90039733979600 0.30134672850922 0.50373532164471 6.941 > 1 15 Li 0.63468006184255 0.06761605537989 0.32959801168863 6.941 > 3 16 Li 0.63468006184255 0.06761605537989 0.82959801168863 6.941 > 3 17 Li 0.93238394462011 0.56706400646267 0.32959801168863 6.941 > 5 18 Li 0.93238394462011 0.56706400646267 0.82959801168863 6.941 > 5 19 Li 0.43293599353733 0.36531993815745 0.32959801168863 6.941 > 7 20 Li 0.43293599353733 0.36531993815745 0.82959801168863 6.941 > 7 21 Li 0.69865327149078 0.59905061128678 0.00373532164471 6.941 > 9 22 Li 0.69865327149078 0.59905061128678 0.50373532164471 6.941 > 9 23 Li 0.40094938871322 0.09960266020400 0.00373532164471 6.941 > 11 24 Li 0.40094938871322 0.09960266020400 0.50373532164471 6.941 > 11 25 Li 0.56706400646267 0.63468006184255 0.17040198831137 6.941 > 1 26 Li 0.56706400646267 0.63468006184255 0.67040198831137 6.941 > 1 27 Li 0.30134672850922 0.40094938871322 0.49626467835529 6.941 > 3 28 Li 0.30134672850922 0.40094938871322 0.99626467835529 6.941 > 3 29 Li 0.59905061128678 0.90039733979600 0.49626467835529 6.941 > 5 30 Li 0.59905061128678 0.90039733979600 0.99626467835529 6.941 > 5 31 Li 0.09960266020400 0.69865327149078 0.49626467835529 6.941 > 7 32 Li 0.09960266020400 0.69865327149078 0.99626467835529 6.941 > 7 33 Li 0.36531993815745 0.93238394462011 0.17040198831137 6.941 > 9 34 Li 0.36531993815745 0.93238394462011 0.67040198831137 6.941 > 9 35 Li 0.06761605537989 0.43293599353733 0.17040198831137 6.941 > 11 36 Li 0.06761605537989 0.43293599353733 0.67040198831137 6.941 > 11 37 O 0.16910118835672 0.72688061157336 0.25238959788692 15.999 > 37 38 O 0.16910118835672 0.72688061157336 0.75238959788692 15.999 > 37 39 O 0.72688061157336 0.55777942321664 0.24761040211308 15.999 > 39 40 O 0.72688061157336 0.55777942321664 0.74761040211308 15.999 > 39 41 O 0.44222057678336 0.16910118835672 0.24761040211308 15.999 > 41 42 O 0.44222057678336 0.16910118835672 0.74761040211308 15.999 > 41 43 O 0.83089881164328 0.27311938842664 0.24761040211308 15.999 > 43 44 O 0.83089881164328 0.27311938842664 0.74761040211308 15.999 > 43 45 O 0.27311938842664 0.44222057678336 0.25238959788692 15.999 > 45 46 O 0.27311938842664 0.44222057678336 0.75238959788692 15.999 > 45 47 O 0.55777942321664 0.83089881164328 0.25238959788692 15.999 > 47 48 O 0.55777942321664 0.83089881164328 0.75238959788692 15.999 > 47 49 O 0.83576785502338 0.06021394490669 0.41905626455358 15.999 > 37 50 O 0.83576785502338 0.06021394490669 0.91905626455358 15.999 > 37 51 O 0.39354727824002 0.89111275654998 0.41427706877975 15.999 > 39 52 O 0.39354727824002 0.89111275654998 0.91427706877975 15.999 > 39 53 O 0.10888724345002 0.50243452169005 0.41427706877975 15.999 > 41 54 O 0.10888724345002 0.50243452169005 0.91427706877975 15.999 > 41 55 O 0.49756547830995 0.60645272175997 0.41427706877975 15.999 > 43 56 O 0.49756547830995 0.60645272175997 0.91427706877975 15.999 > 43 57 O 0.93978605509331 0.77555391011669 0.41905626455358 15.999 > 45 58 O 0.93978605509331 0.77555391011669 0.91905626455358 15.999 > 45 59 O 0.22444608988331 0.16423214497662 0.41905626455358 15.999 > 47 60 O 0.22444608988331 0.16423214497662 0.91905626455358 15.999 > 47 61 O 0.50243452169005 0.39354727824002 0.08572293122025 15.999 > 37 62 O 0.50243452169005 0.39354727824002 0.58572293122025 15.999 > 37 63 O 0.06021394490669 0.22444608988331 0.08094373544642 15.999 > 39 64 O 0.06021394490669 0.22444608988331 0.58094373544642 15.999 > 39 65 O 0.77555391011669 0.83576785502338 0.08094373544642 15.999 > 41 66 O 0.77555391011669 0.83576785502338 0.58094373544642 15.999 > 41 67 O 0.16423214497662 0.93978605509331 0.08094373544642 15.999 > 43 68 O 0.16423214497662 0.93978605509331 0.58094373544642 15.999 > 43 69 O 0.60645272175997 0.10888724345002 0.08572293122025 15.999 > 45 70 O 0.60645272175997 0.10888724345002 0.58572293122025 15.999 > 45 71 O 0.89111275654998 0.49756547830995 0.08572293122025 15.999 > 47 72 O 0.89111275654998 0.49756547830995 0.58572293122025 15.999 > 47 73 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 73 74 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 73 75 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 73 76 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 73 77 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 73 78 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1331923 -0.0000017 0.0000000 0.0000017 3.1331923 0.0000000 0.0000000 0.0000000 3.1586257 -------------------------- Born effective charges -------------------------- 1 Li 1.0131003 -0.0489477 -0.2872088 -0.0653330 1.0668993 -0.1341652 -0.2892120 -0.1068475 1.0306954 2 Li 1.0039646 0.0600585 0.2597949 0.0436732 1.0760350 -0.1816475 0.2371386 -0.1970412 1.0306954 3 Li 1.1029345 0.0134671 0.0274139 -0.0029182 0.9770651 0.3158127 0.0520734 0.3038887 1.0306954 4 Li 1.0131003 -0.0489477 -0.2872088 -0.0653330 1.0668993 -0.1341652 -0.2892120 -0.1068475 1.0306954 5 Li 1.0039646 0.0600585 0.2597949 0.0436732 1.0760350 -0.1816475 0.2371386 -0.1970412 1.0306954 6 Li 1.1029345 0.0134671 0.0274139 -0.0029182 0.9770651 0.3158127 0.0520734 0.3038887 1.0306954 7 O -2.0177776 0.0587308 -0.4992718 0.0760751 -1.5942677 0.0749354 -0.4678304 0.1222802 -1.7393458 8 O -1.6417725 0.1410115 0.1847400 0.1583559 -1.9702728 -0.4698498 0.1280174 -0.4662931 -1.7393458 9 O -1.7585178 -0.2257588 0.3145318 -0.2084145 -1.8535275 0.3949144 0.3398130 0.3440129 -1.7393458 10 O -2.0177776 0.0587308 -0.4992718 0.0760751 -1.5942677 0.0749354 -0.4678304 0.1222802 -1.7393458 11 O -1.6417725 0.1410115 0.1847400 0.1583559 -1.9702728 -0.4698498 0.1280174 -0.4662931 -1.7393458 12 O -1.7585178 -0.2257588 0.3145318 -0.2084145 -1.8535275 0.3949144 0.3398130 0.3440129 -1.7393458 13 Te 4.5961369 0.0028772 0.0000000 -0.0028772 4.5961369 0.0000000 0.0000000 0.0000000 4.2519021 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.83, Number of G-points: 321, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 0.000) 0.000 10.333 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 12.568 ( 0.000 0.000 0.000) 0.000 13.075 ( 0.000 0.000 0.000) 0.000 13.075 ( 0.000 0.000 0.000) 0.000 13.755 ( 0.000 0.000 0.000) 0.000 13.755 ( 0.000 0.000 0.000) 0.000 14.015 ( 0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 15.244 ( 0.000 0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 18.335 ( 0.000 0.000 0.000) 0.000 18.585 ( 0.000 0.000 0.000) 0.000 18.585 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 20.447 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 18.331 -17.513 31.674) 40.571 0.607 ( 23.807 10.983 14.684) 30.050 1.428 ( 43.715 37.148 38.804) 69.258 4.323 ( 1.616 1.112 4.089) 4.535 5.683 ( -2.235 5.656 -1.161) 6.192 6.187 ( 38.629 10.587 -42.079) 58.094 6.510 ( -7.077 -4.044 -6.582) 10.477 6.665 ( 3.375 4.556 0.304) 5.678 8.336 ( -25.596 -4.896 12.817) 29.041 8.883 ( -6.487 -4.497 1.010) 7.957 8.965 ( -0.072 -10.413 8.770) 13.614 9.340 ( -15.353 -1.925 18.740) 24.302 9.649 ( -3.324 -2.295 2.340) 4.668 9.974 ( -2.577 -4.441 0.133) 5.136 10.248 ( -5.964 -2.892 4.072) 7.779 10.304 ( 2.532 0.759 -2.479) 3.624 10.487 ( 2.642 -5.896 2.986) 7.117 10.883 ( -0.025 3.693 -13.459) 13.957 11.220 ( 4.782 3.461 11.943) 13.322 12.560 ( 4.509 1.271 -7.353) 8.719 13.002 ( -4.954 -0.258 -4.495) 6.695 13.139 ( 6.811 4.860 0.345) 8.375 13.702 ( -7.626 -3.717 1.859) 8.685 13.723 ( -5.563 1.375 1.058) 5.827 14.157 ( -0.435 -0.028 -3.974) 3.998 14.208 ( 9.562 -2.087 3.322) 10.336 15.101 ( 1.842 4.027 -9.479) 10.463 15.523 ( -16.776 12.580 -10.415) 23.413 15.630 ( 10.813 -25.015 -7.633) 28.301 15.777 ( -0.764 -0.716 9.556) 9.614 15.891 ( -9.611 -10.152 21.818) 25.913 16.502 ( 2.783 11.870 9.058) 15.189 16.940 ( 21.624 16.636 -35.517) 44.786 18.208 ( -9.446 -5.160 -15.497) 18.868 18.443 ( 7.386 -0.884 -11.428) 13.636 18.823 ( -3.098 -2.060 21.696) 22.012 18.956 ( 3.263 2.850 17.585) 18.111 20.479 ( 2.589 1.300 1.748) 3.384 22.335 ( 1.275 3.029 -7.240) 7.951 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 23.867 -14.350 23.647) 36.534 1.184 ( 15.564 11.238 19.833) 27.602 2.726 ( 37.165 31.163 33.457) 58.922 4.412 ( -0.421 0.848 5.029) 5.118 5.716 ( 2.197 11.602 -2.182) 12.008 6.115 ( 11.282 -4.181 -22.323) 25.359 6.255 ( -1.744 -5.335 -6.903) 8.897 6.759 ( 5.159 3.312 0.752) 6.177 8.094 ( -19.839 4.715 -5.973) 21.249 8.766 ( -8.969 -6.509 3.148) 11.520 9.014 ( 4.241 -12.496 5.336) 14.234 9.375 ( -6.135 3.775 2.098) 7.503 9.603 ( -6.125 -6.578 1.246) 9.074 9.930 ( -5.377 6.478 4.616) 9.601 10.162 ( -1.362 -6.123 0.529) 6.295 10.342 ( 1.447 -7.122 -2.390) 7.650 10.514 ( 2.242 -9.012 5.833) 10.967 10.799 ( -3.764 7.930 3.648) 9.505 11.494 ( 1.768 1.747 15.812) 16.007 12.455 ( 2.937 -4.753 -11.648) 12.918 12.863 ( -5.293 3.144 -5.508) 8.261 13.278 ( 6.162 6.883 -3.560) 9.901 13.558 ( -3.721 -5.918 -5.468) 8.875 13.702 ( -6.693 5.844 3.902) 9.704 14.076 ( 0.230 -5.579 -1.917) 5.904 14.375 ( 12.433 2.267 -1.712) 12.753 14.981 ( -5.502 4.270 -8.047) 10.643 15.252 ( -6.913 1.757 -11.644) 13.655 15.506 ( 8.637 -14.905 -6.277) 18.335 15.918 ( -2.195 -3.914 12.832) 13.594 15.977 ( -6.402 -5.257 13.065) 15.470 16.721 ( 3.865 16.099 -3.776) 16.982 16.859 ( 8.608 6.771 -8.999) 14.175 17.833 ( -7.882 -5.247 -15.151) 17.866 18.389 ( 6.788 0.351 -8.581) 10.947 19.086 ( -1.787 -0.804 18.799) 18.901 19.238 ( 3.129 0.953 13.826) 14.207 20.592 ( 6.391 2.274 4.599) 8.196 22.236 ( -4.136 1.914 -6.451) 7.899 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 21.179 -4.275 11.403) 24.431 1.748 ( 11.692 4.671 25.392) 28.342 3.708 ( 21.165 18.443 20.723) 34.893 4.490 ( 1.817 2.536 7.333) 7.969 5.699 ( -7.620 -0.850 -18.472) 20.000 5.889 ( 8.620 5.491 -2.841) 10.608 6.275 ( 8.665 -0.761 0.702) 8.727 6.861 ( 7.094 0.785 0.618) 7.164 7.741 ( -19.956 4.425 -11.896) 23.650 8.662 ( -9.413 -3.806 2.924) 10.566 9.027 ( 5.037 -13.549 1.010) 14.490 9.253 ( -9.920 -4.321 -1.833) 10.975 9.517 ( -3.708 5.724 -0.920) 6.882 10.048 ( -3.290 4.862 7.037) 9.164 10.093 ( -2.306 -11.354 -3.664) 12.151 10.243 ( 4.892 -3.708 1.898) 6.425 10.622 ( 2.033 -1.639 8.707) 9.090 10.963 ( 0.697 7.939 10.493) 13.177 11.709 ( -3.051 -2.948 15.226) 15.806 12.259 ( 2.158 -7.739 -12.297) 14.689 12.794 ( -2.431 5.900 -0.902) 6.444 13.082 ( -11.806 -4.958 -15.828) 20.359 13.491 ( 6.534 -2.183 -6.302) 9.337 13.774 ( 1.852 13.968 -0.028) 14.090 14.056 ( 0.521 -8.400 5.575) 10.095 14.469 ( 6.813 3.500 -6.502) 10.047 14.823 ( -7.206 2.810 -4.081) 8.745 15.054 ( -1.599 -1.918 -8.499) 8.859 15.447 ( 5.843 -8.319 -3.149) 10.643 15.955 ( -5.891 -5.163 6.460) 10.154 16.096 ( 0.194 -2.392 10.399) 10.672 16.731 ( 5.124 12.471 -11.532) 17.742 16.990 ( 4.422 4.815 3.591) 7.459 17.515 ( -7.439 -3.783 -10.253) 13.220 18.366 ( 4.863 0.177 -5.286) 7.185 19.280 ( -2.228 -0.938 12.305) 12.540 19.446 ( 1.945 0.518 9.706) 9.913 20.807 ( 10.173 2.313 7.733) 12.986 22.074 ( -7.484 1.357 -7.232) 10.495 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 11.653 -0.610 5.577) 12.934 2.232 ( 8.645 2.569 17.827) 19.978 4.010 ( -1.489 2.265 0.959) 2.876 4.823 ( 11.906 6.056 14.843) 19.969 5.325 ( -6.505 -3.422 -13.696) 15.544 6.039 ( 9.954 7.121 -2.621) 12.517 6.417 ( 2.635 2.179 5.885) 6.806 6.968 ( 9.595 -0.597 -0.847) 9.651 7.353 ( -17.279 1.680 -9.888) 19.979 8.524 ( -8.702 -2.630 -2.092) 9.328 8.987 ( 1.437 -10.836 2.024) 11.117 9.135 ( -4.015 0.956 -0.636) 4.176 9.547 ( -0.269 9.045 0.545) 9.066 9.858 ( -4.351 -13.589 -4.569) 14.982 10.122 ( 0.956 -1.359 2.297) 2.835 10.415 ( 4.152 5.846 6.617) 9.757 10.757 ( 2.470 -1.307 6.621) 7.187 11.169 ( 0.461 7.867 7.047) 10.572 11.834 ( -4.323 -7.169 15.801) 17.882 12.078 ( 2.942 -4.523 -10.059) 11.414 12.612 ( -10.705 -6.002 -19.839) 23.329 12.868 ( -0.396 6.843 5.530) 8.807 13.418 ( 2.399 -4.841 -7.486) 9.232 13.909 ( 6.925 14.927 -4.838) 17.152 14.101 ( -1.092 -10.483 9.136) 13.948 14.409 ( -1.971 4.737 -7.798) 9.335 14.756 ( -1.823 -0.804 0.585) 2.077 14.936 ( 0.011 -0.797 -4.919) 4.983 15.430 ( 2.915 -3.789 -1.015) 4.887 15.927 ( -2.884 -2.215 1.774) 4.046 16.208 ( 0.309 -1.882 6.420) 6.698 16.728 ( 3.491 5.918 -6.126) 9.205 17.099 ( 3.803 3.153 0.216) 4.945 17.307 ( -6.361 -1.758 -3.381) 7.415 18.359 ( 2.587 0.013 -2.453) 3.565 19.376 ( -1.660 -0.804 5.721) 6.011 19.574 ( 0.731 0.432 5.107) 5.178 21.078 ( 10.530 1.421 8.224) 13.437 21.870 ( -8.542 0.678 -7.192) 11.187 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 -0.000) 0.000 3.986 ( 0.000 -0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.487 ( -0.000 -0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.139 ( -0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 -0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 9.627 ( -0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 -0.000 0.000) 0.000 10.524 ( 0.000 -0.000 0.000) 0.000 10.823 ( 0.000 -0.000 0.000) 0.000 11.254 ( 0.000 0.000 0.000) 0.000 11.961 ( -0.000 -0.000 0.000) 0.000 11.992 ( 0.000 0.000 -0.000) 0.000 12.300 ( 0.000 0.000 0.000) 0.000 12.963 ( 0.000 -0.000 0.000) 0.000 13.333 ( 0.000 0.000 0.000) 0.000 13.990 ( 0.000 -0.000 0.000) 0.000 14.112 ( 0.000 0.000 -0.000) 0.000 14.346 ( 0.000 0.000 0.000) 0.000 14.748 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 15.428 ( 0.000 -0.000 0.000) 0.000 15.912 ( 0.000 0.000 0.000) 0.000 16.251 ( 0.000 0.000 0.000) 0.000 16.727 ( -0.000 0.000 0.000) 0.000 17.139 ( 0.000 0.000 -0.000) 0.000 17.233 ( -0.000 0.000 0.000) 0.000 18.358 ( 0.000 0.000 0.000) 0.000 19.403 ( 0.000 -0.000 0.000) 0.000 19.617 ( 0.000 0.000 0.000) 0.000 21.244 ( 0.000 0.000 0.000) 0.000 21.733 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -3.741 0.854 29.359) 29.609 1.506 ( -22.735 26.533 36.928) 50.839 1.806 ( 20.462 30.578 43.736) 57.154 4.412 ( 0.246 1.644 7.411) 7.596 5.649 ( 9.965 0.472 -5.240) 11.268 5.828 ( -10.932 17.415 -10.864) 23.256 6.422 ( -1.353 -7.925 -7.871) 11.251 6.665 ( 0.990 9.230 -1.229) 9.364 8.314 ( 6.554 -16.295 -5.684) 18.460 8.861 ( -1.679 -5.305 -2.232) 5.995 8.993 ( -5.666 6.603 -3.034) 9.215 9.559 ( 6.794 -16.035 9.356) 19.769 9.704 ( -0.780 -12.881 6.944) 14.655 10.053 ( 3.071 -5.785 -2.015) 6.853 10.218 ( -5.180 1.454 -0.115) 5.382 10.275 ( -2.626 -9.167 0.215) 9.538 10.497 ( -7.100 -0.020 5.504) 8.984 10.791 ( 5.934 12.725 -5.171) 14.962 11.458 ( 0.313 3.865 19.537) 19.918 12.430 ( -1.362 3.796 -10.836) 11.562 12.936 ( 0.730 -2.545 -7.582) 8.031 13.083 ( 2.095 5.603 -2.706) 6.565 13.715 ( -2.090 -2.073 -2.454) 3.832 13.798 ( 5.822 1.912 1.083) 6.223 14.098 ( -0.838 -0.269 -3.629) 3.734 14.161 ( -4.214 0.552 -4.270) 6.024 14.982 ( 2.151 -2.048 -5.441) 6.199 15.302 ( 3.148 -13.338 -4.465) 14.413 15.618 ( -9.591 6.383 -10.947) 15.892 15.944 ( -0.668 -0.896 12.904) 12.953 16.207 ( -14.098 -8.276 3.419) 16.702 16.408 ( 23.285 8.608 2.321) 24.933 16.679 ( -3.028 14.542 -6.624) 16.264 18.070 ( 4.445 4.080 -17.611) 18.616 18.161 ( -5.636 4.065 -12.859) 14.617 19.120 ( -0.974 -11.010 20.593) 23.372 19.258 ( 0.477 2.691 21.814) 21.985 20.514 ( -0.374 2.908 3.404) 4.493 22.242 ( 1.565 -0.812 -5.256) 5.544 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 4.478 -0.373 29.906) 30.241 1.881 ( -23.772 19.325 38.131) 48.913 2.982 ( 32.461 28.043 33.296) 54.302 4.526 ( -1.707 1.153 6.649) 6.961 5.675 ( 10.737 1.420 -11.178) 15.564 5.723 ( -0.322 11.299 -12.238) 16.659 6.215 ( -4.924 -10.792 1.095) 11.912 6.750 ( 2.664 7.237 0.068) 7.712 8.140 ( -5.853 -2.494 -11.106) 12.799 8.796 ( 5.134 -14.487 2.328) 15.545 8.885 ( -6.070 -3.252 -2.314) 7.265 9.573 ( -12.557 -1.820 0.208) 12.690 9.657 ( -1.970 -12.126 6.436) 13.869 10.006 ( 7.903 -12.522 -4.191) 15.390 10.136 ( -3.286 -3.707 -0.214) 4.958 10.168 ( -2.719 -1.305 0.764) 3.111 10.584 ( 0.150 2.128 7.182) 7.492 10.929 ( 3.404 10.104 4.612) 11.617 11.768 ( -1.380 1.116 19.725) 19.804 12.248 ( -1.947 -1.259 -12.676) 12.887 12.809 ( 0.802 1.624 -7.747) 7.956 13.164 ( 8.223 6.453 -5.010) 11.591 13.500 ( -12.216 -3.729 -12.054) 17.562 13.810 ( -1.339 -3.321 -2.114) 4.159 14.058 ( 0.797 4.484 2.309) 5.106 14.182 ( 11.230 3.100 -5.781) 13.005 14.915 ( 1.795 -3.789 -4.673) 6.278 15.199 ( -6.103 0.177 -4.924) 7.843 15.378 ( -5.498 -1.299 -3.697) 6.751 16.087 ( -2.862 -5.210 9.850) 11.505 16.144 ( -2.697 -6.821 7.291) 10.342 16.540 ( 7.412 12.799 -14.651) 20.818 16.803 ( 8.418 8.592 2.524) 12.291 17.797 ( -12.193 3.766 -9.872) 16.135 18.116 ( 12.038 3.752 -10.793) 16.597 19.292 ( -0.564 -13.135 16.610) 21.184 19.558 ( -5.150 4.177 20.168) 21.230 20.618 ( 3.581 3.177 5.523) 7.309 22.158 ( 0.599 -2.237 -7.308) 7.666 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 3.447 4.136 25.241) 25.809 2.273 ( -16.111 13.078 33.563) 39.460 3.876 ( 16.994 14.810 19.002) 29.482 4.589 ( 1.593 2.119 5.515) 6.120 5.473 ( -4.076 -0.867 -17.764) 18.246 5.745 ( 12.313 7.974 -5.646) 15.718 6.278 ( 5.087 -2.529 10.729) 12.141 6.824 ( 2.242 3.014 0.476) 3.787 7.807 ( -15.690 1.434 -13.792) 20.939 8.712 ( -1.687 -11.916 -6.261) 13.566 8.861 ( 4.175 -11.993 9.147) 15.650 9.353 ( -12.334 -4.942 -1.371) 13.358 9.611 ( -5.286 1.250 -0.155) 5.434 9.854 ( 5.006 -17.648 -9.031) 20.447 10.089 ( 2.205 -10.425 2.350) 10.912 10.322 ( 2.073 10.688 9.911) 14.723 10.695 ( 1.412 0.786 5.118) 5.367 11.135 ( 3.065 11.148 5.497) 12.801 11.969 ( -5.463 -4.182 15.685) 17.128 12.024 ( -0.266 -2.497 -12.862) 13.105 12.815 ( 4.404 6.073 0.476) 7.517 12.966 ( -15.090 -5.620 -18.523) 24.544 13.266 ( 6.734 -3.602 -8.571) 11.480 13.773 ( 3.767 4.817 -4.258) 7.451 14.162 ( -2.971 2.262 8.476) 9.262 14.257 ( 12.472 5.020 -10.126) 16.831 14.850 ( 0.273 -2.846 -1.884) 3.424 15.021 ( -10.827 6.053 -4.747) 13.282 15.359 ( 2.114 -4.509 3.194) 5.916 16.044 ( -4.783 -6.998 2.032) 8.716 16.227 ( -2.217 -2.301 8.273) 8.868 16.534 ( 9.354 7.796 -10.623) 16.159 16.958 ( 5.949 9.293 -2.997) 11.434 17.582 ( -12.039 2.654 -1.770) 12.454 18.155 ( 11.671 3.897 -8.871) 15.169 19.385 ( -0.797 -14.279 11.335) 18.249 19.760 ( -10.471 5.485 16.326) 20.156 20.815 ( 8.766 1.821 8.068) 12.052 22.009 ( -2.000 -3.139 -9.369) 10.081 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -3.778 9.416 17.915) 20.589 2.580 ( -14.875 5.962 23.953) 28.819 4.067 ( -4.741 -1.172 -0.071) 4.884 4.873 ( 13.176 5.386 7.782) 16.223 5.211 ( -4.492 0.053 -7.536) 8.774 5.924 ( 12.980 7.045 -0.493) 14.777 6.501 ( 3.468 0.721 9.368) 10.016 6.855 ( 4.007 -1.501 -2.009) 4.727 7.441 ( -15.063 1.517 -8.162) 17.199 8.495 ( -2.746 -11.001 -6.254) 12.950 8.946 ( 1.543 -6.120 5.028) 8.069 9.197 ( -6.293 -6.024 2.302) 9.011 9.563 ( 3.282 -3.327 -5.014) 6.854 9.695 ( 0.956 -6.456 -2.883) 7.135 10.094 ( 3.625 -9.500 2.495) 10.470 10.537 ( -1.156 6.589 6.996) 9.679 10.774 ( 2.738 -0.381 1.878) 3.342 11.262 ( 0.322 8.710 -2.652) 9.110 11.863 ( 3.106 2.233 -11.166) 11.803 12.087 ( -3.837 -3.865 14.497) 15.487 12.469 ( -12.224 -4.611 -15.077) 19.950 12.948 ( 1.424 5.632 -0.620) 5.842 13.200 ( 8.781 -8.742 -2.322) 12.607 13.852 ( 7.091 11.466 -3.577) 13.948 14.227 ( -5.882 -4.340 8.283) 11.047 14.262 ( 7.626 3.621 -10.506) 13.478 14.844 ( 0.206 -0.411 2.295) 2.341 14.903 ( -7.326 7.415 -2.541) 10.729 15.414 ( 0.925 -1.864 4.429) 4.893 15.969 ( -3.432 -3.408 0.615) 4.876 16.258 ( -1.505 -2.647 1.660) 3.468 16.590 ( 9.267 3.764 -4.085) 10.804 17.013 ( 3.897 7.719 -6.154) 10.613 17.472 ( -11.274 2.157 4.234) 12.235 18.207 ( 10.367 4.106 -7.390) 13.377 19.396 ( -1.087 -14.006 6.523) 15.489 19.841 ( -13.950 5.651 10.871) 18.567 21.079 ( 10.466 -0.064 9.412) 14.075 21.800 ( -3.028 -3.917 -10.789) 11.871 ======================= Grid point 16 (11/172) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -12.316 12.777 6.301) 18.832 2.611 ( -23.902 0.055 11.393) 26.479 4.002 ( -1.825 -2.926 1.610) 3.806 4.978 ( 0.243 1.907 -8.614) 8.826 5.203 ( 2.706 -0.344 6.127) 6.707 6.125 ( 6.493 3.616 3.670) 8.289 6.492 ( -7.458 -5.674 -3.108) 9.873 6.968 ( 13.061 -1.105 5.941) 14.391 7.251 ( -10.883 2.410 0.324) 11.151 8.365 ( 3.509 -6.510 -2.086) 7.684 8.960 ( 1.399 2.090 -1.279) 2.822 9.154 ( -3.792 -7.393 5.135) 9.768 9.477 ( 6.160 -11.061 -5.720) 13.892 9.730 ( 3.976 6.119 1.052) 7.373 10.105 ( 3.430 -7.707 1.508) 8.569 10.531 ( -5.826 -4.164 -2.241) 7.504 10.794 ( -0.422 3.444 -4.259) 5.494 11.197 ( -1.919 0.082 -8.105) 8.330 11.746 ( 2.942 7.256 -16.970) 18.689 12.152 ( -3.465 6.043 3.777) 7.924 12.427 ( 4.692 0.116 16.137) 16.806 12.843 ( 0.559 -3.468 -10.314) 10.896 13.349 ( 6.957 -1.700 7.749) 10.551 13.988 ( 4.439 9.805 -0.537) 10.776 14.172 ( -7.395 -8.662 4.737) 12.335 14.246 ( 7.130 0.341 -5.989) 9.318 14.853 ( -7.557 6.691 1.502) 10.205 14.912 ( 1.992 2.775 2.923) 4.496 15.478 ( -0.857 2.019 4.285) 4.813 15.930 ( -2.218 -0.552 0.655) 2.378 16.207 ( -0.003 -3.109 -3.881) 4.973 16.687 ( 6.436 0.231 0.734) 6.481 17.006 ( 4.325 3.843 -7.551) 9.513 17.446 ( -10.583 3.368 8.851) 14.201 18.262 ( 8.982 4.631 -6.543) 12.039 19.348 ( -1.121 -12.958 2.544) 13.253 19.810 ( -14.986 4.618 5.144) 16.504 21.263 ( -1.117 -1.915 2.443) 3.299 21.639 ( 6.874 -3.972 -4.659) 9.204 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -17.806 10.851 -15.673) 26.085 2.413 ( -37.136 3.212 16.583) 40.797 3.976 ( -3.213 -5.933 -1.477) 6.907 4.693 ( -10.744 -7.497 -14.945) 19.874 5.434 ( 10.400 5.525 11.226) 16.271 6.143 ( -9.916 -7.780 1.187) 12.660 6.370 ( 1.772 -0.592 0.216) 1.880 7.133 ( -12.151 2.982 0.291) 12.515 7.275 ( 15.545 -3.860 11.672) 19.819 8.410 ( 9.737 -2.271 -1.136) 10.062 9.042 ( 5.478 10.158 1.727) 11.669 9.099 ( -2.012 -7.549 0.042) 7.813 9.425 ( 6.173 -8.122 -2.432) 10.488 9.869 ( 8.192 7.246 -0.817) 10.967 10.110 ( 0.829 -5.150 1.612) 5.459 10.329 ( -5.149 -8.747 -6.280) 11.935 10.684 ( -3.271 5.341 -10.694) 12.393 11.011 ( -3.425 -2.889 -10.563) 11.474 11.619 ( 4.017 6.639 -13.305) 15.403 12.304 ( -0.417 12.179 8.867) 15.070 12.676 ( 7.693 -6.699 -5.635) 11.654 12.827 ( 6.267 5.551 15.256) 17.402 13.493 ( 4.051 -0.869 3.878) 5.675 13.970 ( -9.332 -18.935 7.302) 22.338 14.105 ( -3.353 16.347 -8.426) 18.694 14.363 ( 12.841 -4.069 6.063) 14.772 14.826 ( -6.488 6.634 0.095) 9.280 15.023 ( 1.345 1.427 7.246) 7.507 15.552 ( -1.563 6.834 4.052) 8.097 15.904 ( -2.533 2.003 -1.583) 3.596 16.111 ( 0.111 -2.345 -6.720) 7.118 16.758 ( 2.487 -6.596 4.688) 8.466 16.959 ( 5.109 -0.295 -9.611) 10.889 17.532 ( -7.506 7.257 14.379) 17.770 18.313 ( 7.866 5.401 -6.179) 11.368 19.253 ( -1.651 -11.713 -0.855) 11.859 19.683 ( -14.596 2.709 -0.339) 14.850 21.081 ( -10.538 -3.537 -8.073) 13.738 21.797 ( 13.918 -3.004 5.563) 15.287 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -23.885 12.032 -21.026) 34.020 2.171 ( -46.208 8.132 16.596) 49.767 3.541 ( -25.214 -22.484 -22.362) 40.514 4.418 ( -2.295 -1.479 -3.720) 4.614 5.771 ( 7.412 -7.602 9.514) 14.256 5.974 ( -2.496 5.851 0.195) 6.364 6.465 ( -1.754 -1.254 12.248) 12.436 7.002 ( -13.944 5.434 1.148) 15.009 7.592 ( 17.756 -8.148 7.128) 20.796 8.502 ( 10.791 1.472 -3.935) 11.580 8.999 ( 1.019 -4.255 -6.408) 7.759 9.296 ( 8.827 13.700 6.214) 17.442 9.441 ( 6.334 -4.015 -0.210) 7.503 9.888 ( -3.077 -5.652 -6.019) 8.811 10.113 ( 3.187 2.264 -0.627) 3.960 10.234 ( 6.769 -4.961 0.353) 8.400 10.538 ( -1.066 7.621 -10.147) 12.735 10.788 ( -3.820 -2.130 -10.712) 11.571 11.520 ( 0.301 2.261 -10.031) 10.287 12.526 ( -1.244 11.903 9.424) 15.233 12.670 ( 9.163 -4.541 -1.417) 10.324 13.153 ( 10.251 4.338 6.007) 12.649 13.584 ( 2.319 -0.936 4.896) 5.498 13.765 ( -12.510 -16.531 3.016) 20.950 14.088 ( -0.754 9.790 -2.817) 10.215 14.570 ( 2.614 -1.764 6.856) 7.547 14.812 ( 0.715 3.592 1.152) 3.840 15.168 ( 1.640 -2.195 10.213) 10.574 15.660 ( 0.497 13.449 0.942) 13.491 15.836 ( -2.567 2.302 -5.322) 6.342 15.982 ( -3.038 -0.404 -6.651) 7.323 16.770 ( -0.115 -12.403 -1.288) 12.471 16.895 ( 4.111 -3.226 1.650) 5.480 17.768 ( -2.443 10.467 16.780) 19.927 18.363 ( 7.230 6.311 -6.017) 11.327 19.106 ( -3.745 -10.497 -3.575) 11.705 19.471 ( -13.820 -0.057 -5.330) 14.812 20.807 ( -9.662 -3.116 -7.345) 12.530 22.030 ( 11.476 -2.488 6.489) 13.416 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -27.771 18.798 -18.124) 38.119 1.845 ( -53.596 10.307 17.137) 57.205 2.516 ( -40.321 -31.629 -29.909) 59.335 4.375 ( -1.793 0.129 -1.097) 2.106 5.710 ( -3.658 -8.667 2.334) 9.692 6.254 ( 11.963 12.202 5.648) 17.998 6.617 ( 0.139 -10.915 11.685) 15.990 6.963 ( -17.713 13.901 17.810) 28.709 7.739 ( 17.738 -10.918 -11.955) 24.016 8.595 ( 11.457 3.899 -5.718) 13.385 8.891 ( 3.203 -1.396 -8.042) 8.768 9.484 ( 1.881 -0.705 4.574) 4.995 9.545 ( -3.705 8.836 -2.523) 9.908 9.752 ( 9.314 -5.235 0.085) 10.685 10.146 ( 2.938 2.008 -2.952) 4.624 10.293 ( 5.092 -5.409 -0.969) 7.492 10.523 ( 0.466 9.377 -8.100) 12.400 10.643 ( 7.846 -1.669 -0.818) 8.063 11.364 ( -5.644 -0.547 -6.911) 8.940 12.655 ( 2.856 -0.030 1.534) 3.242 12.827 ( 4.547 7.068 7.601) 11.332 13.295 ( 2.377 -1.928 -1.170) 3.277 13.530 ( -3.081 -11.105 -0.102) 11.525 13.690 ( -1.089 5.381 3.161) 6.335 14.141 ( 1.169 2.617 1.919) 3.449 14.528 ( -11.872 -0.027 -0.268) 11.875 14.980 ( 9.798 1.223 6.704) 11.935 15.312 ( 2.218 -9.645 11.512) 15.182 15.687 ( 5.730 9.561 -16.166) 19.637 15.752 ( 0.965 3.642 -8.576) 9.367 15.923 ( -9.702 9.084 8.678) 15.873 16.559 ( -2.313 -11.910 -9.309) 15.292 17.076 ( 3.820 -5.377 18.255) 19.410 18.052 ( 3.619 9.805 8.066) 13.202 18.424 ( 5.447 7.103 -2.441) 9.278 18.910 ( -6.684 -8.841 -3.689) 11.682 19.182 ( -13.661 -3.030 -8.576) 16.412 20.603 ( -6.758 -1.694 -3.685) 7.882 22.231 ( 8.058 -1.339 6.103) 10.197 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -29.601 23.759 -7.247) 38.643 1.207 ( -46.353 -27.304 -28.143) 60.713 1.580 ( -60.093 9.454 24.791) 65.690 4.329 ( -3.639 -0.038 0.329) 3.654 5.698 ( -0.986 -1.241 3.692) 4.018 6.502 ( 8.565 11.727 -3.778) 15.005 6.588 ( 2.043 -10.039 -2.060) 10.450 7.344 ( 1.139 -7.573 -39.738) 40.470 7.475 ( -4.004 7.888 47.076) 47.900 8.685 ( 10.045 1.491 -2.182) 10.387 8.857 ( 5.819 -3.560 -2.759) 7.358 9.376 ( -14.123 1.339 -1.291) 14.245 9.578 ( 5.931 -0.351 1.098) 6.042 9.931 ( 8.750 0.255 0.721) 8.783 10.145 ( 4.191 0.159 -1.570) 4.479 10.304 ( 2.362 -0.644 -0.255) 2.461 10.435 ( 1.000 1.353 -4.309) 4.626 10.875 ( 16.347 -0.668 2.251) 16.515 11.212 ( -8.398 -0.025 0.611) 8.420 12.661 ( 0.123 -0.564 -3.432) 3.481 13.038 ( 0.098 4.370 9.090) 10.087 13.146 ( -5.275 -4.228 -4.462) 8.100 13.576 ( 7.525 -2.770 3.732) 8.845 13.751 ( -0.524 5.564 0.430) 5.605 14.156 ( 1.579 -5.238 -1.738) 5.740 14.324 ( -14.143 2.338 -3.978) 14.877 15.204 ( 4.806 4.404 4.762) 8.073 15.364 ( 5.771 -5.204 -1.319) 7.882 15.653 ( 5.105 0.870 -0.217) 5.184 15.693 ( 2.570 0.525 -1.873) 3.223 15.897 ( -6.967 0.111 -10.701) 12.769 16.416 ( -5.382 -0.192 7.941) 9.595 17.366 ( 5.035 -0.468 7.574) 9.107 18.147 ( 9.544 0.767 -6.729) 11.703 18.543 ( 2.248 1.086 -1.218) 2.778 18.739 ( -6.924 -2.767 2.270) 7.794 18.894 ( -13.610 1.328 -1.066) 13.716 20.502 ( -4.129 -0.001 -0.261) 4.138 22.381 ( 5.062 0.012 2.277) 5.550 ======================= Grid point 22 (16/172) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -8.027 5.481 24.265) 26.140 2.063 ( 25.372 31.337 33.428) 52.375 2.849 ( -35.726 17.962 38.347) 55.403 4.512 ( 2.480 -0.433 6.863) 7.310 5.538 ( -3.192 -0.371 -5.245) 6.152 5.846 ( -5.825 11.092 -19.175) 22.905 6.276 ( 2.027 -6.034 0.645) 6.398 6.747 ( -3.280 8.513 0.598) 9.143 7.971 ( 11.952 -16.273 -7.102) 21.403 8.787 ( 0.216 -8.287 -2.354) 8.617 9.063 ( -5.074 2.624 -3.334) 6.614 9.453 ( 9.257 -12.431 8.229) 17.548 9.684 ( 10.645 -5.886 -4.056) 12.822 9.884 ( -5.339 -8.071 4.646) 10.735 10.214 ( 0.397 -3.333 -1.113) 3.536 10.321 ( -2.895 -1.467 -3.517) 4.786 10.709 ( -5.864 1.549 4.480) 7.540 10.765 ( 4.104 9.284 6.131) 11.858 11.774 ( 0.991 1.783 20.854) 20.953 12.324 ( -1.589 6.095 -12.398) 13.906 12.765 ( 1.957 -4.334 -6.987) 8.452 13.101 ( -6.089 4.332 -5.463) 9.256 13.556 ( 11.453 -0.181 -12.679) 17.086 13.713 ( 2.733 -9.463 3.375) 10.412 14.120 ( -0.588 7.917 1.062) 8.010 14.180 ( -13.484 2.750 -11.579) 17.985 14.858 ( 1.707 -5.766 -3.235) 6.828 15.164 ( 4.679 -1.933 -1.998) 5.442 15.583 ( 0.740 9.749 -7.915) 12.579 16.121 ( -0.087 -3.665 7.983) 8.785 16.170 ( 4.326 -6.233 1.526) 7.739 16.388 ( -4.665 5.337 -1.163) 7.183 16.792 ( -7.155 7.453 -0.002) 10.332 17.751 ( 11.017 0.671 -11.405) 15.871 18.168 ( -11.276 7.402 -11.215) 17.542 19.323 ( -1.142 -12.821 17.555) 21.768 19.533 ( 6.643 4.158 18.232) 19.845 20.647 ( -4.908 5.666 6.462) 9.896 22.112 ( 1.556 -6.055 -6.616) 9.102 ======================= Grid point 23 (17/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.388 3.253 28.157) 28.347 2.852 ( -13.050 23.439 29.964) 40.218 3.328 ( 10.256 19.241 34.540) 40.846 4.621 ( 0.316 -1.455 4.456) 4.698 5.471 ( 6.076 3.332 -8.275) 10.793 5.573 ( -4.507 6.861 -17.472) 19.305 6.264 ( -2.706 -7.591 8.230) 11.519 6.810 ( -0.865 7.895 1.884) 8.162 7.918 ( 9.106 -7.514 -9.788) 15.336 8.640 ( -1.328 -15.138 -3.465) 15.587 8.954 ( -5.958 -3.301 1.464) 6.967 9.507 ( 9.928 -20.078 -3.043) 22.605 9.724 ( 4.596 -4.691 1.666) 6.776 9.743 ( -11.588 -9.495 -2.573) 15.201 10.102 ( -3.641 -7.865 -3.060) 9.192 10.302 ( 0.276 6.721 6.112) 9.089 10.741 ( -5.809 4.871 6.125) 9.746 10.996 ( 7.548 11.522 3.327) 14.171 12.017 ( -1.306 2.560 1.291) 3.151 12.189 ( -7.709 -2.339 5.533) 9.773 12.658 ( 5.773 -1.119 -6.342) 8.649 13.054 ( 2.389 4.412 -6.324) 8.073 13.373 ( -3.420 -4.968 -19.197) 20.122 13.699 ( 2.564 -5.905 -2.806) 7.022 13.942 ( 3.674 5.018 -10.130) 11.887 14.227 ( -1.566 10.741 5.440) 12.142 14.810 ( 1.557 -3.808 -2.088) 4.614 15.222 ( 2.242 0.558 2.537) 3.431 15.435 ( -10.982 3.190 -5.447) 12.667 16.058 ( 3.986 -8.822 -1.892) 9.864 16.291 ( -2.057 1.234 8.644) 8.970 16.409 ( 0.270 5.785 -5.113) 7.726 16.823 ( 2.137 11.381 -1.213) 11.643 17.755 ( 6.925 3.266 -7.587) 10.779 17.966 ( -6.090 4.787 -5.909) 9.743 19.424 ( -1.885 -14.832 13.530) 20.164 19.891 ( 2.938 2.516 18.653) 19.050 20.731 ( -3.400 5.241 6.967) 9.358 21.986 ( 2.753 -7.343 -8.444) 11.524 ======================= Grid point 24 (18/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 1.020 5.859 24.570) 25.279 3.162 ( -25.855 15.831 31.445) 43.679 4.024 ( 12.722 8.441 14.676) 21.177 4.613 ( 1.705 -0.234 0.369) 1.760 5.359 ( -5.144 6.060 -9.563) 12.435 5.549 ( 13.713 6.040 -2.672) 15.221 6.371 ( 2.832 -3.440 11.862) 12.671 6.859 ( -2.119 3.099 0.849) 3.849 7.747 ( -4.429 -0.514 -13.102) 13.840 8.457 ( 2.818 -19.961 -5.425) 20.876 8.953 ( -1.949 -5.079 8.855) 10.392 9.400 ( 9.515 -19.064 -7.647) 22.637 9.440 ( -11.975 -10.375 -4.677) 16.520 9.720 ( -1.490 -2.468 -0.751) 2.979 10.001 ( 1.753 -12.026 1.285) 12.221 10.545 ( 1.356 11.991 12.402) 17.304 10.775 ( -4.054 3.295 2.659) 5.862 11.188 ( 5.842 12.283 -2.217) 13.781 11.855 ( -2.813 1.494 -12.819) 13.208 12.200 ( -5.841 -5.441 8.902) 11.957 12.785 ( -0.324 -3.941 -5.802) 7.022 12.841 ( -0.255 -1.949 -5.231) 5.588 13.052 ( -0.114 -3.142 -11.466) 11.889 13.698 ( 4.596 7.063 -2.945) 8.926 13.964 ( 13.239 5.188 -10.914) 17.925 14.363 ( -4.207 5.454 8.556) 10.984 14.785 ( 2.116 0.005 -1.886) 2.834 15.191 ( -12.011 5.229 -0.742) 13.121 15.376 ( 2.013 -3.064 5.481) 6.594 16.016 ( 1.559 -7.515 -1.375) 7.797 16.324 ( -1.722 3.573 -3.584) 5.346 16.417 ( 0.278 5.380 2.193) 5.817 16.911 ( 4.250 10.339 -4.652) 12.108 17.726 ( -5.930 4.917 -0.394) 7.714 17.932 ( 7.690 2.769 -5.628) 9.923 19.451 ( -2.641 -15.558 9.746) 18.547 20.157 ( -6.509 3.197 17.074) 18.551 20.852 ( 3.695 2.455 6.501) 7.871 21.820 ( 1.648 -8.197 -10.656) 13.544 ======================= Grid point 25 (19/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -3.652 10.083 13.642) 17.352 3.339 ( -29.563 9.537 27.547) 41.518 4.077 ( -3.040 -6.064 -2.342) 7.177 4.822 ( 11.853 2.912 3.726) 12.762 5.242 ( -7.142 6.630 -1.585) 9.873 5.807 ( 16.245 7.476 3.360) 18.195 6.598 ( 5.828 -0.402 11.696) 13.074 6.787 ( -4.447 -3.552 -5.001) 7.577 7.513 ( -8.615 2.946 -5.764) 10.776 8.276 ( 4.356 -17.040 -5.798) 18.519 8.990 ( -3.833 -5.005 2.704) 6.859 9.227 ( 3.972 -10.136 -3.095) 11.318 9.293 ( 1.947 -14.787 -1.286) 14.970 9.683 ( 0.119 -0.506 -0.439) 0.681 9.981 ( 4.837 -12.435 1.653) 13.445 10.711 ( -7.989 -1.479 3.948) 9.033 10.803 ( -0.975 9.463 2.647) 9.875 11.224 ( 1.173 9.423 -9.691) 13.568 11.685 ( 1.082 5.126 -13.026) 14.041 12.273 ( -1.113 0.390 6.972) 7.071 12.355 ( -3.859 -6.576 -12.241) 14.421 12.863 ( -1.268 -3.749 -9.179) 9.996 13.125 ( 9.509 -0.462 12.498) 15.711 13.810 ( 7.105 8.900 -0.709) 11.410 14.003 ( 11.443 7.686 -11.783) 18.134 14.399 ( -8.355 -7.719 8.048) 13.935 14.833 ( 3.359 8.453 -0.662) 9.120 15.093 ( -10.219 3.771 2.821) 11.252 15.480 ( 1.117 -0.094 6.489) 6.585 15.962 ( 0.482 -6.139 -0.038) 6.158 16.251 ( -2.697 3.544 -6.142) 7.587 16.512 ( 3.839 3.806 2.121) 5.807 16.936 ( 2.544 7.342 -6.735) 10.283 17.704 ( -8.875 5.524 5.654) 11.885 17.990 ( 10.809 3.360 -6.530) 13.068 19.418 ( -3.606 -14.634 6.659) 16.477 20.237 ( -16.699 3.271 11.145) 20.341 21.067 ( 12.227 -0.579 8.079) 14.667 21.600 ( -0.494 -8.352 -12.369) 14.933 ======================= Grid point 26 (20/172) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -13.440 12.207 -3.298) 18.453 3.349 ( -34.388 6.516 24.248) 42.579 4.024 ( -1.095 -6.731 4.015) 7.914 4.861 ( -1.086 -4.158 -7.804) 8.909 5.265 ( 0.868 7.756 3.831) 8.694 6.115 ( 11.987 5.874 6.277) 14.751 6.493 ( -11.806 -8.081 -6.860) 15.866 6.910 ( 12.187 -0.737 9.735) 15.615 7.414 ( -7.909 3.944 0.872) 8.881 8.187 ( 7.865 -11.603 -2.153) 14.182 8.936 ( 1.619 -1.690 -0.487) 2.391 9.181 ( 4.433 -13.636 -4.695) 15.087 9.231 ( 1.384 -4.847 1.651) 5.305 9.707 ( 4.074 -0.220 -0.108) 4.081 9.986 ( 6.373 -10.824 1.300) 12.628 10.556 ( -11.120 -8.073 -1.725) 13.849 10.797 ( -5.734 7.952 -7.139) 12.128 11.121 ( -3.761 4.865 -8.931) 10.843 11.525 ( 2.203 6.750 -15.936) 17.447 12.260 ( 3.910 7.868 2.384) 9.104 12.429 ( 9.633 -2.348 -2.813) 10.306 12.772 ( 0.008 -1.114 4.115) 4.263 13.370 ( 5.013 -0.649 8.656) 10.024 13.978 ( 14.319 -3.117 0.027) 14.655 14.040 ( 3.732 14.000 -5.714) 15.575 14.300 ( -9.311 -11.825 5.628) 16.069 14.940 ( 0.948 12.426 -0.703) 12.482 15.065 ( -7.384 0.583 6.832) 10.077 15.570 ( -0.527 4.263 2.800) 5.127 15.960 ( 1.795 -5.385 3.977) 6.931 16.131 ( -4.157 1.958 -7.134) 8.486 16.618 ( 6.124 1.448 0.907) 6.357 16.891 ( 0.706 2.988 -7.459) 8.066 17.755 ( -8.544 7.459 10.416) 15.399 18.057 ( 10.802 4.504 -7.147) 13.713 19.345 ( -4.834 -12.558 4.695) 14.252 20.124 ( -19.350 0.901 3.560) 19.695 21.301 ( -5.203 -4.607 -1.560) 7.122 21.394 ( 16.296 -4.425 -1.625) 16.964 ======================= Grid point 27 (21/172) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -22.809 13.658 -12.275) 29.283 3.289 ( -39.146 8.501 23.307) 46.346 3.948 ( -8.425 -11.787 -2.973) 14.790 4.579 ( -8.962 -8.079 -9.895) 15.604 5.480 ( 9.720 7.937 6.907) 14.324 6.199 ( -10.945 -6.839 -3.983) 13.507 6.369 ( 7.960 2.781 6.753) 10.803 7.187 ( 11.527 -2.311 7.787) 14.101 7.354 ( -8.792 3.026 2.446) 9.615 8.225 ( 10.810 -7.622 -0.729) 13.247 8.998 ( 3.398 -6.896 -2.026) 7.950 9.080 ( 3.735 3.890 -0.155) 5.395 9.243 ( 7.155 -5.067 -2.327) 9.071 9.766 ( 7.964 1.350 -3.345) 8.743 10.025 ( 7.394 -9.561 2.286) 12.300 10.306 ( -12.441 -8.642 -1.967) 15.276 10.628 ( -6.124 6.801 -10.927) 14.253 10.940 ( -7.447 3.560 -9.630) 12.683 11.454 ( 4.954 6.060 -7.950) 11.156 12.416 ( 9.320 -4.273 -8.275) 13.175 12.483 ( 6.426 12.371 6.203) 15.258 12.925 ( 6.438 1.405 5.816) 8.789 13.523 ( 2.295 -0.339 8.381) 8.696 14.023 ( 4.549 -4.842 -7.404) 9.948 14.069 ( -5.279 -9.986 6.146) 12.860 14.334 ( 7.478 7.877 6.168) 12.491 14.959 ( -6.940 10.785 -2.944) 13.158 15.139 ( -0.245 -2.012 9.990) 10.193 15.608 ( 1.163 6.431 -3.400) 7.367 15.972 ( -2.671 -1.320 -8.726) 9.221 16.028 ( -2.724 0.221 7.463) 7.947 16.723 ( 7.397 -1.302 2.493) 7.914 16.786 ( -1.220 -2.525 -6.655) 7.222 17.885 ( -4.593 8.588 9.423) 13.551 18.134 ( 8.705 6.568 -3.807) 11.550 19.249 ( -6.918 -9.851 3.541) 12.548 19.882 ( -17.932 -2.307 -3.086) 18.341 21.038 ( -7.623 -5.282 -9.664) 13.395 21.683 ( 15.298 -1.517 8.070) 17.362 ======================= Grid point 28 (22/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -28.073 18.147 -12.249) 35.601 3.100 ( -42.182 3.474 10.888) 43.703 3.430 ( -32.364 -18.272 -10.067) 38.505 4.412 ( -1.864 -2.242 0.143) 2.919 5.720 ( 7.388 -5.757 4.429) 10.360 6.072 ( -2.467 11.046 0.905) 11.354 6.546 ( 4.836 -3.489 4.772) 7.637 7.326 ( -10.765 12.998 9.391) 19.314 7.378 ( 11.874 -11.159 -0.416) 16.300 8.305 ( 11.640 -5.537 -1.223) 12.948 8.851 ( -0.356 -5.157 -7.988) 9.515 9.267 ( 9.188 -3.838 -2.672) 10.310 9.330 ( 12.637 9.526 4.148) 16.360 9.802 ( 6.138 3.769 -8.368) 11.041 10.087 ( 3.151 -8.622 0.888) 9.223 10.119 ( -3.548 -7.871 5.439) 10.204 10.483 ( -2.881 7.085 -6.760) 10.208 10.732 ( -7.781 2.946 -8.433) 11.846 11.448 ( -0.117 2.339 -2.699) 3.574 12.412 ( 11.296 -3.705 -6.224) 13.419 12.754 ( 6.926 12.471 6.673) 15.748 13.070 ( 8.722 2.216 0.065) 8.999 13.660 ( -0.350 -5.033 8.662) 10.024 13.817 ( -8.570 -12.703 -1.545) 15.401 14.094 ( 2.876 0.863 -0.218) 3.010 14.612 ( 9.465 6.448 8.089) 14.022 14.865 ( -7.351 6.970 -5.691) 11.619 15.279 ( 1.358 -5.938 11.776) 13.258 15.590 ( 2.160 7.161 -8.830) 11.572 15.783 ( -3.122 -1.454 -10.552) 11.100 16.100 ( -4.219 3.695 5.512) 7.863 16.630 ( -3.570 -4.255 -5.339) 7.704 16.903 ( 8.484 -3.945 11.038) 14.470 17.970 ( 4.264 5.834 -5.674) 9.188 18.300 ( 2.803 8.530 8.417) 12.307 19.124 ( -10.060 -6.870 2.525) 12.440 19.564 ( -15.763 -3.941 -7.367) 17.840 20.792 ( -7.497 -2.746 -6.301) 10.171 21.965 ( 12.490 -0.484 7.365) 14.507 ======================= Grid point 29 (23/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -29.680 22.190 -7.444) 37.799 2.316 ( -40.284 -25.900 -24.563) 53.824 2.998 ( -50.916 8.089 22.328) 56.182 4.404 ( -1.402 -1.193 1.509) 2.380 5.741 ( -0.965 -6.564 5.039) 8.331 6.262 ( 7.672 20.035 -2.757) 21.630 6.537 ( 1.847 -9.826 -3.819) 10.703 7.266 ( 4.725 -13.291 -16.342) 21.587 7.610 ( -5.349 16.440 26.978) 32.042 8.412 ( 12.697 -4.488 0.260) 13.470 8.717 ( 3.230 -4.914 -8.155) 10.054 9.324 ( 9.681 1.155 -3.540) 10.373 9.586 ( 11.516 -3.049 -0.591) 11.927 9.755 ( -3.074 11.882 -1.108) 12.324 10.046 ( 2.157 -5.389 0.290) 5.812 10.208 ( 5.062 -3.579 4.735) 7.801 10.425 ( -0.228 3.658 -9.361) 10.053 10.625 ( -0.916 -0.190 5.262) 5.344 11.404 ( -5.456 0.135 1.115) 5.571 12.455 ( 12.144 -2.062 -5.995) 13.700 13.023 ( 6.007 11.716 6.204) 14.555 13.187 ( 5.605 -1.924 0.133) 5.928 13.533 ( -7.275 -14.275 1.929) 16.138 13.784 ( -0.818 5.701 1.983) 6.091 14.095 ( 2.566 -5.357 -3.639) 6.966 14.655 ( -11.623 2.258 -5.024) 12.862 14.945 ( 12.642 10.126 3.685) 16.611 15.376 ( -2.761 -13.936 6.758) 15.733 15.537 ( 2.144 7.439 -5.526) 9.512 15.629 ( 2.098 -0.688 -4.659) 5.156 16.044 ( -4.648 1.622 -10.953) 12.009 16.567 ( -6.009 -1.201 10.196) 11.896 17.177 ( 9.435 -1.754 11.350) 14.863 17.931 ( 7.426 2.143 -12.493) 14.691 18.487 ( 1.809 0.931 3.934) 4.429 18.985 ( -12.235 -2.400 5.096) 13.470 19.252 ( -14.101 0.903 -6.128) 15.401 20.639 ( -6.232 0.001 -1.431) 6.395 22.193 ( 9.636 0.083 4.257) 10.535 ======================= Grid point 30 (24/172) ======================= q-point: (-0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -29.341 13.330 1.961) 32.286 1.294 ( -40.577 -10.708 -13.085) 43.958 2.789 ( -50.508 12.900 27.706) 59.034 4.392 ( -2.639 -1.379 2.347) 3.791 5.787 ( -2.923 -0.717 6.372) 7.047 6.295 ( 5.973 1.568 -16.186) 17.324 6.439 ( 1.087 9.024 -14.615) 17.210 6.897 ( -6.955 -9.709 -11.901) 16.860 8.089 ( 1.862 -0.466 21.619) 21.704 8.578 ( 12.723 -3.136 3.858) 13.660 8.679 ( 11.213 1.957 0.050) 11.383 9.416 ( 2.765 3.768 -0.846) 4.750 9.534 ( 3.330 -5.095 -3.932) 7.247 9.906 ( -0.470 1.730 7.399) 7.613 10.070 ( 6.348 0.602 -0.615) 6.406 10.282 ( 4.398 6.928 -7.917) 11.403 10.355 ( 3.210 -2.408 4.869) 6.310 10.764 ( 4.424 -5.337 7.832) 10.459 11.382 ( -6.273 -0.152 7.610) 9.863 12.497 ( 9.282 1.502 -7.883) 12.270 13.049 ( -3.950 -10.480 -6.649) 13.025 13.257 ( 0.342 7.425 7.206) 10.352 13.530 ( 4.629 -4.187 2.852) 6.862 13.820 ( -6.979 2.926 -0.587) 7.590 14.000 ( 7.402 -4.127 -5.456) 10.080 14.455 ( -10.389 5.033 -3.982) 12.211 15.173 ( -0.283 -6.220 -3.848) 7.320 15.239 ( 9.342 11.788 -6.451) 16.366 15.592 ( 0.889 -9.741 -3.186) 10.287 15.693 ( 4.885 -0.789 7.564) 9.039 15.812 ( -4.023 3.494 -2.182) 5.758 16.691 ( -5.628 1.697 13.521) 14.743 17.246 ( -2.211 -1.411 -13.515) 13.767 17.919 ( 11.965 -4.447 -5.945) 14.081 18.425 ( 0.507 -5.329 -3.838) 6.586 18.978 ( -10.876 4.743 7.553) 14.065 19.107 ( -8.013 5.865 5.867) 11.533 20.584 ( -5.411 2.414 2.313) 6.361 22.302 ( 5.310 -1.711 -2.534) 6.127 ======================= Grid point 32 (25/172) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -4.950 6.373 19.111) 20.744 2.424 ( 20.862 23.180 28.881) 42.505 3.813 ( -20.634 10.487 24.583) 33.765 4.569 ( -1.294 -0.151 7.349) 7.463 5.428 ( 0.129 -2.046 -17.527) 17.647 5.755 ( -9.295 7.152 -5.965) 13.158 6.336 ( -2.892 0.183 7.316) 7.869 6.867 ( -3.417 7.857 1.373) 8.677 7.590 ( 12.316 -14.887 -7.808) 20.840 8.665 ( 2.399 -10.940 -2.877) 11.564 9.040 ( 0.508 -3.583 -3.557) 5.074 9.346 ( 0.711 -14.691 -5.949) 15.866 9.456 ( 10.762 -0.016 6.393) 12.518 10.045 ( -5.887 -3.252 -2.412) 7.145 10.174 ( 0.493 0.416 5.534) 5.571 10.246 ( 0.514 -4.533 -0.802) 4.632 10.796 ( 4.675 8.851 5.527) 11.434 10.969 ( -8.590 1.455 5.847) 10.492 12.016 ( 3.078 1.169 12.854) 13.269 12.182 ( 6.344 6.671 -8.304) 12.398 12.702 ( -6.925 -4.498 -0.741) 8.291 12.982 ( 13.863 -1.742 -14.019) 19.793 13.269 ( -8.297 -0.767 -13.252) 15.654 13.666 ( -0.667 -6.176 -0.457) 6.229 14.185 ( -13.143 -0.888 -11.010) 17.168 14.235 ( 0.762 11.400 3.879) 12.066 14.783 ( 0.757 -2.494 -0.925) 2.765 15.070 ( 7.876 1.787 -0.008) 8.077 15.543 ( 3.853 8.322 -2.690) 9.556 16.007 ( 1.278 -8.239 -3.784) 9.156 16.237 ( 2.522 -1.871 6.061) 6.826 16.522 ( -7.940 5.445 2.115) 9.857 16.916 ( -7.526 7.998 -4.084) 11.717 17.502 ( 9.575 -2.491 -3.556) 10.513 18.207 ( -9.237 6.899 -8.839) 14.527 19.457 ( 0.279 -14.985 14.118) 20.590 19.673 ( 10.176 5.406 11.561) 16.323 20.901 ( -7.630 8.033 9.801) 14.792 21.925 ( 1.677 -9.446 -8.306) 12.689 ======================= Grid point 33 (26/172) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.719 3.635 24.204) 24.486 3.255 ( 23.333 21.631 21.089) 38.171 4.002 ( -16.737 7.696 22.928) 29.412 4.655 ( -0.780 -2.385 5.405) 5.960 5.186 ( 5.725 1.918 -16.863) 17.911 5.638 ( -11.245 9.728 0.394) 14.874 6.402 ( -4.037 -3.249 10.217) 11.456 6.921 ( -2.566 6.741 2.275) 7.563 7.567 ( 14.098 -9.329 -8.383) 18.870 8.503 ( -3.410 -15.028 -4.447) 16.039 8.982 ( 2.297 -4.803 -1.444) 5.516 9.168 ( 3.205 -18.859 -3.773) 19.498 9.628 ( 6.731 -7.087 4.343) 10.696 9.779 ( -10.378 -8.884 -10.541) 17.255 10.076 ( -7.391 -9.856 0.285) 12.323 10.457 ( 5.946 9.275 13.691) 17.574 10.948 ( -7.423 6.016 1.674) 9.701 10.998 ( 7.034 11.347 0.604) 13.364 11.946 ( -2.238 4.338 -13.013) 13.898 12.437 ( -8.144 -5.362 11.081) 14.760 12.519 ( 6.101 -0.862 0.624) 6.193 12.909 ( 8.342 -5.440 -18.271) 20.808 13.022 ( -0.537 -2.887 -10.250) 10.662 13.613 ( 2.135 4.895 -4.965) 7.292 13.887 ( -9.734 0.106 -6.055) 11.464 14.419 ( -0.081 14.057 6.633) 15.543 14.760 ( 0.068 -1.528 -1.035) 1.847 15.215 ( 7.314 -0.228 4.721) 8.708 15.512 ( -7.713 2.575 -3.789) 8.971 15.908 ( 3.948 -5.601 -3.247) 7.583 16.310 ( 3.088 -1.657 -0.177) 3.509 16.547 ( -7.460 7.765 4.748) 11.768 16.859 ( -1.520 12.389 -5.608) 13.684 17.582 ( 9.399 -0.949 -1.086) 9.509 18.038 ( -8.516 6.160 -4.681) 11.506 19.507 ( -1.500 -15.666 10.375) 18.850 20.034 ( 12.807 1.994 13.152) 18.465 20.988 ( -10.355 7.000 9.294) 15.575 21.747 ( 3.045 -11.399 -9.768) 15.317 ======================= Grid point 34 (27/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 0.994 5.886 21.390) 22.207 3.854 ( 4.098 16.033 16.427) 23.317 4.094 ( -4.880 -3.108 4.200) 7.149 4.627 ( -4.459 -2.181 4.138) 6.462 5.263 ( 15.312 8.214 0.779) 17.393 5.615 ( -10.862 11.785 4.551) 16.661 6.502 ( -0.729 -2.347 11.299) 11.563 6.924 ( -4.565 1.328 -0.994) 4.857 7.529 ( 8.967 -3.427 -10.664) 14.349 8.264 ( -5.037 -17.063 -3.410) 18.114 8.963 ( 10.583 -12.510 -7.381) 17.971 9.081 ( -1.262 -11.006 6.595) 12.893 9.426 ( -8.186 -13.754 -6.206) 17.167 9.671 ( 2.555 -5.092 -0.790) 5.752 9.933 ( -2.904 -11.847 1.081) 12.246 10.815 ( 1.894 11.510 15.028) 19.024 10.916 ( -6.629 5.914 0.137) 8.884 11.120 ( 5.277 11.420 -6.956) 14.375 11.735 ( -4.370 2.356 -12.668) 13.606 12.238 ( -2.346 -5.128 -5.986) 8.224 12.565 ( -4.830 -9.156 -20.251) 22.743 12.791 ( 7.226 -6.816 2.514) 10.247 12.937 ( 4.532 1.565 5.466) 7.270 13.696 ( 3.826 14.464 -1.220) 15.011 13.760 ( 1.627 3.493 -6.691) 7.722 14.577 ( -5.151 -0.147 8.646) 10.065 14.761 ( 1.980 8.870 -1.101) 9.155 15.342 ( -6.959 1.669 1.101) 7.241 15.395 ( 3.647 -4.628 5.354) 7.962 15.895 ( 4.355 -3.228 -3.284) 6.339 16.291 ( -0.524 3.240 -4.347) 5.447 16.569 ( -6.494 6.955 3.152) 10.024 16.871 ( 1.748 10.408 -5.772) 12.029 17.681 ( 8.916 0.274 -1.275) 9.011 17.957 ( -6.894 6.259 0.883) 9.353 19.500 ( -2.472 -15.204 8.001) 17.358 20.391 ( 9.833 1.373 14.045) 17.200 20.981 ( -10.794 3.118 2.879) 11.598 21.565 ( 3.399 -11.380 -9.124) 14.977 ======================= Grid point 35 (28/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -6.000 10.912 10.014) 15.980 3.954 ( -2.175 -8.335 -2.835) 9.069 4.132 ( -15.589 7.922 19.934) 26.517 4.712 ( 9.196 -2.710 0.490) 9.599 5.455 ( -9.647 10.796 5.060) 15.338 5.758 ( 10.397 10.151 7.498) 16.351 6.679 ( 4.716 0.073 9.317) 10.443 6.774 ( -8.831 -4.408 -4.912) 11.024 7.471 ( 5.565 0.740 -7.955) 9.737 8.075 ( -1.738 -14.967 0.574) 15.079 8.871 ( 8.857 -13.687 -6.820) 17.672 9.027 ( -2.200 -7.430 -2.628) 8.182 9.291 ( -1.195 -10.989 5.236) 12.231 9.634 ( 2.034 -4.748 -1.126) 5.287 9.869 ( 2.232 -10.918 1.598) 11.258 10.851 ( -10.275 0.824 1.406) 10.403 10.981 ( -8.224 5.674 1.170) 10.060 11.114 ( 2.957 11.588 -10.440) 15.875 11.557 ( -3.133 4.978 -10.838) 12.332 12.092 ( 7.587 -8.679 -10.615) 15.671 12.288 ( 1.922 2.582 -8.331) 8.931 12.759 ( 1.284 -4.543 0.695) 4.772 13.220 ( 7.997 0.551 12.983) 15.258 13.699 ( 4.363 -2.952 -3.949) 6.584 13.897 ( 6.569 23.205 -3.630) 24.389 14.517 ( -7.411 -15.518 5.369) 18.015 14.905 ( 0.850 15.912 2.438) 16.120 15.261 ( -7.188 -1.096 3.563) 8.097 15.543 ( 4.032 0.561 5.664) 6.976 15.866 ( 3.865 -5.047 -2.845) 6.964 16.238 ( -2.702 6.155 -4.809) 8.265 16.576 ( -3.483 4.725 0.986) 5.952 16.868 ( 1.160 6.105 -5.806) 8.505 17.766 ( 8.787 1.043 -3.481) 9.509 17.981 ( -6.214 8.109 6.694) 12.214 19.463 ( -3.881 -12.791 6.994) 15.086 20.604 ( -14.398 1.128 9.188) 17.117 20.935 ( 14.147 -3.229 -3.325) 14.887 21.408 ( -1.169 -7.904 -4.691) 9.265 ======================= Grid point 36 (29/172) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -16.975 14.916 -3.138) 22.814 3.872 ( -2.524 -9.284 3.726) 10.318 4.246 ( -18.601 3.530 19.583) 27.239 4.709 ( 1.264 -7.726 -6.207) 9.990 5.451 ( -9.888 11.703 4.233) 15.895 6.093 ( 12.433 7.516 6.313) 15.840 6.493 ( -11.492 -5.569 -5.585) 13.938 6.920 ( 8.267 -1.117 9.465) 12.616 7.442 ( 4.718 2.074 -6.958) 8.659 8.024 ( 2.326 -11.588 4.616) 12.689 8.848 ( 7.417 -2.294 -1.431) 7.895 8.939 ( 5.769 -13.148 -1.245) 14.412 9.216 ( -2.625 -3.154 -5.407) 6.788 9.646 ( 2.674 -5.360 1.850) 6.269 9.863 ( 4.487 -7.726 1.322) 9.032 10.670 ( -16.087 -8.602 1.266) 18.287 10.833 ( -9.590 6.647 -7.638) 13.946 11.095 ( -0.696 9.696 -7.492) 12.273 11.344 ( -1.030 3.741 -12.827) 13.401 12.147 ( 12.359 -3.103 -1.211) 12.801 12.270 ( 9.414 5.665 -7.583) 13.349 12.820 ( 2.512 0.096 5.390) 5.948 13.467 ( 3.899 0.350 9.954) 10.696 13.711 ( 11.018 -2.735 -4.771) 12.314 14.099 ( 4.437 18.878 0.138) 19.393 14.368 ( -6.623 -18.879 5.099) 20.647 15.045 ( -1.170 14.330 1.363) 14.443 15.241 ( -6.000 -2.660 6.616) 9.319 15.611 ( -0.546 5.038 -2.877) 5.827 15.867 ( 6.797 -7.405 -1.031) 10.104 16.186 ( -5.571 5.808 -0.057) 8.048 16.590 ( 1.554 2.128 -0.075) 2.636 16.821 ( -0.956 1.526 -4.559) 4.901 17.815 ( 8.139 1.950 -6.208) 10.420 18.106 ( -4.626 9.480 10.782) 15.083 19.424 ( -6.260 -8.631 7.563) 13.072 20.354 ( -18.584 -4.714 -6.225) 20.158 21.082 ( 9.413 -4.613 -6.286) 12.223 21.360 ( 4.536 -1.838 7.137) 8.654 ======================= Grid point 37 (30/172) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -24.583 17.689 -7.298) 31.153 3.745 ( -9.560 -14.131 -4.850) 17.737 4.246 ( -27.623 2.655 17.490) 32.802 4.511 ( -5.936 -8.635 -3.646) 11.095 5.532 ( 1.736 8.621 2.580) 9.164 6.227 ( -4.287 1.351 -1.794) 4.839 6.406 ( 3.052 2.686 6.134) 7.359 7.114 ( 9.022 -7.666 4.351) 12.613 7.438 ( 4.193 7.758 -3.951) 9.663 8.066 ( 4.745 -10.414 5.242) 12.587 8.854 ( 2.010 -9.656 -3.399) 10.432 9.033 ( 10.874 2.211 2.901) 11.469 9.094 ( 3.839 3.794 -7.822) 9.504 9.631 ( 2.242 -2.561 -4.224) 5.424 9.916 ( 6.309 -5.481 3.105) 8.915 10.422 ( -13.897 -9.321 2.059) 16.859 10.662 ( -10.773 6.072 -3.900) 12.966 10.951 ( -8.782 5.469 -8.045) 13.106 11.350 ( 7.491 5.055 -1.503) 9.161 12.164 ( 8.007 -2.244 -7.258) 11.038 12.432 ( 16.314 3.932 -2.223) 16.928 12.936 ( 3.251 3.803 3.196) 5.937 13.628 ( 2.225 -1.780 8.135) 8.619 13.772 ( 11.199 -1.751 -5.868) 12.764 14.154 ( -7.221 -17.757 6.676) 20.298 14.378 ( 7.427 12.989 2.056) 15.103 15.085 ( -7.382 14.225 -4.487) 16.642 15.274 ( -1.976 -7.058 10.894) 13.130 15.563 ( -0.088 4.057 -6.063) 7.296 15.818 ( 1.941 -4.232 -8.230) 9.455 16.196 ( -4.410 3.238 3.627) 6.564 16.671 ( 4.557 2.590 2.793) 5.939 16.754 ( -1.265 -4.132 1.168) 4.477 17.817 ( 6.946 2.522 -9.079) 11.706 18.295 ( -1.577 7.825 11.080) 13.656 19.393 ( -10.372 -3.677 8.682) 14.017 19.962 ( -15.114 -6.248 -11.629) 20.067 20.951 ( -4.376 -3.030 -6.725) 8.577 21.625 ( 13.442 0.183 8.867) 16.104 ======================= Grid point 38 (31/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -28.251 20.579 -6.720) 35.592 3.197 ( -27.861 -22.383 -16.782) 39.483 4.120 ( -35.691 4.482 17.310) 39.920 4.403 ( -0.220 -5.743 0.573) 5.776 5.646 ( 6.738 -0.012 0.512) 6.758 6.235 ( -4.022 13.903 3.382) 14.863 6.496 ( 1.088 -1.957 -0.646) 2.331 7.117 ( 6.662 -13.053 -6.178) 15.904 7.626 ( 7.828 16.077 7.495) 19.388 8.130 ( 5.430 -11.662 5.675) 14.060 8.703 ( -0.965 -3.708 -9.442) 10.189 9.094 ( 8.683 -0.673 -2.004) 8.937 9.298 ( 10.152 8.718 3.263) 13.773 9.571 ( 7.787 1.849 -10.754) 13.405 10.030 ( 6.403 -1.894 5.121) 8.415 10.268 ( -10.964 -7.419 6.875) 14.917 10.539 ( -9.440 4.082 -1.989) 10.475 10.790 ( -9.436 3.371 -0.871) 10.058 11.450 ( 2.374 0.809 2.173) 3.318 12.163 ( 9.888 -2.093 -5.962) 11.735 12.652 ( 19.696 3.493 -2.068) 20.109 13.063 ( 4.494 6.600 2.622) 8.404 13.676 ( 0.893 -11.362 -1.486) 11.493 13.784 ( 0.892 -1.463 0.852) 1.913 14.039 ( -0.490 -12.364 1.484) 12.463 14.644 ( 10.488 14.177 3.092) 17.903 14.952 ( -12.062 7.925 -6.241) 15.724 15.375 ( 1.005 -11.001 11.232) 15.754 15.524 ( 0.994 4.318 -3.742) 5.800 15.644 ( -2.271 -1.461 -10.979) 11.306 16.155 ( -4.608 2.632 -5.607) 7.720 16.702 ( -4.348 -2.225 7.517) 8.964 16.922 ( 10.035 -1.627 10.678) 14.744 17.764 ( 5.781 2.220 -11.773) 13.302 18.456 ( 0.775 0.703 5.487) 5.585 19.341 ( -15.309 -0.374 8.264) 17.401 19.589 ( -12.107 -0.917 -10.397) 15.985 20.798 ( -6.028 0.167 -2.782) 6.641 21.903 ( 12.855 0.193 5.641) 14.040 ======================= Grid point 39 (32/172) ======================= q-point: (-0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -28.019 20.812 -3.879) 35.118 2.352 ( -39.411 -21.301 -14.576) 47.111 3.923 ( -38.321 5.727 16.728) 42.203 4.403 ( 2.332 -4.079 1.507) 4.935 5.724 ( 7.379 -2.550 -0.192) 7.809 6.323 ( -7.062 14.440 -4.097) 16.588 6.415 ( -0.799 0.987 -4.748) 4.915 6.955 ( 1.620 -12.329 -8.031) 14.802 8.054 ( 17.623 17.681 9.397) 26.674 8.174 ( 1.673 -13.989 5.670) 15.187 8.550 ( 0.884 -1.860 -6.407) 6.729 9.225 ( 8.796 4.424 3.055) 10.309 9.413 ( 4.823 -4.101 -4.090) 7.537 9.651 ( 16.771 11.912 -5.354) 21.256 10.153 ( -3.670 -0.593 6.728) 7.687 10.245 ( -2.520 1.040 5.539) 6.174 10.375 ( -7.750 -2.201 -3.690) 8.862 10.787 ( -5.705 -0.784 11.298) 12.681 11.487 ( -1.363 -2.184 3.898) 4.672 12.212 ( 11.357 -0.032 -5.243) 12.509 12.894 ( 16.030 0.734 -1.401) 16.107 13.209 ( 5.206 3.785 2.311) 6.839 13.514 ( -2.863 -9.704 -3.059) 10.570 13.769 ( 4.211 -5.805 -3.691) 8.066 14.010 ( -1.192 0.804 0.909) 1.701 14.699 ( -8.447 6.074 -9.910) 14.369 14.951 ( 6.863 7.268 5.095) 11.220 15.310 ( -3.739 -14.653 -6.531) 16.473 15.549 ( 0.773 2.541 2.907) 3.938 15.582 ( 3.459 0.508 2.164) 4.112 15.977 ( -7.711 4.180 -8.560) 12.256 16.794 ( -2.398 -2.597 12.481) 12.972 17.161 ( 7.609 -1.874 3.912) 8.759 17.679 ( 6.461 0.163 -10.035) 11.936 18.434 ( -0.672 -8.407 -3.772) 9.239 19.277 ( -12.182 0.734 9.614) 15.536 19.364 ( -12.123 9.047 -5.261) 16.015 20.733 ( -6.032 3.670 2.245) 7.409 22.096 ( 10.557 -1.267 0.443) 10.642 ======================= Grid point 40 (33/172) ======================= q-point: (-0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -33.258 -2.865 -0.293) 33.382 1.751 ( -25.555 13.131 4.971) 29.158 3.756 ( -34.062 7.543 17.965) 39.241 4.434 ( -0.527 -1.753 4.293) 4.667 5.789 ( 12.734 -2.586 -6.976) 14.748 6.116 ( -15.298 -3.295 -4.879) 16.392 6.335 ( -3.749 13.467 -11.963) 18.399 6.855 ( -1.483 -0.767 1.144) 2.024 8.014 ( 4.166 -20.944 -11.373) 24.194 8.498 ( 8.696 4.543 6.861) 11.972 8.665 ( 14.909 13.364 6.983) 21.205 9.319 ( 3.332 -8.570 -4.596) 10.280 9.461 ( 5.333 4.626 5.920) 9.214 9.903 ( 17.487 8.019 -2.454) 19.394 10.115 ( -8.806 -2.746 -1.846) 9.407 10.175 ( -3.888 3.741 2.865) 6.109 10.456 ( 1.989 0.483 10.763) 10.955 10.892 ( -4.483 -3.908 12.948) 14.248 11.535 ( -0.299 -2.888 8.236) 8.733 12.273 ( 9.782 2.783 -7.507) 12.641 12.920 ( -0.265 -8.068 -3.756) 8.903 13.235 ( 5.392 -8.725 -6.926) 12.377 13.467 ( 3.835 7.419 -4.892) 9.679 13.827 ( 12.320 -0.714 3.166) 12.740 13.973 ( -12.274 3.320 0.838) 12.743 14.534 ( -5.133 4.860 -3.829) 8.039 15.019 ( -1.641 -14.761 -7.518) 16.646 15.117 ( 5.457 5.386 -5.709) 9.559 15.490 ( -4.179 1.159 -7.709) 8.845 15.750 ( 6.168 1.398 8.973) 10.978 15.925 ( -1.247 3.688 6.787) 7.824 16.922 ( -2.990 -1.257 10.211) 10.713 17.085 ( -4.702 -3.075 -12.236) 13.464 17.638 ( 7.066 -5.250 -9.689) 13.090 18.352 ( 3.005 -4.180 1.065) 5.257 19.230 ( -11.282 9.218 -0.309) 14.573 19.333 ( -4.909 1.223 10.332) 11.504 20.748 ( -6.713 6.260 5.473) 10.686 22.152 ( 6.464 -4.235 -4.835) 9.116 ======================= Grid point 42 (34/172) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 2.729 4.950 13.283) 14.436 2.663 ( 18.169 12.280 18.161) 28.474 4.108 ( 6.830 0.760 7.336) 10.053 4.829 ( -12.776 1.856 2.352) 13.123 5.183 ( -1.375 -0.496 -6.708) 6.865 5.944 ( -11.519 9.005 2.285) 14.799 6.495 ( -1.727 -1.062 8.349) 8.592 6.985 ( -2.593 9.073 1.414) 9.541 7.252 ( 8.611 -11.710 -5.252) 15.455 8.492 ( 3.758 -10.288 -3.098) 11.382 8.910 ( -0.538 -6.948 -7.188) 10.012 9.217 ( 0.241 -8.081 1.133) 8.163 9.474 ( 0.548 -2.829 4.724) 5.534 9.887 ( 2.713 -2.228 -10.113) 10.705 10.195 ( 4.394 -3.916 3.623) 6.911 10.405 ( -7.705 -0.979 8.891) 11.805 10.840 ( 3.138 5.187 -1.091) 6.160 11.154 ( -6.768 3.468 3.978) 8.582 11.945 ( 1.264 6.046 -16.015) 17.165 12.203 ( 10.540 2.033 15.649) 18.977 12.481 ( 13.724 -4.934 -15.151) 21.030 12.848 ( -8.738 -1.055 3.292) 9.397 13.234 ( -10.467 -4.607 -9.053) 14.585 13.644 ( -7.566 -1.039 -5.326) 9.310 14.198 ( -10.247 -2.979 -5.337) 11.931 14.368 ( 4.555 11.796 6.811) 14.362 14.754 ( 0.782 -0.472 -0.924) 1.300 15.000 ( 7.757 3.277 1.950) 8.644 15.521 ( 5.081 5.121 0.458) 7.228 15.903 ( -1.394 -5.855 -3.525) 6.975 16.239 ( 0.644 -4.990 0.810) 5.096 16.691 ( -3.203 8.201 3.828) 9.601 16.988 ( -7.359 8.891 -7.001) 13.499 17.372 ( 7.178 -4.350 3.379) 9.048 18.245 ( -7.403 5.698 -6.970) 11.655 19.504 ( 3.047 -15.709 11.097) 19.473 19.704 ( 9.628 6.160 4.542) 12.300 21.194 ( -4.704 6.652 9.728) 12.689 21.714 ( -0.593 -9.339 -8.461) 12.616 ======================= Grid point 43 (35/172) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 7.005 2.063 18.837) 20.203 3.279 ( 28.818 11.907 10.529) 32.911 4.272 ( -1.129 -2.014 2.250) 3.224 4.732 ( 3.492 1.411 -0.384) 3.786 5.101 ( -8.823 3.638 3.640) 10.214 5.950 ( -12.712 13.484 8.143) 20.241 6.586 ( -2.831 -2.504 9.848) 10.549 7.025 ( -4.022 5.433 0.040) 6.760 7.225 ( 10.793 -8.204 -6.002) 14.827 8.384 ( -1.742 -12.259 -1.939) 12.534 8.763 ( 3.690 -10.890 -6.616) 13.266 9.127 ( -3.558 -10.120 4.450) 11.614 9.552 ( 5.013 -4.933 0.926) 7.094 9.628 ( -6.461 -11.547 -11.904) 17.798 10.118 ( -8.660 -10.739 0.742) 13.816 10.642 ( 9.722 5.715 14.864) 18.657 10.882 ( 6.421 8.719 -8.536) 13.788 11.170 ( -6.559 8.652 3.161) 11.308 11.770 ( 2.300 4.631 -16.237) 17.040 12.350 ( 12.074 -6.098 -17.862) 22.406 12.533 ( -7.160 -0.284 -0.936) 7.226 12.627 ( -3.190 -4.319 3.613) 6.472 13.024 ( -8.544 -7.862 3.672) 12.177 13.578 ( 2.562 14.686 -5.531) 15.901 13.969 ( -12.587 -3.540 -1.943) 13.219 14.618 ( 2.187 13.613 8.299) 16.093 14.748 ( -0.487 1.186 -0.605) 1.418 15.172 ( 9.332 -1.615 5.107) 10.760 15.556 ( -4.303 1.161 -2.459) 5.090 15.792 ( 2.055 -3.859 -3.033) 5.321 16.243 ( 3.846 -4.002 -0.121) 5.551 16.762 ( -6.920 9.220 3.090) 11.934 16.888 ( -3.462 12.763 -7.170) 15.043 17.482 ( 6.471 -3.292 3.140) 7.910 18.123 ( -6.099 6.785 -2.858) 9.561 19.533 ( -0.020 -15.403 7.610) 17.180 20.003 ( 16.859 2.273 7.164) 18.458 21.315 ( -7.629 5.838 10.029) 13.888 21.477 ( -1.173 -12.372 -10.962) 16.571 ======================= Grid point 44 (36/172) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 5.996 4.038 17.624) 19.049 3.752 ( 20.975 0.730 -2.738) 21.165 4.190 ( 0.988 1.840 0.637) 2.183 4.808 ( -7.796 -0.104 5.252) 9.400 5.244 ( 9.771 8.528 10.549) 16.718 6.021 ( -16.293 15.080 11.003) 24.777 6.671 ( -2.620 -2.258 9.605) 10.209 6.946 ( -5.137 -0.871 -4.653) 6.985 7.203 ( 11.036 -5.986 -9.411) 15.691 8.232 ( -7.141 -9.872 1.086) 12.232 8.654 ( 5.781 -12.497 -4.383) 14.450 9.134 ( -2.725 -7.692 2.568) 8.555 9.286 ( -1.494 -14.022 -4.528) 14.811 9.571 ( 3.680 -6.946 -1.409) 7.986 9.936 ( -7.807 -10.626 0.835) 13.212 10.860 ( 7.778 8.022 -10.740) 15.498 11.058 ( 5.748 8.168 12.874) 16.294 11.178 ( -5.938 7.841 0.671) 9.859 11.604 ( 0.761 3.063 -12.694) 13.080 12.067 ( -5.996 -10.922 -16.381) 20.581 12.210 ( 1.333 -1.797 -17.669) 17.810 12.760 ( -1.319 -4.204 5.563) 7.097 13.055 ( 1.211 -2.089 13.480) 13.694 13.709 ( 3.820 19.904 -6.068) 21.156 13.807 ( -6.493 1.997 1.596) 6.978 14.667 ( -4.362 -10.566 2.427) 11.686 14.897 ( 0.396 19.327 5.839) 20.194 15.350 ( 9.627 -6.222 6.243) 13.053 15.434 ( -6.178 -2.986 0.264) 6.867 15.780 ( 3.427 0.808 -4.742) 5.906 16.256 ( 1.816 0.435 -1.395) 2.331 16.730 ( -7.335 7.273 -1.483) 10.435 16.868 ( -1.928 11.109 -5.026) 12.345 17.569 ( 6.215 -3.054 0.997) 6.996 18.122 ( -4.482 8.905 3.724) 10.642 19.524 ( -0.792 -13.338 7.079) 15.121 20.342 ( 19.764 0.429 5.646) 20.559 21.145 ( -12.947 -7.521 -8.294) 17.117 21.402 ( -1.155 -2.133 3.618) 4.356 ======================= Grid point 45 (37/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -3.898 11.097 8.555) 14.544 3.759 ( 7.853 -12.138 -4.484) 15.136 4.406 ( 11.454 5.120 3.918) 13.144 4.746 ( -11.373 0.012 5.866) 12.797 5.602 ( 10.033 6.121 8.491) 14.500 6.055 ( -17.377 13.841 10.546) 24.591 6.763 ( -9.368 -2.337 -5.662) 11.193 6.783 ( 2.391 -0.418 7.519) 7.901 7.160 ( 13.959 -6.889 -11.345) 19.262 8.119 ( -7.450 -6.325 4.808) 10.892 8.630 ( 7.529 -8.021 0.846) 11.033 8.905 ( -2.254 -10.638 -8.131) 13.578 9.288 ( -1.487 -9.649 1.660) 9.903 9.554 ( 4.802 -4.922 1.613) 7.063 9.820 ( -2.000 -7.995 1.510) 8.378 10.867 ( 6.887 8.055 -8.738) 13.736 11.089 ( -10.261 8.505 -2.444) 13.550 11.161 ( -10.453 -3.264 -1.854) 11.107 11.525 ( -8.115 2.817 -7.120) 11.157 11.784 ( 14.002 -6.919 -5.908) 16.699 12.042 ( 6.933 1.592 -13.277) 15.063 12.796 ( -1.111 -1.150 6.031) 6.240 13.274 ( 6.302 -1.248 9.115) 11.152 13.663 ( -3.658 0.351 -1.013) 3.812 13.970 ( 4.886 24.839 -1.452) 25.356 14.528 ( -5.781 -17.961 2.466) 19.028 15.085 ( -2.125 13.725 4.813) 14.699 15.368 ( -3.757 -4.530 5.054) 7.758 15.532 ( 8.116 -0.614 3.435) 8.834 15.733 ( 2.575 -1.068 -6.207) 6.804 16.262 ( -0.631 4.239 -0.601) 4.328 16.657 ( -5.546 3.920 -2.831) 7.358 16.840 ( -1.220 5.659 -4.278) 7.199 17.628 ( 5.991 -1.550 -1.191) 6.301 18.222 ( -3.998 9.521 7.223) 12.602 19.538 ( -2.322 -8.577 9.154) 12.757 20.582 ( 15.165 -6.963 -12.204) 20.674 20.857 ( -9.098 -2.080 4.683) 10.442 21.386 ( -3.795 -2.402 1.452) 4.720 ======================= Grid point 46 (38/172) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -16.929 17.580 -1.412) 24.447 3.741 ( 7.830 -16.711 0.360) 18.458 4.520 ( 2.548 -3.196 -2.803) 4.956 4.733 ( -8.905 1.932 9.717) 13.321 5.715 ( -8.300 3.988 2.092) 9.443 6.182 ( -2.114 11.989 9.283) 15.309 6.556 ( -9.958 -1.333 -1.224) 10.121 6.923 ( 5.807 -2.658 4.639) 7.894 7.140 ( 16.075 -4.573 -11.303) 20.176 8.088 ( -4.540 -3.964 6.370) 8.770 8.736 ( 6.028 -1.004 -1.937) 6.411 8.788 ( 6.731 -8.287 4.582) 11.617 9.107 ( -3.789 -2.835 -10.522) 11.537 9.624 ( 1.229 -3.367 2.281) 4.249 9.801 ( 2.102 -4.155 1.859) 5.014 10.782 ( -11.593 -6.652 -3.351) 13.779 10.994 ( -12.439 6.849 0.896) 14.228 11.045 ( 4.400 7.467 -3.396) 9.309 11.255 ( -8.379 -1.452 -6.381) 10.632 11.961 ( 19.955 0.042 -10.667) 22.627 12.006 ( 5.717 -0.286 -0.337) 5.734 12.878 ( 1.092 1.843 4.087) 4.615 13.432 ( 9.062 -1.899 0.989) 9.311 13.652 ( -0.725 0.426 2.923) 3.042 14.191 ( 4.771 23.328 -1.009) 23.832 14.350 ( -5.222 -23.243 3.894) 24.138 15.196 ( -2.570 10.771 2.473) 11.347 15.376 ( -4.487 -4.088 6.731) 9.064 15.582 ( -0.155 3.742 -5.785) 6.892 15.697 ( 6.388 -5.017 -3.698) 8.925 16.294 ( -2.068 3.685 2.293) 4.808 16.594 ( -0.629 1.385 -0.734) 1.689 16.804 ( -1.380 0.824 -1.565) 2.243 17.659 ( 5.039 0.217 -3.786) 6.306 18.347 ( -2.241 6.594 6.880) 9.789 19.608 ( -5.856 -1.561 12.609) 13.990 20.263 ( -5.827 -10.071 -18.738) 22.057 20.977 ( 2.148 0.913 2.545) 3.453 21.380 ( 3.295 -1.313 4.104) 5.424 ======================= Grid point 47 (39/172) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -23.745 19.522 -4.770) 31.107 3.629 ( -4.488 -18.379 -3.949) 19.327 4.393 ( -3.090 -7.772 -4.712) 9.600 4.784 ( -11.199 0.901 10.746) 15.547 5.616 ( -6.975 2.381 -3.123) 8.005 6.328 ( -3.198 9.441 5.391) 11.332 6.527 ( -4.190 4.083 6.133) 8.476 6.951 ( 6.041 -10.363 -4.838) 12.934 7.238 ( 19.198 0.974 -3.919) 19.618 8.129 ( -2.301 -0.968 7.847) 8.235 8.709 ( 1.436 -6.329 -5.261) 8.355 8.858 ( 7.988 0.409 -6.497) 10.305 9.095 ( 5.386 10.309 5.921) 13.052 9.551 ( -3.852 -0.508 -7.198) 8.179 9.867 ( 5.503 -0.583 2.832) 6.216 10.555 ( -11.806 -9.018 3.458) 15.253 10.891 ( -16.252 6.061 3.141) 17.628 11.030 ( -9.082 3.123 1.274) 9.688 11.284 ( 9.501 2.303 3.292) 10.316 11.965 ( 7.503 0.118 -7.390) 10.532 12.139 ( 18.330 -2.397 -4.318) 18.983 12.956 ( 3.378 3.830 0.153) 5.109 13.513 ( 9.333 -2.773 -4.024) 10.535 13.712 ( 2.272 -0.396 3.183) 3.931 14.156 ( -5.782 -24.871 3.981) 25.842 14.423 ( 6.943 19.754 0.496) 20.945 15.219 ( -7.142 15.221 -5.596) 17.720 15.385 ( -2.575 -12.457 9.281) 15.746 15.517 ( -0.711 -0.093 -2.124) 2.242 15.643 ( 2.421 -0.353 -8.612) 8.953 16.275 ( -4.291 0.998 -1.770) 4.748 16.699 ( 6.998 0.119 7.411) 10.194 16.782 ( -2.006 -2.184 3.219) 4.377 17.644 ( 3.484 1.402 -6.661) 7.647 18.442 ( 0.379 0.355 3.529) 3.567 19.706 ( -11.630 4.280 13.626) 18.419 19.853 ( -8.650 -5.514 -15.913) 18.933 20.932 ( -4.414 0.731 -3.186) 5.492 21.572 ( 12.224 0.091 5.618) 13.454 ======================= Grid point 48 (40/172) ======================= q-point: (-0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -25.957 18.913 -6.854) 32.840 3.208 ( -26.000 -18.358 -7.120) 32.615 4.297 ( 3.979 -6.460 -0.934) 7.644 4.704 ( -21.509 -0.925 6.658) 22.535 5.543 ( 4.318 -0.971 -5.029) 6.699 6.443 ( -3.999 12.647 4.027) 13.862 6.562 ( -7.560 4.840 2.695) 9.372 6.847 ( 6.278 -12.327 -6.470) 15.272 7.475 ( 22.937 -0.710 -2.193) 23.052 8.237 ( -1.523 3.132 9.084) 9.729 8.557 ( -0.640 -0.932 -8.705) 8.778 8.994 ( 10.427 3.758 4.243) 11.868 9.321 ( 5.788 13.229 1.508) 14.518 9.375 ( -1.264 0.046 -9.563) 9.646 10.015 ( 8.051 4.257 3.481) 9.750 10.455 ( -9.175 -7.570 8.632) 14.696 10.735 ( -18.889 3.894 0.353) 19.290 11.006 ( -10.421 0.910 10.668) 14.941 11.433 ( 5.753 -3.389 3.025) 7.330 11.970 ( 7.440 -1.507 -3.416) 8.324 12.368 ( 23.272 2.714 -0.114) 23.430 13.032 ( 7.022 4.783 -3.150) 9.061 13.481 ( 5.232 -5.363 -9.213) 11.875 13.764 ( 0.285 -8.160 1.987) 8.403 13.988 ( -0.757 -12.448 2.524) 12.724 14.655 ( 7.166 14.450 -0.307) 16.132 15.095 ( -12.210 8.803 -4.540) 15.722 15.338 ( 0.612 -18.742 -1.043) 18.781 15.502 ( 1.615 4.006 -2.217) 4.855 15.586 ( -1.461 2.192 1.275) 2.927 16.168 ( -6.634 2.376 -4.749) 8.497 16.810 ( 1.366 -6.659 7.621) 10.212 16.940 ( 8.170 -1.097 9.059) 12.248 17.579 ( 1.863 2.269 -8.488) 8.981 18.436 ( 0.685 -7.463 -2.258) 7.827 19.548 ( -8.141 2.547 -8.693) 12.179 19.728 ( -16.490 5.652 8.216) 19.271 20.872 ( -4.495 4.740 1.091) 6.623 21.787 ( 13.221 -1.077 1.406) 13.339 ======================= Grid point 49 (41/172) ======================= q-point: (-0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -24.173 11.890 -8.387) 28.214 2.608 ( -36.824 -9.763 -1.371) 38.121 4.321 ( 0.461 -4.860 -1.061) 4.996 4.509 ( -16.727 1.827 8.061) 18.657 5.522 ( 7.872 -4.046 -7.578) 11.652 6.432 ( -7.629 6.342 -6.825) 12.042 6.486 ( -8.261 1.892 -0.546) 8.493 6.833 ( 2.490 0.498 3.489) 4.315 7.666 ( 21.100 -11.242 -7.921) 25.186 8.398 ( 3.233 11.644 5.002) 13.079 8.466 ( -0.863 0.595 -1.432) 1.774 9.220 ( 5.178 2.662 2.453) 6.318 9.323 ( 5.004 3.651 2.609) 6.722 9.500 ( 10.511 11.279 -1.497) 15.490 10.180 ( 4.201 7.718 -1.551) 8.923 10.454 ( -5.278 -4.059 10.970) 12.833 10.504 ( -17.617 -0.596 1.271) 17.673 11.071 ( -9.568 -2.450 15.730) 18.574 11.490 ( 4.069 -6.098 2.928) 7.894 12.036 ( 7.946 0.289 -1.298) 8.056 12.704 ( 17.463 2.412 4.161) 18.113 13.077 ( 8.507 -1.771 -9.681) 13.009 13.357 ( 4.549 2.618 -10.563) 11.795 13.647 ( -0.825 -16.850 2.945) 17.125 14.072 ( 4.225 6.227 3.373) 8.247 14.704 ( -5.062 7.526 -7.602) 11.835 14.985 ( -2.126 -7.809 1.333) 8.202 15.134 ( -2.384 -6.681 -8.925) 11.401 15.574 ( 0.739 -1.616 1.284) 2.192 15.620 ( 1.274 5.114 3.989) 6.610 16.043 ( -7.115 5.080 -1.685) 8.903 16.917 ( 2.902 -6.790 9.643) 12.146 17.080 ( 4.585 -5.020 -0.964) 6.867 17.507 ( 2.271 1.451 -6.350) 6.898 18.319 ( 0.247 -9.339 -2.972) 9.804 19.436 ( -4.959 10.114 -3.288) 11.735 19.620 ( -16.756 2.037 3.663) 17.273 20.913 ( -5.857 8.599 5.902) 11.962 21.917 ( 11.725 -3.460 -3.283) 12.658 ======================= Grid point 50 (42/172) ======================= q-point: (-0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -22.102 3.507 -1.373) 22.421 2.233 ( -25.588 5.165 6.772) 26.969 4.135 ( -10.293 -4.657 -2.988) 11.686 4.634 ( -3.385 6.634 14.490) 16.292 5.451 ( 7.472 -4.682 -11.157) 14.221 6.225 ( -9.887 2.457 -7.771) 12.813 6.411 ( -7.355 1.920 2.541) 8.015 6.933 ( -1.575 8.261 2.793) 8.861 7.570 ( 9.507 -18.176 -14.336) 25.025 8.486 ( 5.762 -2.938 0.204) 6.472 8.675 ( 10.724 16.093 5.343) 20.064 9.216 ( -1.019 -2.134 -2.373) 3.350 9.536 ( 4.014 2.544 7.348) 8.751 9.710 ( 12.822 6.237 -1.836) 14.376 10.122 ( -4.913 5.074 -5.119) 8.723 10.406 ( -9.224 -0.534 7.496) 11.898 10.599 ( 1.543 2.062 10.684) 10.990 11.151 ( -8.329 -4.893 13.710) 16.772 11.583 ( 5.582 -4.228 8.347) 10.895 12.101 ( 5.733 1.850 -3.951) 7.204 12.828 ( 3.816 -4.434 -9.248) 10.943 12.922 ( 1.981 -8.811 -6.512) 11.134 13.381 ( 7.319 8.783 -6.081) 12.949 13.750 ( 13.780 -0.101 7.962) 15.915 14.152 ( -7.861 4.669 0.530) 9.158 14.545 ( -4.105 0.428 -5.545) 6.913 14.826 ( -1.040 -13.596 -5.300) 14.630 15.027 ( -0.117 -0.488 -4.482) 4.510 15.477 ( -5.353 1.680 -4.686) 7.310 15.805 ( 5.333 3.367 6.213) 8.853 16.064 ( -0.657 4.547 6.110) 7.645 16.953 ( -3.999 -3.892 -9.737) 11.223 17.042 ( 2.487 -5.317 8.337) 10.196 17.422 ( 0.493 -2.841 -8.561) 9.033 18.309 ( 4.583 -3.856 3.520) 6.947 19.389 ( -7.921 12.671 -5.159) 15.808 19.530 ( -6.348 -3.578 7.589) 10.521 20.993 ( -7.387 9.464 7.218) 14.008 21.940 ( 8.306 -5.931 -6.112) 11.896 ======================= Grid point 53 (43/172) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 12.370 0.391 7.009) 14.223 2.605 ( 21.884 1.512 1.715) 22.003 4.116 ( 7.888 3.625 7.103) 11.217 4.824 ( -7.748 -3.997 -11.244) 14.228 5.269 ( -1.471 1.957 5.944) 6.428 6.168 ( -2.674 5.709 5.692) 8.494 6.526 ( 5.745 -2.436 1.394) 6.394 7.065 ( 3.285 -10.118 -0.957) 10.681 7.174 ( -7.083 13.524 7.264) 16.907 8.404 ( -2.160 -3.770 0.991) 4.457 8.775 ( -4.572 -9.489 -7.650) 13.018 9.204 ( 1.121 -3.978 3.087) 5.159 9.526 ( -6.176 -4.930 1.606) 8.064 9.717 ( 0.614 -1.967 -7.541) 7.818 10.159 ( 4.176 -5.501 3.692) 7.832 10.529 ( 0.817 -0.595 1.229) 1.591 10.753 ( 1.748 -0.096 -8.383) 8.564 11.283 ( -0.139 7.165 -0.388) 7.176 11.706 ( -0.150 2.510 -18.978) 19.144 12.089 ( 5.128 -0.925 -3.829) 6.467 12.492 ( 0.217 4.120 18.841) 19.288 12.924 ( -4.413 2.520 -6.577) 8.312 13.256 ( -8.583 -8.939 4.075) 13.045 13.687 ( -13.469 0.367 -7.672) 15.506 14.225 ( -3.023 -4.747 -0.489) 5.649 14.481 ( 7.217 10.304 7.815) 14.810 14.738 ( 0.810 3.295 0.039) 3.393 14.985 ( 4.198 3.151 3.150) 6.122 15.498 ( 5.603 1.589 2.377) 6.290 15.847 ( -3.636 -4.492 -3.874) 6.957 16.176 ( 0.268 -5.328 -3.366) 6.308 16.830 ( 0.999 7.019 6.132) 9.374 17.040 ( -6.583 8.245 -7.061) 12.695 17.343 ( 4.788 -2.267 6.478) 8.368 18.277 ( -5.910 4.483 -5.340) 9.140 19.477 ( 5.580 -14.548 8.244) 17.627 19.655 ( 7.875 5.593 -1.908) 9.846 21.239 ( 6.187 -7.256 -3.316) 10.096 21.707 ( -9.289 3.548 3.165) 10.435 ======================= Grid point 54 (44/172) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 16.804 -2.225 12.875) 21.286 3.012 ( 33.054 4.646 0.418) 33.382 4.274 ( -1.972 -0.013 -0.631) 2.070 4.685 ( 6.983 2.855 1.088) 7.623 5.312 ( -6.497 3.304 5.773) 9.299 6.303 ( -4.381 10.743 10.230) 15.468 6.613 ( 7.689 -5.716 1.752) 9.739 6.966 ( 1.583 -9.145 -5.978) 11.039 7.251 ( -13.000 9.619 5.857) 17.200 8.353 ( -3.828 -5.711 2.485) 7.311 8.591 ( 0.692 -10.321 -4.028) 11.100 9.173 ( -3.298 -7.033 4.565) 9.010 9.424 ( -5.377 -6.422 -12.305) 14.885 9.504 ( -1.469 -10.398 -0.427) 10.510 10.154 ( -6.135 -9.647 1.692) 11.558 10.630 ( 9.183 1.849 -2.997) 9.835 10.733 ( 13.644 5.070 -2.615) 14.788 11.324 ( -0.593 8.859 -1.787) 9.057 11.488 ( 3.107 2.928 -16.702) 17.239 12.026 ( 0.689 -1.099 -8.253) 8.355 12.612 ( -19.754 -5.302 -10.826) 23.141 12.781 ( -1.762 2.725 15.829) 16.158 13.176 ( -8.070 -7.910 9.053) 14.480 13.597 ( 2.059 18.117 -4.836) 18.864 14.060 ( -10.162 -5.760 -1.757) 11.812 14.714 ( 2.823 -5.434 5.237) 8.057 14.851 ( 2.343 20.309 5.061) 21.060 15.113 ( 7.148 -3.399 4.417) 9.064 15.571 ( -1.929 0.917 -1.805) 2.797 15.702 ( 0.406 -4.295 -3.314) 5.440 16.150 ( 5.290 -4.767 -0.124) 7.122 16.915 ( -6.712 8.317 -6.295) 12.404 16.950 ( -3.195 10.523 1.126) 11.055 17.454 ( 2.862 -3.251 4.561) 6.290 18.213 ( -3.096 7.953 -0.074) 8.534 19.505 ( 2.125 -13.759 5.394) 14.931 19.858 ( 17.529 1.364 1.326) 17.632 21.167 ( 5.803 -12.116 -7.888) 15.579 21.658 ( -13.435 5.127 5.801) 15.506 ======================= Grid point 55 (45/172) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 17.184 -5.269 13.373) 22.403 3.417 ( 23.898 5.109 -3.636) 24.707 4.204 ( -1.389 3.334 0.706) 3.680 4.887 ( 6.445 3.064 2.135) 7.449 5.387 ( 0.131 5.076 9.040) 10.368 6.464 ( -10.088 13.259 9.730) 19.293 6.669 ( 8.561 -10.404 0.377) 13.479 6.832 ( 4.223 -6.485 -7.917) 11.071 7.147 ( -17.060 4.087 0.810) 17.561 8.294 ( -5.110 -4.837 1.913) 7.292 8.518 ( 1.820 -6.720 1.202) 7.065 9.041 ( -8.078 -9.087 -11.632) 16.827 9.256 ( 2.137 -9.797 11.169) 15.010 9.443 ( 2.588 -6.608 -3.372) 7.857 9.980 ( -9.107 -8.433 -0.528) 12.423 10.649 ( 8.844 7.815 -10.571) 15.844 11.024 ( 20.133 -1.921 2.150) 20.339 11.327 ( -5.970 7.619 -1.833) 9.852 11.347 ( 8.827 1.655 -14.336) 16.916 11.881 ( -5.606 -0.719 -5.653) 7.994 12.159 ( -20.346 -4.887 -7.494) 22.227 12.888 ( -5.796 -2.679 7.677) 9.986 13.246 ( -3.115 0.086 12.329) 12.716 13.731 ( 1.747 15.568 -4.343) 16.257 13.921 ( -3.818 6.942 -0.273) 7.927 14.665 ( -4.876 -11.784 1.056) 12.797 15.130 ( -0.150 18.432 6.646) 19.594 15.242 ( 11.212 -8.711 5.062) 15.074 15.477 ( -3.653 -4.233 1.015) 5.683 15.675 ( 2.565 1.400 -5.625) 6.339 16.211 ( 4.878 -1.392 1.647) 5.333 16.805 ( -5.457 7.354 -5.871) 10.878 16.926 ( -5.758 7.292 -5.024) 10.562 17.519 ( 2.616 -3.823 3.882) 6.044 18.298 ( -1.843 10.045 4.896) 11.326 19.535 ( 2.396 -9.472 7.683) 12.429 20.090 ( 19.903 -2.576 -3.718) 20.411 21.008 ( 0.290 -10.048 -5.891) 11.651 21.594 ( -12.346 2.679 3.359) 13.072 ======================= Grid point 56 (46/172) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 13.691 -6.853 8.635) 17.578 3.547 ( 3.048 5.559 -4.298) 7.660 4.344 ( 8.144 4.824 3.836) 10.213 4.905 ( -3.536 1.078 -0.722) 3.766 5.630 ( 9.131 3.645 7.508) 12.371 6.458 ( -9.358 3.696 1.051) 10.117 6.722 ( 2.517 -1.096 2.048) 3.425 6.776 ( 8.380 -7.094 -6.421) 12.719 6.962 ( -14.816 3.259 0.839) 15.193 8.211 ( -3.706 -3.398 -0.328) 5.039 8.598 ( 3.454 0.255 7.307) 8.086 8.769 ( -4.968 -7.196 -4.200) 9.701 9.213 ( -3.836 -10.419 -6.179) 12.706 9.515 ( 6.768 -2.208 7.374) 10.250 9.835 ( -4.914 -4.166 -0.094) 6.443 10.700 ( 10.076 9.057 -6.770) 15.145 11.114 ( 4.048 -5.253 -4.774) 8.172 11.202 ( -10.201 1.379 -5.812) 11.821 11.384 ( 21.174 -1.143 -10.436) 23.633 11.690 ( -19.579 -2.258 4.453) 20.206 11.952 ( -2.963 3.670 -0.097) 4.717 12.899 ( -3.070 -1.516 4.631) 5.760 13.352 ( -2.678 0.481 5.740) 6.353 13.702 ( -2.858 0.882 -0.871) 3.115 14.075 ( 4.363 25.647 -2.158) 26.105 14.487 ( -5.815 -19.483 0.874) 20.351 15.250 ( -1.289 0.596 5.263) 5.451 15.438 ( 8.339 4.879 2.326) 9.937 15.466 ( -1.070 -2.231 3.483) 4.272 15.616 ( 1.104 -0.760 -5.229) 5.398 16.285 ( 2.485 1.569 2.117) 3.622 16.694 ( -6.061 2.679 -5.214) 8.432 16.832 ( -1.369 3.245 -4.692) 5.867 17.575 ( 1.546 -1.807 2.642) 3.555 18.401 ( -1.907 6.509 3.415) 7.594 19.669 ( 1.222 -1.874 13.333) 13.519 20.139 ( 13.745 -7.373 -15.365) 21.895 20.942 ( 0.987 -2.638 3.387) 4.405 21.477 ( -9.699 0.110 -1.027) 9.754 ======================= Grid point 57 (47/172) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -0.000 0.000 -0.000) 0.000 3.542 ( 0.000 -0.000 0.000) 0.000 4.457 ( 0.000 -0.000 0.000) 0.000 4.873 ( 0.000 0.000 -0.000) 0.000 5.773 ( 0.000 0.000 -0.000) 0.000 6.418 ( 0.000 0.000 0.000) 0.000 6.720 ( -0.000 0.000 0.000) 0.000 6.750 ( 0.000 -0.000 -0.000) 0.000 6.902 ( 0.000 -0.000 0.000) 0.000 8.169 ( 0.000 0.000 -0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 9.028 ( 0.000 0.000 -0.000) 0.000 9.620 ( 0.000 -0.000 0.000) 0.000 9.790 ( 0.000 -0.000 0.000) 0.000 10.806 ( 0.000 -0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 -0.000) 0.000 11.448 ( -0.000 0.000 0.000) 0.000 11.579 ( 0.000 -0.000 -0.000) 0.000 11.973 ( 0.000 -0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 13.369 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 -0.000) 0.000 14.276 ( -0.000 -0.000 0.000) 0.000 14.290 ( 0.000 0.000 -0.000) 0.000 15.288 ( 0.000 0.000 -0.000) 0.000 15.482 ( -0.000 -0.000 0.000) 0.000 15.520 ( 0.000 0.000 -0.000) 0.000 15.582 ( 0.000 -0.000 -0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.599 ( 0.000 -0.000 -0.000) 0.000 16.807 ( 0.000 -0.000 0.000) 0.000 17.598 ( 0.000 0.000 -0.000) 0.000 18.437 ( 0.000 -0.000 -0.000) 0.000 19.853 ( 0.000 -0.000 -0.000) 0.000 19.989 ( 0.000 0.000 0.000) 0.000 21.002 ( 0.000 0.000 -0.000) 0.000 21.382 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 114 (48/172) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 -0.000 36.589) 36.589 1.672 ( 0.000 -0.000 36.589) 36.589 2.233 ( 0.000 -0.000 49.143) 49.143 4.530 ( 0.000 -0.000 9.464) 9.464 5.567 ( -0.000 0.000 -8.614) 8.614 5.567 ( -0.000 0.000 -8.614) 8.614 6.514 ( 0.000 0.000 0.071) 0.071 6.514 ( 0.000 -0.000 0.071) 0.071 8.270 ( -0.000 0.000 -13.670) 13.670 8.902 ( 0.000 0.000 0.468) 0.468 8.902 ( 0.000 -0.000 0.468) 0.468 9.681 ( 0.000 -0.000 5.451) 5.451 10.019 ( -0.000 0.000 -3.779) 3.779 10.019 ( -0.000 0.000 -3.779) 3.779 10.170 ( 0.000 -0.000 3.517) 3.517 10.307 ( -0.000 0.000 -11.896) 11.896 10.607 ( 0.000 -0.000 6.659) 6.659 10.607 ( 0.000 -0.000 6.659) 6.659 11.752 ( 0.000 -0.000 22.835) 22.835 12.245 ( -0.000 0.000 -10.233) 10.233 12.900 ( -0.000 0.000 -7.363) 7.363 12.900 ( -0.000 0.000 -7.363) 7.363 13.741 ( 0.000 0.000 -2.298) 2.298 13.741 ( 0.000 -0.000 -2.298) 2.298 14.038 ( -0.000 0.000 -8.018) 8.018 14.038 ( -0.000 0.000 -8.018) 8.018 14.976 ( 0.000 -0.000 0.209) 0.209 15.356 ( -0.000 0.000 -8.946) 8.946 15.356 ( -0.000 0.000 -8.946) 8.946 16.130 ( 0.000 -0.000 11.636) 11.636 16.221 ( 0.000 -0.000 1.018) 1.018 16.487 ( 0.000 0.000 -0.343) 0.343 16.487 ( 0.000 -0.000 -0.343) 0.343 17.909 ( -0.000 0.000 -9.579) 9.579 17.909 ( -0.000 0.000 -9.579) 9.579 19.513 ( 0.000 -0.000 19.033) 19.033 19.513 ( 0.000 -0.000 19.033) 19.033 20.548 ( 0.000 -0.000 4.740) 4.740 22.178 ( -0.000 0.000 -5.266) 5.266 ======================= Grid point 115 (49/172) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -12.251 -5.473 33.555) 36.138 2.282 ( -1.351 -5.800 36.878) 37.355 3.170 ( 25.205 16.828 39.121) 49.487 4.638 ( -3.089 -1.870 7.413) 8.246 5.410 ( 0.596 3.356 -14.324) 14.724 5.496 ( 8.588 2.539 -10.902) 14.109 6.412 ( -6.611 -5.204 6.738) 10.779 6.678 ( 6.704 4.129 3.174) 8.490 7.997 ( -9.737 -2.622 -12.815) 16.307 8.863 ( -4.562 0.886 -1.941) 5.036 8.963 ( 5.447 -2.814 1.963) 6.437 9.681 ( -10.839 -7.183 4.928) 13.906 9.775 ( -16.188 -4.605 -5.673) 17.761 10.008 ( 3.452 5.721 -1.777) 6.914 10.138 ( 3.772 -2.805 -5.425) 7.178 10.246 ( 1.575 -2.830 1.267) 3.478 10.674 ( 2.806 -3.928 4.818) 6.820 10.820 ( 6.263 10.675 4.356) 13.121 11.973 ( 1.777 0.413 -1.578) 2.412 12.204 ( -2.610 -4.004 12.731) 13.599 12.711 ( -1.549 -0.144 -6.383) 6.569 12.935 ( 8.541 7.686 -7.922) 13.956 13.426 ( -13.173 -9.144 -13.867) 21.200 13.819 ( -5.459 -3.771 -7.635) 10.115 13.891 ( 13.690 9.880 -6.993) 18.274 14.052 ( 5.950 3.685 -2.444) 7.414 14.954 ( -5.416 -0.078 1.948) 5.756 15.133 ( -6.201 -5.841 -3.547) 9.228 15.385 ( 7.267 0.293 -2.399) 7.659 16.240 ( -6.900 5.545 -4.837) 10.088 16.271 ( -0.953 -2.311 7.507) 7.912 16.327 ( 3.584 -6.032 2.023) 7.302 16.638 ( 10.283 8.262 -5.146) 14.159 17.703 ( -7.794 -2.325 -3.263) 8.763 17.931 ( 9.717 3.648 -6.525) 12.260 19.686 ( -3.535 -5.987 14.434) 16.021 19.778 ( -5.759 1.079 18.141) 19.064 20.670 ( 5.703 2.035 6.714) 9.041 22.071 ( -2.392 -0.419 -7.489) 7.873 ======================= Grid point 116 (50/172) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -8.931 -4.835 27.405) 29.227 2.696 ( -6.737 -5.915 33.062) 34.256 4.021 ( 14.372 8.137 23.572) 28.782 4.651 ( 0.231 -1.980 3.611) 4.125 5.196 ( -1.144 4.443 -15.398) 16.067 5.585 ( 14.450 6.738 -2.638) 16.160 6.477 ( -0.468 -1.542 10.911) 11.030 6.817 ( 4.527 0.774 3.236) 5.618 7.645 ( -14.169 -2.904 -10.867) 18.091 8.732 ( -6.449 -3.085 -5.479) 9.007 9.005 ( 0.105 -1.050 -0.712) 1.273 9.480 ( -13.476 -2.448 -1.184) 13.748 9.565 ( -7.080 -4.292 1.306) 8.382 9.900 ( 2.882 -7.501 -10.455) 13.186 10.245 ( 1.286 -4.929 0.796) 5.156 10.331 ( 3.248 8.747 12.732) 15.785 10.744 ( 3.699 -2.407 1.710) 4.733 11.004 ( 5.758 9.966 -0.458) 11.519 11.850 ( 2.018 -2.185 -13.475) 13.799 12.304 ( -4.750 -10.361 12.638) 17.019 12.755 ( 2.179 8.719 2.287) 9.273 12.833 ( -11.858 -8.929 -13.292) 19.925 13.089 ( 6.211 6.834 -10.300) 13.834 13.622 ( 0.467 1.626 -11.869) 11.989 14.008 ( 10.716 7.346 -7.356) 14.930 14.177 ( 6.284 4.945 3.474) 8.718 14.911 ( -9.676 3.961 3.523) 11.033 15.009 ( -0.270 -12.539 1.102) 12.590 15.454 ( 3.885 -1.279 1.918) 4.518 16.070 ( -8.490 1.982 -4.207) 9.680 16.306 ( 0.375 -3.062 1.055) 3.260 16.446 ( 8.594 -1.395 2.798) 9.145 16.729 ( 8.220 9.580 -7.070) 14.468 17.584 ( -8.167 -1.035 2.190) 8.519 17.995 ( 9.900 2.974 -5.589) 11.751 19.747 ( -3.521 -11.745 9.274) 15.373 19.902 ( -14.202 3.792 14.550) 20.683 20.916 ( 11.632 2.185 9.247) 15.020 21.895 ( -5.084 -0.489 -9.876) 11.118 ======================= Grid point 117 (51/172) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -9.659 -6.131 18.186) 21.485 2.930 ( -16.485 -5.820 23.652) 29.412 4.219 ( -5.580 -10.234 8.259) 14.286 4.766 ( 4.365 8.895 -5.574) 11.369 5.139 ( 6.058 4.519 0.870) 7.607 5.851 ( 16.180 6.560 4.543) 18.040 6.637 ( -0.968 -0.095 8.966) 9.019 6.893 ( 5.793 -3.942 1.773) 7.228 7.341 ( -11.663 0.578 -4.981) 12.695 8.525 ( -5.534 -5.388 -6.028) 9.798 8.933 ( -6.348 3.173 -3.148) 7.764 9.349 ( -7.632 -1.054 1.632) 7.875 9.504 ( 2.608 -1.979 -3.787) 5.006 9.754 ( -1.073 -5.212 -4.110) 6.724 10.236 ( 1.104 -5.408 1.333) 5.679 10.575 ( -2.088 3.510 10.455) 11.224 10.752 ( 1.019 0.270 -4.725) 4.841 11.106 ( 6.928 4.792 -3.374) 9.075 11.652 ( 1.741 -1.604 -14.996) 15.182 12.258 ( -9.208 -8.537 -8.559) 15.197 12.470 ( -1.081 -5.318 6.375) 8.372 12.844 ( 0.582 4.389 -5.186) 6.818 13.196 ( 7.474 8.282 1.160) 11.216 13.559 ( 3.922 12.840 -7.812) 15.533 14.100 ( 11.814 2.338 -3.400) 12.514 14.328 ( 3.374 3.427 3.395) 5.887 14.861 ( -8.985 0.265 3.606) 9.685 14.971 ( 0.377 -9.792 4.823) 10.921 15.508 ( 0.483 -1.600 3.082) 3.506 15.952 ( -5.833 3.512 -2.637) 7.302 16.273 ( -1.016 -3.482 -1.525) 3.935 16.591 ( 10.428 -1.827 2.258) 10.825 16.793 ( 7.451 8.183 -6.694) 12.934 17.534 ( -8.274 0.058 5.733) 10.066 18.059 ( 9.320 2.418 -5.265) 10.974 19.701 ( -3.990 -14.437 4.701) 15.698 19.908 ( -17.676 5.060 10.052) 20.954 21.227 ( 11.382 0.351 10.438) 15.447 21.661 ( -5.089 0.015 -12.190) 13.210 ======================= Grid point 118 (52/172) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -13.278 -11.120 4.345) 17.856 2.875 ( -30.350 -5.064 17.871) 35.583 4.195 ( -4.709 -10.741 8.632) 14.562 4.738 ( -0.905 9.124 -9.333) 13.083 5.272 ( 7.029 0.367 2.331) 7.415 6.165 ( 11.581 2.588 8.136) 14.388 6.566 ( -8.894 -9.290 -1.779) 12.983 7.077 ( 10.514 1.298 4.565) 11.535 7.229 ( -5.106 3.739 3.846) 7.406 8.403 ( 0.990 -3.103 -1.832) 3.737 8.842 ( -5.807 7.106 -2.821) 9.601 9.272 ( -4.499 -2.592 -1.080) 5.303 9.456 ( 6.156 -1.784 -9.069) 11.105 9.698 ( -1.265 2.936 0.182) 3.202 10.236 ( 0.207 -5.435 3.119) 6.269 10.571 ( -9.128 -5.840 0.513) 10.848 10.635 ( -2.133 2.627 -10.993) 11.502 11.126 ( 3.281 -5.111 -6.623) 8.986 11.448 ( 2.756 2.626 -13.448) 13.976 12.079 ( -0.682 5.463 -0.801) 5.563 12.656 ( 10.872 -3.360 5.648) 12.704 12.779 ( -0.471 -0.181 0.503) 0.713 13.355 ( 5.496 8.370 0.547) 10.028 13.639 ( 2.135 19.163 -4.892) 19.893 14.256 ( 8.991 2.671 2.513) 9.710 14.391 ( 2.545 -7.084 2.880) 8.060 14.805 ( -6.095 -2.901 3.933) 7.813 15.009 ( -0.188 -2.917 6.520) 7.145 15.535 ( -1.012 -0.838 2.594) 2.908 15.881 ( -5.231 4.989 -2.438) 7.629 16.192 ( -3.387 -3.620 -1.924) 5.318 16.744 ( 11.400 -1.336 0.574) 11.493 16.845 ( 7.380 3.287 -4.760) 9.377 17.544 ( -8.055 1.972 9.380) 12.520 18.115 ( 8.741 1.805 -4.987) 10.224 19.581 ( -4.584 -13.761 0.664) 14.520 19.825 ( -18.058 3.462 5.799) 19.280 21.296 ( -10.856 -3.480 -5.230) 12.542 21.620 ( 15.235 2.560 1.693) 15.541 ======================= Grid point 119 (53/172) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -17.980 -18.506 -3.578) 26.049 2.663 ( -40.874 -1.060 18.929) 45.056 4.136 ( -7.924 -14.209 1.492) 16.337 4.537 ( -8.346 0.554 -12.380) 14.940 5.486 ( 13.123 5.222 7.613) 16.045 6.316 ( -9.467 -13.596 -1.074) 16.602 6.426 ( 6.623 0.619 8.775) 11.011 7.032 ( -11.104 6.310 -4.443) 13.522 7.510 ( 17.079 -1.720 11.445) 20.631 8.415 ( 4.195 -2.098 -0.509) 4.718 8.813 ( -4.404 16.501 -6.634) 18.322 9.173 ( 1.376 -5.594 -1.760) 6.024 9.402 ( 5.865 0.919 -7.804) 9.805 9.763 ( 5.154 7.656 -0.869) 9.270 10.255 ( -1.575 -4.252 6.011) 7.529 10.342 ( -11.476 -8.652 -3.972) 14.910 10.455 ( -1.329 2.943 -12.566) 12.975 10.913 ( -2.822 -6.582 -11.995) 13.971 11.430 ( 6.068 2.330 -4.046) 7.657 12.214 ( 2.605 12.982 5.324) 14.271 12.694 ( 10.389 -6.544 -4.418) 13.049 12.973 ( 8.324 1.181 7.208) 11.074 13.503 ( 3.622 6.185 5.597) 9.094 13.718 ( 0.718 18.708 -5.602) 19.542 14.251 ( -10.945 -3.147 0.755) 11.413 14.526 ( 13.429 -7.628 5.897) 16.532 14.791 ( -1.339 -3.291 4.544) 5.768 15.110 ( 0.860 2.531 6.865) 7.367 15.548 ( -0.702 0.320 0.752) 1.077 15.807 ( -5.733 5.189 -3.562) 8.514 16.088 ( -6.593 -3.450 0.442) 7.454 16.800 ( 7.824 0.774 -10.461) 13.086 16.944 ( 8.877 -4.266 5.149) 11.113 17.644 ( -5.836 5.798 12.971) 15.360 18.169 ( 8.400 0.744 -3.517) 9.137 19.405 ( -5.809 -11.283 -3.195) 13.087 19.671 ( -17.061 0.220 1.892) 17.167 21.012 ( -11.004 -3.184 -8.653) 14.356 21.880 ( 13.907 1.713 4.304) 14.659 ======================= Grid point 120 (54/172) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -18.980 -26.292 3.336) 32.598 2.370 ( -48.566 2.223 18.648) 52.071 3.614 ( -27.455 -27.592 -18.840) 43.244 4.402 ( -1.663 0.518 0.023) 1.742 5.799 ( 8.271 10.726 0.645) 13.560 6.096 ( -0.918 -16.438 2.855) 16.710 6.698 ( 6.918 -1.207 16.160) 17.620 6.867 ( -14.130 11.003 -2.611) 18.098 7.795 ( 15.876 -9.984 -0.354) 18.758 8.450 ( 4.005 0.988 -0.173) 4.129 8.707 ( -4.317 17.468 -13.900) 22.737 9.285 ( 10.085 2.668 6.144) 12.106 9.391 ( 6.042 2.769 -6.096) 9.019 9.868 ( 8.869 1.031 -4.890) 10.180 10.105 ( -9.683 -1.609 -1.832) 9.985 10.302 ( 0.672 3.377 -10.891) 11.422 10.334 ( -1.216 -1.902 11.339) 11.561 10.689 ( -1.451 -4.218 -9.047) 10.087 11.434 ( -0.123 -1.314 -1.976) 2.376 12.440 ( 2.346 14.700 6.547) 16.262 12.759 ( 13.641 -9.701 -0.433) 16.744 13.122 ( 10.169 3.435 -3.456) 11.276 13.622 ( -5.044 5.895 0.782) 7.798 13.832 ( 3.980 8.394 4.846) 10.478 14.070 ( -10.663 -4.549 0.186) 11.594 14.633 ( -2.418 -2.554 3.324) 4.839 14.895 ( 12.090 -7.471 4.864) 15.022 15.251 ( 2.242 9.773 2.492) 10.332 15.535 ( -0.676 -1.272 -0.319) 1.475 15.712 ( -4.357 3.171 -4.670) 7.131 16.020 ( -9.140 -2.531 8.328) 12.622 16.684 ( 3.101 -2.400 -13.791) 14.337 17.116 ( 8.479 -2.403 6.098) 10.717 17.833 ( -1.006 7.830 10.645) 13.253 18.256 ( 7.260 -0.196 2.662) 7.735 19.177 ( -8.050 -7.958 -6.244) 12.927 19.450 ( -15.344 -3.817 -2.386) 15.991 20.757 ( -8.275 -3.195 -5.735) 10.563 22.103 ( 10.910 2.389 2.388) 11.421 ======================= Grid point 121 (55/172) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -13.693 -36.262 20.788) 43.984 2.008 ( -51.967 2.714 16.135) 54.482 2.641 ( -41.336 -33.681 -19.556) 56.793 4.395 ( -2.852 -0.946 1.921) 3.566 5.756 ( -5.932 3.461 -4.101) 7.999 6.234 ( 15.813 -5.665 1.633) 16.877 6.684 ( -3.476 2.446 -8.661) 9.648 7.173 ( 2.780 12.031 30.929) 33.302 7.614 ( 0.012 -11.747 -26.672) 29.144 8.559 ( 5.784 2.419 5.084) 8.072 8.697 ( 4.520 11.309 -2.622) 12.458 9.421 ( 8.561 1.970 -5.514) 10.372 9.522 ( 4.006 4.712 4.840) 7.853 9.794 ( 2.125 -5.235 -3.771) 6.793 10.098 ( 1.827 3.387 1.531) 4.141 10.210 ( 3.280 4.225 -8.503) 10.046 10.478 ( -1.232 -4.635 5.263) 7.121 10.621 ( 5.866 5.489 2.896) 8.540 11.364 ( -6.029 -3.566 1.473) 7.158 12.637 ( 2.599 7.727 2.265) 8.462 12.858 ( 12.050 -5.361 0.242) 13.191 13.224 ( 4.850 5.294 -2.268) 7.530 13.511 ( -6.858 3.929 -5.350) 9.544 13.880 ( -4.416 -11.078 5.646) 13.195 14.088 ( 1.119 10.222 3.462) 10.851 14.553 ( -8.482 -7.132 -0.063) 11.082 15.034 ( 13.935 -4.249 -4.169) 15.153 15.296 ( -1.903 11.884 -9.714) 15.466 15.587 ( 1.257 -2.343 10.887) 11.207 15.653 ( 1.097 0.607 0.240) 1.277 16.061 ( -5.819 -4.962 12.438) 14.601 16.476 ( -2.991 -0.446 -11.646) 12.033 17.256 ( 5.607 4.917 -3.489) 8.233 18.020 ( 5.966 1.073 8.071) 10.094 18.437 ( 4.354 1.893 9.357) 10.492 18.921 ( -10.186 -3.247 -6.429) 12.475 19.165 ( -12.507 -8.381 -5.172) 15.919 20.598 ( -5.256 -3.032 -1.284) 6.202 22.254 ( 7.428 4.223 -1.332) 8.647 ======================= Grid point 122 (56/172) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -33.761 -30.975 -2.337) 45.877 1.353 ( -13.102 -44.157 23.259) 51.599 1.878 ( -56.497 1.705 26.012) 62.221 4.377 ( -3.943 -1.425 3.808) 5.664 5.695 ( -4.218 6.868 -1.634) 8.224 6.262 ( 8.486 -10.197 -16.439) 21.124 6.531 ( -0.637 1.124 -11.914) 11.984 6.974 ( -16.410 -11.152 -21.235) 29.061 7.875 ( 15.122 21.761 24.100) 35.819 8.794 ( 10.229 -0.209 2.656) 10.571 8.834 ( 8.622 6.539 10.920) 15.373 9.353 ( -2.980 -5.196 -5.809) 8.345 9.594 ( 0.582 1.746 4.555) 4.913 9.910 ( 11.019 9.304 -0.928) 14.451 10.149 ( 2.906 -3.340 3.144) 5.430 10.223 ( 6.578 2.219 -3.683) 7.859 10.455 ( 0.090 -5.717 2.622) 6.291 10.848 ( 5.622 7.715 2.153) 9.786 11.326 ( -7.027 -3.130 10.208) 12.782 12.624 ( 1.474 -5.144 -7.995) 9.620 12.993 ( 1.385 8.724 -1.362) 8.938 13.142 ( -4.783 -3.138 -1.700) 5.968 13.568 ( 6.661 9.836 3.539) 12.395 13.842 ( -3.502 -3.863 3.071) 6.051 14.168 ( -2.186 4.292 0.037) 4.816 14.305 ( -5.814 -15.284 -7.529) 18.003 15.069 ( 6.812 6.481 -12.635) 15.750 15.196 ( 0.492 1.544 -2.124) 2.671 15.750 ( 1.958 0.453 9.895) 10.097 15.763 ( 1.575 -1.254 3.722) 4.232 16.074 ( 12.411 -19.626 -1.354) 23.260 16.386 ( -15.562 15.121 9.728) 23.779 17.115 ( -5.643 4.177 -22.434) 23.507 18.247 ( 7.481 0.389 2.649) 7.945 18.474 ( -1.858 -7.275 -13.564) 15.504 18.756 ( -3.660 3.462 6.056) 7.877 19.024 ( -5.814 -5.368 15.890) 17.751 20.530 ( -3.487 -2.687 1.799) 4.755 22.299 ( 2.593 5.035 -6.316) 8.483 ======================= Grid point 125 (57/172) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -0.074 -20.133 31.651) 37.512 2.941 ( -0.718 21.174 28.349) 35.391 3.651 ( 0.487 9.374 38.436) 39.566 4.737 ( -1.804 -5.140 4.512) 7.073 5.206 ( 5.397 2.304 -14.544) 15.683 5.334 ( -3.404 8.293 -7.689) 11.811 6.517 ( -0.521 -8.391 9.208) 12.468 6.751 ( -0.287 7.301 5.303) 9.028 7.828 ( 1.526 -4.348 -13.327) 14.101 8.787 ( 0.375 -11.580 -3.296) 12.046 8.998 ( -0.953 3.285 1.918) 3.921 9.684 ( 7.386 -14.162 -10.899) 19.337 9.774 ( 1.154 -4.963 -2.507) 5.679 9.821 ( -9.930 -6.215 -3.217) 12.148 10.173 ( 1.352 -0.548 5.567) 5.755 10.292 ( -0.431 5.996 6.842) 9.108 10.745 ( -5.253 2.864 2.490) 6.480 10.850 ( 5.733 9.822 -0.156) 11.373 11.850 ( -1.006 1.498 -10.882) 11.031 12.474 ( -9.071 -9.001 9.025) 15.645 12.622 ( 10.067 1.118 5.199) 11.385 12.837 ( -0.142 11.772 -5.806) 13.127 13.233 ( -0.962 -12.023 -19.080) 22.572 13.553 ( 0.642 3.869 -19.497) 19.887 13.822 ( 0.330 -2.026 -0.854) 2.223 14.081 ( 0.590 14.549 1.424) 14.630 14.949 ( 1.635 -11.327 3.416) 11.943 15.210 ( -3.299 3.110 1.808) 4.881 15.337 ( -0.198 5.975 -0.359) 5.989 16.167 ( 6.393 -10.485 -2.093) 12.457 16.311 ( -8.004 -0.287 -2.802) 8.485 16.379 ( -1.046 1.413 5.068) 5.364 16.565 ( 3.436 14.295 -5.608) 15.736 17.713 ( 2.689 -2.592 -0.367) 3.753 17.838 ( -2.514 4.390 -2.303) 5.559 19.826 ( -1.935 -14.404 12.040) 18.873 20.086 ( 3.157 5.119 15.444) 16.574 20.751 ( -1.795 4.963 5.987) 7.981 21.948 ( 0.637 -4.175 -8.745) 9.711 ======================= Grid point 126 (58/172) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -4.856 -13.285 23.318) 27.272 3.370 ( -14.157 14.612 27.698) 34.367 4.233 ( 7.394 -2.608 20.169) 21.640 4.644 ( -1.310 -3.435 0.255) 3.686 5.142 ( -4.664 9.240 -4.498) 11.285 5.412 ( 16.063 8.945 -0.574) 18.395 6.606 ( 0.937 -4.952 10.500) 11.647 6.852 ( -0.585 1.746 3.143) 3.643 7.591 ( -5.408 -1.931 -11.368) 12.736 8.605 ( -1.201 -13.789 -7.206) 15.604 9.044 ( -1.145 3.554 1.059) 3.881 9.439 ( 1.478 -10.669 -14.637) 18.173 9.606 ( -10.557 -7.308 0.611) 12.854 9.737 ( 2.461 -6.060 0.089) 6.541 10.176 ( 1.912 -8.405 0.068) 8.620 10.578 ( 1.509 9.058 15.359) 17.895 10.749 ( -2.077 3.960 1.674) 4.775 10.952 ( 5.492 9.841 -6.525) 13.023 11.663 ( -2.766 -1.044 -11.690) 12.058 12.339 ( 0.359 -6.429 -2.401) 6.872 12.677 ( -11.444 -9.737 -17.666) 23.192 12.893 ( -2.029 4.631 -6.914) 8.566 12.963 ( 8.544 3.519 12.451) 15.505 13.420 ( 7.353 10.173 -12.187) 17.495 13.821 ( 6.980 -1.188 -4.071) 8.167 14.257 ( 2.178 16.870 2.866) 17.249 14.937 ( 1.027 -13.777 4.740) 14.606 15.149 ( -11.545 4.026 3.797) 12.803 15.452 ( 4.400 2.743 3.568) 6.294 16.106 ( -2.398 -5.805 -2.257) 6.674 16.205 ( 1.428 -1.980 -3.086) 3.935 16.440 ( 0.752 1.443 2.864) 3.294 16.650 ( 4.764 13.121 -5.339) 14.945 17.712 ( -4.263 1.178 3.219) 5.470 17.854 ( 5.098 0.940 -1.748) 5.471 19.814 ( -4.126 -16.423 7.723) 18.612 20.304 ( -9.876 6.772 12.781) 17.514 20.898 ( 9.633 2.918 4.667) 11.094 21.770 ( -1.897 -5.441 -9.944) 11.493 ======================= Grid point 127 (59/172) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -10.237 -8.971 10.417) 17.140 3.593 ( -23.412 7.646 24.207) 34.533 4.299 ( -1.830 -16.358 8.933) 18.728 4.773 ( 1.123 8.256 0.947) 8.385 5.113 ( -0.472 7.399 -1.427) 7.550 5.764 ( 18.653 7.846 7.118) 21.451 6.765 ( -1.546 -1.634 7.149) 7.495 6.820 ( 2.446 -6.127 0.258) 6.602 7.403 ( -5.428 3.300 -4.314) 7.679 8.398 ( 0.051 -11.418 -5.743) 12.781 9.003 ( -6.605 1.527 -2.945) 7.391 9.239 ( 8.849 -6.400 -11.766) 16.053 9.441 ( -7.835 -5.066 -2.016) 9.546 9.743 ( 0.078 -4.524 2.356) 5.101 10.141 ( 4.522 -8.503 -1.120) 9.695 10.696 ( -2.363 4.328 -3.825) 6.241 10.830 ( -9.764 -0.949 11.491) 15.109 10.973 ( 7.009 5.496 -7.220) 11.466 11.454 ( -2.206 0.298 -12.243) 12.443 12.199 ( -8.669 -2.159 -10.105) 13.488 12.372 ( 10.384 -5.006 -5.491) 12.769 12.818 ( -0.848 0.887 -3.017) 3.257 13.216 ( 4.689 9.616 4.190) 11.489 13.529 ( 7.056 15.690 -2.195) 17.343 13.885 ( 13.396 -4.513 -0.579) 14.148 14.426 ( -0.887 16.019 1.545) 16.117 14.899 ( -1.013 -14.871 4.765) 15.648 15.125 ( -8.515 2.888 6.969) 11.376 15.546 ( 0.618 1.358 2.478) 2.893 16.026 ( -5.153 1.970 0.325) 5.526 16.168 ( 4.358 -7.663 -2.808) 9.252 16.518 ( 4.800 1.309 1.695) 5.256 16.713 ( 3.476 10.045 -4.964) 11.731 17.733 ( -6.021 3.290 6.811) 9.668 17.906 ( 6.810 -0.259 -2.078) 7.125 19.718 ( -5.589 -15.510 4.172) 17.006 20.299 ( -18.529 5.693 6.281) 20.376 21.164 ( 18.135 1.464 3.803) 18.587 21.537 ( -5.782 -5.959 -9.351) 12.505 ======================= Grid point 128 (60/172) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -16.801 -9.355 0.440) 19.235 3.614 ( -31.035 4.046 22.341) 38.454 4.311 ( -5.200 -15.175 11.156) 19.539 4.724 ( -7.263 6.390 -7.664) 12.342 5.202 ( 7.703 5.169 1.126) 9.345 6.133 ( 15.018 4.531 6.983) 17.171 6.564 ( -9.628 -11.685 -3.730) 15.593 7.044 ( 10.366 1.659 7.827) 13.095 7.349 ( -3.400 5.216 -1.030) 6.311 8.311 ( 3.766 -7.801 -0.002) 8.662 8.884 ( -2.179 3.433 -5.646) 6.958 9.194 ( 9.133 0.214 -9.209) 12.971 9.245 ( -5.336 -7.038 -7.447) 11.553 9.721 ( -1.207 -0.402 -1.364) 1.865 10.147 ( 7.442 -8.396 -0.375) 11.226 10.572 ( -6.909 5.360 -8.255) 12.025 10.708 ( -16.086 -10.788 3.957) 19.769 10.983 ( 0.486 -1.691 -5.618) 5.887 11.276 ( 2.759 3.015 -8.397) 9.339 12.144 ( 2.526 10.301 1.324) 10.688 12.400 ( 12.363 -5.478 -6.727) 15.103 12.836 ( 3.241 2.360 0.756) 4.079 13.400 ( 3.384 11.227 5.726) 13.050 13.659 ( 4.923 15.252 -6.471) 17.284 14.093 ( 17.440 -7.009 6.062) 19.749 14.487 ( -7.196 10.559 0.250) 12.781 14.851 ( -1.079 -10.886 4.063) 11.669 15.165 ( -5.466 2.200 7.926) 9.876 15.561 ( -0.781 0.620 -0.637) 1.183 15.979 ( -6.831 4.988 -1.440) 8.580 16.146 ( 2.711 -9.331 2.932) 10.150 16.613 ( 6.451 1.953 -1.436) 6.891 16.755 ( 4.203 4.174 -1.755) 6.178 17.804 ( -4.942 4.613 7.918) 10.412 17.968 ( 6.124 0.101 0.412) 6.139 19.575 ( -7.077 -12.526 1.606) 14.477 20.127 ( -18.839 1.955 -0.424) 18.945 21.235 ( -2.823 -4.146 -13.710) 14.599 21.497 ( 12.901 0.190 8.056) 15.211 ======================= Grid point 129 (61/172) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -22.089 -11.924 0.455) 25.106 3.517 ( -38.393 4.228 19.845) 43.425 4.153 ( -15.982 -18.608 -1.839) 24.598 4.527 ( -8.406 0.843 -3.899) 9.304 5.439 ( 14.439 7.575 4.655) 16.956 6.264 ( -5.095 -9.790 -5.603) 12.377 6.459 ( 7.956 -0.639 8.127) 11.391 7.173 ( -6.209 9.409 -0.316) 11.277 7.425 ( 11.403 -3.765 3.773) 12.587 8.339 ( 4.815 -6.541 2.219) 8.420 8.818 ( -2.998 14.179 -13.124) 19.552 9.063 ( 5.164 -5.468 -3.167) 8.161 9.192 ( 8.718 1.366 -8.472) 12.232 9.686 ( 3.585 0.767 -5.521) 6.627 10.171 ( 7.017 -5.469 -2.956) 9.375 10.396 ( -9.309 4.027 -6.823) 12.224 10.509 ( -13.169 -11.555 10.162) 20.254 10.797 ( -6.402 -2.065 -7.666) 10.199 11.353 ( 6.719 2.670 1.866) 7.467 12.309 ( 8.444 7.744 -0.865) 11.490 12.451 ( 9.845 -1.554 0.085) 9.968 12.901 ( 6.391 4.463 -4.006) 8.764 13.646 ( 2.035 3.841 12.202) 12.953 13.720 ( 5.763 16.631 -7.713) 19.217 14.270 ( 5.570 -7.256 -2.212) 9.411 14.480 ( -0.943 3.654 6.318) 7.360 14.821 ( -1.107 -6.426 1.421) 6.674 15.239 ( -2.250 4.899 5.159) 7.461 15.537 ( 0.009 -0.112 -1.372) 1.377 15.877 ( -6.838 -0.406 -2.688) 7.359 16.168 ( -1.961 -5.122 5.815) 7.993 16.625 ( 0.949 3.392 -5.568) 6.588 16.876 ( 9.080 -0.912 4.769) 10.296 17.861 ( 0.929 0.950 0.125) 1.335 18.118 ( 2.085 4.642 11.072) 12.185 19.403 ( -9.427 -8.252 -0.342) 12.534 19.850 ( -16.283 -2.564 -6.487) 17.714 20.962 ( -6.805 -3.824 -9.846) 12.565 21.779 ( 13.882 2.048 5.044) 14.911 ======================= Grid point 130 (62/172) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -22.701 -16.388 9.143) 29.454 3.204 ( -39.530 -5.881 0.527) 39.968 3.629 ( -37.019 -14.842 2.483) 39.961 4.469 ( -3.455 -0.707 3.622) 5.055 5.744 ( 15.037 9.894 0.187) 18.001 6.035 ( -7.447 -10.249 -1.861) 12.805 6.615 ( 6.925 -3.147 -2.956) 8.160 7.224 ( -4.327 17.373 9.109) 20.087 7.506 ( 7.536 -11.693 -5.494) 14.956 8.406 ( 6.160 -2.635 3.588) 7.600 8.659 ( -1.601 9.299 -11.482) 14.862 9.171 ( 10.843 2.305 -7.989) 13.664 9.237 ( 12.855 7.512 -0.050) 14.889 9.660 ( 8.004 -1.234 -8.373) 11.648 10.152 ( 3.547 0.870 -6.070) 7.084 10.227 ( -10.649 -0.248 1.014) 10.700 10.514 ( -3.919 -10.394 11.684) 16.122 10.644 ( -5.913 0.953 1.263) 6.121 11.453 ( -0.120 -0.304 4.394) 4.406 12.405 ( 13.238 -5.607 -5.406) 15.360 12.644 ( 7.521 11.526 4.456) 14.466 12.984 ( 9.240 6.291 -2.267) 11.406 13.685 ( -2.610 7.224 -5.259) 9.309 13.912 ( 3.847 -3.088 6.836) 8.430 14.143 ( -5.988 1.077 -2.993) 6.781 14.663 ( 8.214 2.810 4.541) 9.797 14.738 ( -0.964 -8.008 -4.550) 9.261 15.314 ( -0.369 9.255 -0.114) 9.263 15.555 ( 1.831 -0.560 3.100) 3.644 15.737 ( -6.800 -7.170 0.719) 9.907 16.145 ( -1.738 -6.222 -2.454) 6.911 16.588 ( -5.121 4.982 2.547) 7.585 17.071 ( 8.884 2.066 3.988) 9.955 17.869 ( 5.586 -4.434 -1.669) 7.325 18.370 ( 1.077 6.097 13.466) 14.822 19.209 ( -12.298 -3.291 -1.157) 12.784 19.500 ( -13.567 -5.964 -10.638) 18.242 20.749 ( -6.130 -2.582 -4.548) 8.058 22.012 ( 11.379 3.956 1.665) 12.162 ======================= Grid point 131 (63/172) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -17.468 -23.555 22.464) 36.941 2.396 ( -40.370 -26.797 -18.375) 51.822 3.235 ( -49.041 3.584 21.313) 53.592 4.480 ( -3.313 -1.972 4.397) 5.847 5.859 ( -7.035 13.721 -3.530) 15.818 5.961 ( 12.160 -8.720 -3.365) 15.337 6.515 ( 1.655 -3.985 -12.250) 12.988 7.217 ( -3.401 -11.818 -15.407) 19.713 7.646 ( 5.023 22.279 17.716) 28.904 8.576 ( 8.446 -4.446 9.540) 13.495 8.607 ( 7.043 3.177 -8.538) 11.515 9.201 ( 9.800 3.785 -6.134) 12.165 9.510 ( 14.642 14.638 -0.779) 20.719 9.625 ( 7.444 -5.912 -5.916) 11.196 10.109 ( 1.319 6.068 -6.537) 9.016 10.171 ( -6.004 -3.072 5.873) 8.943 10.484 ( -2.074 -8.467 3.991) 9.587 10.762 ( -0.843 0.401 14.051) 14.082 11.490 ( -4.757 -2.239 7.746) 9.362 12.421 ( 11.840 -6.041 -8.085) 15.558 12.889 ( 6.637 13.208 2.474) 14.987 13.156 ( 9.350 5.298 1.000) 10.793 13.564 ( -8.234 4.269 -4.979) 10.526 13.880 ( 0.481 -10.582 -0.914) 10.632 14.148 ( 1.348 -0.232 0.287) 1.398 14.527 ( -7.303 -4.763 -9.248) 12.710 14.843 ( 8.019 7.586 0.321) 11.043 15.306 ( -5.508 4.064 -5.075) 8.521 15.641 ( 5.396 -0.755 5.133) 7.486 15.739 ( 0.457 -6.322 12.790) 14.275 15.936 ( -1.204 -11.078 -13.753) 17.701 16.666 ( -7.778 7.557 11.840) 16.056 17.160 ( 1.554 7.188 -8.718) 11.406 17.942 ( 12.083 -10.486 4.564) 16.636 18.529 ( -1.057 -0.336 0.909) 1.434 19.010 ( -13.784 5.008 -6.057) 15.868 19.213 ( -8.898 -5.874 4.785) 11.687 20.639 ( -4.786 -1.399 0.471) 5.009 22.163 ( 7.947 5.663 -2.899) 10.180 ======================= Grid point 132 (64/172) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -38.621 -24.748 -3.862) 46.032 1.683 ( -10.508 -29.795 32.750) 45.506 3.018 ( -47.478 10.224 27.071) 55.601 4.484 ( -3.361 -2.550 5.057) 6.586 5.816 ( -5.930 15.741 -8.390) 18.797 5.956 ( 2.430 -9.088 -0.519) 9.421 6.254 ( 1.790 -4.601 -19.958) 20.560 6.898 ( -7.671 -6.480 -5.419) 11.411 8.099 ( 5.336 19.775 6.203) 21.401 8.603 ( 13.956 -1.869 -7.389) 15.901 8.794 ( 12.306 -6.918 5.157) 15.029 9.349 ( 6.916 11.565 5.727) 14.641 9.581 ( 4.917 -8.022 -2.108) 9.642 9.799 ( 14.430 15.138 -2.139) 21.022 10.098 ( 4.925 1.860 -4.506) 6.930 10.166 ( -3.343 -4.751 5.190) 7.790 10.507 ( -0.980 -4.476 7.851) 9.090 10.923 ( -2.002 -0.595 8.793) 9.038 11.566 ( -3.945 -2.586 13.931) 14.708 12.379 ( 7.490 -3.324 -10.614) 13.409 12.966 ( -1.245 3.879 -8.620) 9.534 13.219 ( -3.061 4.710 1.063) 5.717 13.573 ( 6.833 2.187 -1.254) 7.284 13.802 ( 3.523 -3.518 -5.182) 7.186 14.091 ( -0.666 -11.414 -0.621) 11.450 14.304 ( -10.340 6.351 -4.293) 12.872 14.958 ( 2.467 9.006 -5.495) 10.835 15.184 ( -1.447 -0.648 -1.042) 1.898 15.604 ( -1.110 -14.592 -14.490) 20.594 15.851 ( 7.783 -0.388 10.090) 12.749 15.929 ( 5.035 -2.135 11.541) 12.771 16.790 ( -8.960 7.258 10.573) 15.644 16.945 ( -8.715 4.276 -18.674) 21.047 18.016 ( 8.473 -16.509 -6.725) 19.737 18.346 ( -8.857 3.052 -11.983) 15.210 18.938 ( 0.247 7.196 8.851) 11.409 19.325 ( -3.262 -2.832 19.483) 19.956 20.606 ( -4.431 -0.249 3.488) 5.644 22.206 ( 3.861 5.057 -6.791) 9.306 ======================= Grid point 135 (65/172) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 3.819 -13.351 25.904) 29.391 3.322 ( 15.930 12.647 22.716) 30.491 4.249 ( -9.868 0.154 20.760) 22.987 4.762 ( 3.402 -1.512 4.187) 5.602 4.954 ( 1.904 2.170 -8.862) 9.320 5.486 ( -13.528 13.137 1.590) 18.924 6.612 ( -0.998 -4.284 9.773) 10.717 6.886 ( -1.589 4.838 4.329) 6.684 7.540 ( 8.008 -6.968 -11.264) 15.478 8.635 ( -0.029 -11.634 -5.343) 12.802 8.988 ( 4.027 -1.147 -3.930) 5.742 9.391 ( 1.560 -14.091 -2.607) 14.414 9.624 ( 5.477 -0.264 -8.335) 9.977 9.808 ( -1.987 -6.617 -2.657) 7.402 10.204 ( -4.899 -6.086 -0.118) 7.813 10.550 ( 0.958 8.084 18.872) 20.553 10.804 ( 4.052 5.345 -5.624) 8.753 10.890 ( -7.322 7.781 0.492) 10.696 11.705 ( 1.307 2.214 -11.764) 12.041 12.454 ( -7.688 -3.110 -8.751) 12.056 12.638 ( 9.037 -1.507 -3.566) 9.832 12.782 ( 9.255 -7.494 -11.563) 16.599 12.988 ( -5.016 2.614 10.125) 11.598 13.344 ( -4.710 4.593 -17.033) 18.259 13.857 ( -8.621 -0.745 -0.762) 8.686 14.234 ( -0.925 17.177 2.512) 17.384 14.911 ( 1.052 -11.204 5.413) 12.487 15.242 ( 8.994 5.674 4.995) 11.749 15.439 ( -6.752 3.399 0.181) 7.562 15.987 ( 4.340 -9.670 -2.266) 10.839 16.343 ( -2.063 -2.971 -0.325) 3.632 16.496 ( -5.142 5.783 2.251) 8.059 16.566 ( -1.337 12.993 -6.369) 14.532 17.648 ( 4.921 -4.064 2.903) 7.012 17.911 ( -5.298 5.325 -1.165) 7.601 19.876 ( -0.111 -15.526 8.300) 17.606 20.179 ( 14.657 1.505 10.518) 18.103 20.983 ( -11.400 9.458 6.017) 15.988 21.747 ( 3.125 -7.635 -9.511) 12.591 ======================= Grid point 136 (66/172) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -3.524 -9.847 17.519) 20.403 3.858 ( 7.571 15.684 15.132) 23.071 4.298 ( -0.172 -16.519 5.477) 17.404 4.722 ( -6.346 -0.969 4.347) 7.753 5.214 ( 15.660 8.902 10.547) 20.874 5.472 ( -13.378 16.157 4.961) 21.555 6.696 ( -0.132 -3.884 7.958) 8.856 6.918 ( -3.449 -0.416 0.731) 3.550 7.423 ( 4.863 -2.866 -10.110) 11.579 8.433 ( -3.343 -13.898 -4.907) 15.113 8.972 ( 8.629 -3.135 -8.016) 12.188 9.205 ( -6.175 -5.984 -8.422) 12.036 9.593 ( 4.083 -11.974 2.043) 12.814 9.683 ( -2.597 -2.645 -4.057) 5.496 10.096 ( -1.493 -9.237 -1.027) 9.413 10.740 ( 0.597 6.012 -3.525) 6.995 10.868 ( -0.778 8.965 -3.536) 9.669 10.984 ( -1.231 8.064 18.122) 19.873 11.546 ( -3.234 -0.812 -10.161) 10.694 12.185 ( -0.376 -4.985 -10.643) 11.759 12.405 ( -0.439 -12.123 -20.968) 24.225 12.792 ( 1.819 4.491 -4.540) 6.640 13.096 ( 2.281 5.045 3.826) 6.730 13.334 ( 7.216 11.950 3.327) 14.351 13.745 ( -3.812 -2.451 -1.400) 4.744 14.426 ( 0.568 21.856 2.562) 22.013 14.914 ( -0.436 -13.512 6.322) 14.924 15.350 ( -7.863 1.908 3.418) 8.784 15.469 ( 5.498 4.015 3.592) 7.697 15.967 ( 6.499 -10.013 -0.461) 11.946 16.227 ( -7.044 -0.728 -2.074) 7.379 16.509 ( -3.012 5.372 1.106) 6.258 16.625 ( 3.444 11.634 -3.541) 12.640 17.721 ( 4.626 -3.219 2.116) 6.020 17.904 ( -4.321 5.232 3.401) 7.591 19.833 ( -2.968 -16.772 5.620) 17.936 20.526 ( 12.283 4.234 9.721) 16.226 20.915 ( -10.435 5.564 -3.466) 12.323 21.598 ( 1.097 -8.423 -6.518) 10.707 ======================= Grid point 137 (67/172) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -11.958 -5.404 6.269) 14.542 4.131 ( -6.938 1.924 10.940) 13.096 4.310 ( 3.337 -8.406 10.359) 13.752 4.747 ( 4.747 -2.028 -0.174) 5.165 5.390 ( -20.918 12.056 8.780) 25.691 5.712 ( 16.550 9.744 8.702) 21.085 6.754 ( -2.588 -6.074 -2.539) 7.074 6.855 ( 0.649 -1.827 5.944) 6.252 7.353 ( 4.456 0.904 -7.224) 8.536 8.263 ( -1.245 -10.615 -0.644) 10.707 8.895 ( 5.631 -7.833 -10.838) 14.510 9.012 ( 0.048 1.614 -7.104) 7.285 9.426 ( -7.816 -8.337 -7.161) 13.486 9.705 ( 4.522 -3.771 1.178) 6.005 10.005 ( 2.032 -8.377 -2.421) 8.954 10.766 ( -5.568 7.319 -0.403) 9.205 10.818 ( 5.975 6.081 -7.305) 11.227 11.127 ( -15.627 -8.296 9.551) 20.106 11.364 ( -5.410 2.363 -7.216) 9.323 12.079 ( 6.949 -6.250 -7.400) 11.922 12.105 ( 6.335 0.212 -10.545) 12.304 12.777 ( 1.141 3.433 -2.343) 4.310 13.264 ( 8.250 17.431 -2.493) 19.445 13.558 ( 1.890 5.349 4.834) 7.453 13.738 ( 7.963 -2.208 3.016) 8.796 14.604 ( -2.092 22.367 0.128) 22.465 14.876 ( -1.586 -16.771 5.885) 17.844 15.329 ( -6.504 1.456 5.131) 8.411 15.570 ( 1.031 2.208 0.269) 2.451 15.993 ( 7.464 -11.710 1.702) 13.990 16.139 ( -5.537 3.048 1.258) 6.444 16.530 ( -0.599 3.421 0.765) 3.556 16.691 ( 2.255 8.207 -2.455) 8.858 17.770 ( 4.420 -3.802 0.107) 5.831 17.981 ( -3.937 6.879 8.409) 11.556 19.736 ( -5.076 -13.697 3.914) 15.123 20.616 ( -19.230 3.763 -3.013) 19.825 20.902 ( 20.504 0.861 -3.729) 20.858 21.470 ( -2.324 -6.416 -1.549) 6.998 ======================= Grid point 138 (68/172) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -18.659 -3.953 1.885) 19.166 4.123 ( -9.815 -9.307 8.432) 15.939 4.442 ( -4.223 0.004 7.559) 8.659 4.748 ( -1.822 -6.800 1.489) 7.196 5.335 ( -14.664 13.044 5.368) 20.347 6.064 ( 13.135 5.850 4.240) 14.991 6.553 ( -8.029 -8.891 -2.012) 12.147 7.049 ( 9.423 1.135 7.682) 12.211 7.310 ( 4.167 1.208 -8.038) 9.134 8.232 ( 2.396 -8.254 3.579) 9.310 8.785 ( 3.901 2.260 -6.957) 8.290 8.964 ( 6.724 3.759 -11.460) 13.809 9.129 ( -6.436 -8.591 -10.419) 14.959 9.675 ( -0.915 -1.078 -5.807) 5.977 9.979 ( 6.527 -6.699 -1.563) 9.483 10.653 ( -10.940 6.564 -3.032) 13.113 10.877 ( -8.064 -9.807 2.708) 12.982 10.958 ( -6.438 -1.680 3.081) 7.332 11.192 ( -1.560 0.931 -2.971) 3.482 12.074 ( 9.489 1.697 -8.148) 12.622 12.195 ( 11.661 -0.272 2.328) 11.894 12.800 ( 1.872 6.078 -2.568) 6.858 13.466 ( 11.140 17.006 -5.490) 21.058 13.637 ( -0.046 1.321 6.571) 6.703 13.944 ( 12.758 1.028 2.916) 13.128 14.673 ( -7.549 12.778 -0.773) 14.861 14.827 ( 0.276 -11.263 3.740) 11.870 15.343 ( -4.909 2.282 4.234) 6.873 15.554 ( -1.136 0.541 -2.149) 2.490 15.966 ( 0.987 -9.752 -1.124) 9.866 16.195 ( -1.822 0.782 7.400) 7.661 16.577 ( 2.618 2.011 1.882) 3.800 16.740 ( 1.750 4.316 0.100) 4.658 17.779 ( 3.913 -4.662 -1.848) 6.360 18.144 ( -2.506 7.931 12.067) 14.656 19.627 ( -7.666 -8.167 3.518) 11.741 20.265 ( -15.588 -2.458 -12.994) 20.442 21.010 ( 5.237 -0.287 -7.981) 9.551 21.484 ( 6.619 -1.198 5.581) 8.741 ======================= Grid point 139 (69/172) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -23.050 -4.946 3.928) 23.900 3.914 ( -16.865 -16.353 -5.078) 24.034 4.404 ( -14.771 1.850 6.938) 16.423 4.660 ( -14.877 -8.716 8.875) 19.392 5.415 ( 4.450 10.847 1.769) 11.857 6.176 ( 0.402 0.452 -4.177) 4.220 6.481 ( 0.106 -2.132 4.817) 5.269 7.250 ( 4.518 1.053 -7.930) 9.188 7.280 ( 9.121 0.277 6.169) 11.015 8.269 ( 4.030 -7.459 3.702) 9.251 8.737 ( -2.855 8.305 -17.976) 20.006 8.886 ( 10.339 6.019 -2.957) 12.324 8.998 ( 5.299 -0.381 -5.761) 7.836 9.540 ( 0.696 -0.594 -10.402) 10.443 10.000 ( 7.353 -2.618 -3.287) 8.469 10.524 ( -12.564 2.281 1.889) 12.908 10.715 ( -10.532 -10.336 5.208) 15.649 10.869 ( -11.552 -1.238 6.433) 13.280 11.343 ( 8.457 2.433 7.177) 11.355 12.100 ( 10.500 -2.174 -5.667) 12.128 12.365 ( 13.106 1.659 -1.260) 13.270 12.843 ( 2.649 8.414 -2.066) 9.060 13.592 ( 9.489 11.023 -8.141) 16.668 13.794 ( 3.535 -3.624 8.395) 9.803 14.117 ( 8.693 9.368 -3.034) 13.135 14.614 ( -6.015 -7.539 4.292) 10.557 14.804 ( -1.994 2.633 -2.272) 4.009 15.351 ( -2.556 5.083 0.167) 5.692 15.530 ( -0.134 0.899 0.006) 0.909 15.871 ( -2.733 -12.992 1.169) 13.327 16.216 ( -4.302 -2.003 0.270) 4.753 16.680 ( -0.920 4.907 6.330) 8.062 16.845 ( 7.333 0.452 5.441) 9.142 17.749 ( 3.641 -6.151 -3.256) 7.854 18.363 ( -0.183 6.294 12.308) 13.825 19.521 ( -11.539 -1.465 3.231) 12.071 19.841 ( -12.893 -5.428 -15.898) 21.177 20.881 ( -3.741 -1.208 -6.810) 7.864 21.701 ( 12.325 2.796 3.957) 13.243 ======================= Grid point 140 (70/172) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -22.876 -8.500 10.300) 26.488 3.313 ( -30.797 -22.326 -13.641) 40.410 4.302 ( -30.678 2.212 13.956) 33.776 4.544 ( -5.170 -8.168 4.241) 10.556 5.590 ( 12.292 5.210 -2.931) 13.668 6.102 ( -6.951 6.419 -1.170) 9.534 6.491 ( -1.062 -2.157 -3.316) 4.096 7.185 ( 5.211 -9.853 -8.017) 13.730 7.506 ( 8.073 13.575 6.379) 17.034 8.347 ( 6.655 -5.115 3.196) 8.981 8.540 ( 0.809 2.552 -10.162) 10.509 8.999 ( 5.152 7.021 -5.378) 10.235 9.106 ( 15.395 12.752 -2.036) 20.094 9.423 ( 5.951 -1.327 -9.788) 11.532 10.030 ( 5.781 3.949 -4.946) 8.572 10.431 ( -12.924 -1.042 6.893) 14.684 10.596 ( -7.497 -8.437 3.701) 11.878 10.899 ( -9.045 -2.848 16.876) 19.358 11.529 ( 2.275 -1.181 7.569) 7.991 12.132 ( 10.022 -3.917 -5.053) 11.888 12.565 ( 18.027 5.169 -0.656) 18.765 12.938 ( 5.915 9.427 -1.495) 11.229 13.653 ( 4.658 5.435 -6.084) 9.394 13.810 ( 3.628 -7.335 -4.979) 9.579 14.179 ( -2.783 4.152 -2.784) 5.722 14.588 ( 1.595 -7.488 2.457) 8.041 14.770 ( -2.923 8.682 -0.714) 9.188 15.384 ( -0.244 6.020 0.586) 6.054 15.538 ( 1.797 0.593 -2.500) 3.135 15.769 ( -2.520 -17.148 6.890) 18.651 16.071 ( -8.064 -3.145 -5.779) 10.408 16.802 ( -3.085 4.879 9.308) 10.953 17.046 ( 7.136 3.059 4.305) 8.878 17.708 ( 5.888 -9.560 -1.363) 11.311 18.535 ( 0.495 -0.029 5.495) 5.518 19.371 ( -13.096 5.036 -9.420) 16.900 19.476 ( -12.334 -4.454 0.426) 13.120 20.757 ( -4.312 0.243 -1.979) 4.750 21.910 ( 11.671 4.556 -0.521) 12.540 ======================= Grid point 141 (71/172) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -17.683 -15.464 18.910) 30.157 2.507 ( -39.614 -22.525 -9.525) 46.556 4.085 ( -35.837 3.123 14.376) 38.739 4.529 ( 0.740 -6.731 3.556) 7.649 5.673 ( 10.907 0.949 -9.063) 14.213 6.072 ( -7.838 12.642 0.057) 14.875 6.337 ( -7.098 -2.451 -8.044) 11.004 7.007 ( -0.730 -9.945 -7.279) 12.346 7.897 ( 14.895 21.397 8.495) 27.420 8.314 ( 4.442 -7.707 -12.130) 15.041 8.549 ( 6.838 -4.521 3.107) 8.767 9.139 ( 8.456 13.534 3.701) 16.382 9.363 ( 13.932 7.663 -7.586) 17.617 9.408 ( 11.477 3.903 -1.162) 12.178 10.041 ( 1.688 7.136 -6.808) 10.007 10.376 ( -11.553 -3.165 8.971) 14.966 10.537 ( -2.979 -8.172 7.018) 11.176 11.035 ( -7.192 -3.362 17.719) 19.417 11.624 ( -0.233 -4.097 8.062) 9.047 12.153 ( 8.730 -2.005 -5.691) 10.612 12.825 ( 13.205 6.592 -0.810) 14.781 13.091 ( 11.115 8.728 -1.589) 14.221 13.509 ( 1.961 -8.008 -15.578) 17.625 13.768 ( -2.664 2.778 -0.976) 3.971 14.093 ( 0.585 -5.663 -1.564) 5.904 14.526 ( -6.728 0.439 -1.922) 7.011 14.871 ( 2.990 10.644 1.004) 11.102 15.311 ( -5.705 -4.236 -5.588) 9.039 15.618 ( 6.862 -0.470 2.423) 7.292 15.697 ( -2.371 -12.270 -1.824) 12.629 15.920 ( -4.777 -1.628 6.557) 8.275 16.928 ( -2.630 3.940 7.397) 8.784 17.092 ( -2.758 4.906 -6.741) 8.782 17.752 ( 10.575 -13.416 2.480) 17.262 18.486 ( -2.934 -6.326 -5.017) 8.591 19.109 ( -10.248 9.964 -8.489) 16.624 19.454 ( -8.048 -1.349 13.799) 16.031 20.720 ( -4.336 2.421 2.658) 5.632 22.037 ( 9.291 4.846 -5.234) 11.713 ======================= Grid point 142 (72/172) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -32.283 -15.875 7.806) 36.812 2.080 ( -11.981 -19.483 26.583) 35.069 3.907 ( -30.173 5.276 15.872) 34.499 4.550 ( -1.298 -3.353 4.916) 6.091 5.635 ( 9.010 -0.046 -14.011) 16.658 6.010 ( -7.898 3.965 -13.768) 16.360 6.144 ( -10.758 5.998 8.432) 14.926 6.877 ( -2.279 -3.216 -1.594) 4.252 8.070 ( 3.178 -13.210 -15.626) 20.707 8.391 ( 18.075 22.416 6.595) 29.541 8.658 ( 9.357 -4.075 1.730) 10.351 9.353 ( 7.130 -3.873 -4.510) 9.283 9.465 ( 9.589 9.612 6.425) 15.021 9.671 ( 14.661 13.311 -2.668) 19.981 9.996 ( 2.018 3.446 -5.106) 6.482 10.344 ( -10.365 -4.280 9.428) 14.651 10.603 ( 0.526 -2.331 8.040) 8.388 11.144 ( -8.328 -3.389 13.399) 16.137 11.737 ( 2.619 -4.773 11.266) 12.513 12.139 ( 5.102 -0.029 -8.470) 9.888 12.902 ( -0.788 2.811 -3.860) 4.840 13.168 ( 7.081 -4.087 -14.143) 16.336 13.299 ( 6.793 -0.614 -10.098) 12.186 13.785 ( 0.735 8.070 1.475) 8.236 14.088 ( -0.453 -6.062 4.862) 7.784 14.410 ( -7.979 4.606 -3.280) 9.780 14.921 ( -1.210 4.137 -5.921) 7.324 15.164 ( -0.106 -8.770 -0.634) 8.794 15.385 ( -6.535 -5.025 -8.792) 12.052 15.864 ( 8.842 0.262 7.236) 11.428 16.046 ( 2.543 -1.328 10.833) 11.207 16.840 ( -8.510 2.826 -13.846) 16.497 17.037 ( -6.214 3.168 4.501) 8.301 17.715 ( 4.267 -16.613 -5.812) 18.110 18.330 ( -5.970 2.853 -6.756) 9.456 19.088 ( 1.862 9.367 5.031) 10.794 19.594 ( -2.304 -5.807 16.646) 17.780 20.746 ( -5.211 4.432 5.608) 8.846 22.065 ( 6.163 3.168 -8.308) 10.818 ======================= Grid point 145 (73/172) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 11.346 -6.049 16.805) 21.160 3.398 ( 21.781 -3.676 16.633) 27.651 4.391 ( -3.477 -12.629 0.442) 13.106 4.694 ( 12.051 5.700 4.242) 13.989 5.084 ( -10.256 7.019 3.350) 12.871 5.872 ( -14.595 15.045 9.973) 23.212 6.751 ( -0.903 -1.702 8.041) 8.269 6.967 ( -0.749 4.159 1.049) 4.354 7.249 ( 4.807 -8.663 -7.322) 12.319 8.479 ( 1.796 -6.272 -4.340) 7.836 8.827 ( 1.639 -8.998 -4.809) 10.333 9.331 ( -1.774 -6.930 0.385) 7.163 9.427 ( 3.526 1.355 -10.477) 11.137 9.713 ( 1.198 -8.129 -2.950) 8.731 10.223 ( -5.791 -3.672 -1.684) 7.061 10.662 ( 3.488 1.598 -9.977) 10.689 10.825 ( 8.631 2.041 18.183) 20.231 11.048 ( -6.439 10.184 -0.176) 12.050 11.499 ( 4.936 2.024 -13.259) 14.292 12.178 ( 11.261 -6.641 -16.800) 21.287 12.462 ( -15.467 -2.490 -9.123) 18.129 12.746 ( 0.468 3.029 3.909) 4.967 13.194 ( 0.363 4.541 7.214) 8.532 13.276 ( -11.385 0.492 -7.114) 13.433 13.984 ( -12.434 -1.325 -0.155) 12.505 14.413 ( 0.202 19.392 2.911) 19.611 14.912 ( 1.073 -9.900 6.976) 12.158 15.228 ( 11.506 4.604 5.909) 13.730 15.522 ( -3.426 0.886 -0.017) 3.538 15.857 ( 1.287 -8.831 -1.603) 9.067 16.316 ( 2.636 -4.051 0.936) 4.923 16.605 ( -4.985 10.712 -6.122) 13.307 16.653 ( -6.817 8.920 1.230) 11.294 17.619 ( 3.439 -5.763 5.415) 8.623 18.003 ( -3.603 6.710 0.004) 7.616 19.841 ( 3.353 -13.349 4.184) 14.385 20.086 ( 16.745 -1.875 5.665) 17.776 21.297 ( -14.858 10.422 1.887) 18.247 21.495 ( 6.393 -9.259 -6.821) 13.158 ======================= Grid point 146 (74/172) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 1.723 -3.695 11.589) 12.285 3.859 ( 22.687 -4.516 9.657) 25.067 4.236 ( -0.037 -10.033 0.747) 10.061 4.842 ( -5.329 1.334 0.601) 5.526 5.272 ( 11.745 10.200 12.800) 20.145 5.955 ( -17.267 16.076 11.910) 26.428 6.809 ( -4.731 -0.621 5.923) 7.606 6.934 ( -2.991 -3.776 -2.256) 5.319 7.149 ( 8.726 -6.063 -9.731) 14.409 8.364 ( -4.575 -7.399 -1.074) 8.766 8.724 ( 4.693 -7.074 -6.166) 10.492 9.101 ( -4.960 -2.519 -14.151) 15.205 9.503 ( 8.386 -5.904 6.410) 12.094 9.581 ( -1.741 -6.362 -8.198) 10.522 10.057 ( -6.060 -7.292 -3.330) 10.049 10.607 ( 6.370 4.166 -8.264) 11.235 11.012 ( -9.310 9.735 0.384) 13.475 11.266 ( 10.365 0.589 17.508) 20.355 11.407 ( 3.487 1.350 -8.755) 9.520 11.969 ( 5.320 -8.582 -17.540) 20.238 12.064 ( -13.452 -6.925 -9.786) 18.019 12.812 ( -2.890 5.719 0.355) 6.418 13.154 ( -2.374 13.939 -3.612) 14.594 13.410 ( 6.689 4.271 9.376) 12.284 13.813 ( -9.689 -2.521 -0.486) 10.023 14.620 ( 0.249 22.665 1.976) 22.752 14.925 ( -1.717 -11.813 5.860) 13.297 15.461 ( 6.627 1.480 5.135) 8.514 15.472 ( -2.918 1.086 0.250) 3.124 15.822 ( 4.718 -10.554 1.227) 11.625 16.276 ( -4.167 -3.184 0.748) 5.297 16.589 ( -0.737 7.976 -2.151) 8.294 16.661 ( -3.362 9.374 -0.694) 9.983 17.681 ( 2.514 -6.117 3.914) 7.685 18.063 ( -2.357 8.203 5.498) 10.153 19.809 ( -0.267 -14.322 4.151) 14.914 20.367 ( 20.648 0.848 -1.330) 20.709 21.066 ( -14.685 1.994 -8.194) 16.934 21.482 ( 0.359 -3.982 0.865) 4.091 ======================= Grid point 147 (75/172) ======================= q-point: ( 0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( -10.501 0.197 5.266) 11.749 4.087 ( 11.676 -24.295 8.121) 28.152 4.352 ( 10.541 7.843 1.812) 13.263 4.768 ( -6.245 3.061 0.371) 6.965 5.670 ( 10.581 3.246 10.345) 15.150 5.983 ( -20.064 15.555 10.446) 27.452 6.753 ( -8.700 -2.741 -2.011) 9.340 6.880 ( 3.169 -2.838 2.747) 5.064 7.098 ( 11.318 -5.725 -9.740) 15.992 8.261 ( -4.253 -5.316 1.793) 7.040 8.668 ( 4.851 -2.480 -5.398) 7.670 8.862 ( 0.761 -1.158 -11.821) 11.902 9.319 ( -7.000 -6.914 -12.338) 15.780 9.634 ( 4.828 -1.361 0.511) 5.042 9.905 ( -1.173 -5.636 -3.901) 6.954 10.673 ( 10.570 4.620 -1.601) 11.646 10.945 ( -10.839 7.685 0.141) 13.288 11.235 ( -6.870 -7.749 -3.751) 11.014 11.523 ( -15.710 -3.811 8.038) 18.054 11.752 ( 16.038 -6.504 -12.450) 21.320 11.917 ( 6.181 0.559 0.093) 6.207 12.810 ( -2.889 6.046 -0.194) 6.703 13.244 ( 4.293 16.837 -4.289) 17.897 13.637 ( 5.008 1.921 5.683) 7.814 13.735 ( -1.125 3.502 1.676) 4.042 14.780 ( -0.709 18.380 -0.603) 18.403 14.862 ( -3.684 -11.682 2.663) 12.535 15.449 ( -3.007 1.294 1.396) 3.559 15.567 ( 1.074 0.675 0.230) 1.289 15.857 ( 6.166 -13.938 5.460) 16.189 16.255 ( -2.662 1.032 4.699) 5.499 16.582 ( -2.727 2.852 -0.545) 3.984 16.703 ( 1.280 6.687 -0.415) 6.821 17.707 ( 1.620 -6.665 2.462) 7.287 18.203 ( -1.873 8.482 8.487) 12.144 19.768 ( -2.974 -8.558 5.098) 10.396 20.437 ( 9.235 -5.055 -19.434) 22.102 20.889 ( -4.768 5.517 2.450) 7.692 21.442 ( -1.384 -3.864 -0.264) 4.113 ======================= Grid point 149 (76/172) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -18.151 1.668 3.662) 18.591 4.098 ( 2.535 -24.150 4.495) 24.695 4.484 ( 4.315 1.803 -3.040) 5.578 4.790 ( 0.453 3.765 4.445) 5.843 5.726 ( -15.146 -0.070 3.746) 15.603 6.108 ( -2.189 13.881 7.456) 15.908 6.599 ( -7.492 -2.935 1.225) 8.139 7.010 ( 11.536 -0.419 2.179) 11.748 7.053 ( 9.489 -6.241 -8.744) 14.334 8.228 ( -0.706 -5.162 2.885) 5.955 8.650 ( 6.481 4.400 -7.916) 11.137 8.748 ( 2.323 4.428 -12.126) 13.116 9.019 ( -5.651 -3.847 -7.347) 10.035 9.581 ( -2.162 1.761 -9.471) 9.873 9.842 ( 4.068 -2.501 -3.842) 6.129 10.811 ( -4.014 1.214 3.514) 5.471 10.916 ( -2.265 4.012 3.425) 5.741 11.081 ( -3.740 -4.359 4.434) 7.256 11.325 ( -16.946 -6.481 8.126) 19.880 11.798 ( 15.966 -0.781 -9.019) 18.354 12.065 ( 8.706 -3.287 2.360) 9.600 12.821 ( -0.883 7.070 -1.850) 7.362 13.344 ( 7.185 10.753 -5.960) 14.240 13.722 ( 2.512 -2.896 3.304) 5.061 13.893 ( 7.260 14.418 1.617) 16.223 14.747 ( -2.758 -19.241 3.461) 19.743 14.860 ( -3.010 19.915 -4.957) 20.742 15.430 ( -2.851 2.674 -1.654) 4.244 15.551 ( -1.471 0.802 -0.666) 1.803 15.886 ( 1.360 -16.470 6.697) 17.832 16.319 ( -2.696 0.006 4.342) 5.111 16.611 ( 2.988 1.206 5.393) 6.283 16.764 ( 1.230 3.724 1.370) 4.155 17.694 ( 0.600 -7.238 0.750) 7.302 18.369 ( -0.195 5.698 8.535) 10.265 19.757 ( -6.536 -0.047 5.247) 8.382 20.094 ( -4.614 -6.702 -20.040) 21.629 20.928 ( -0.683 4.229 -3.463) 5.509 21.452 ( 5.899 -1.232 2.110) 6.384 ======================= Grid point 150 (77/172) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -22.120 0.173 4.272) 22.529 3.890 ( -12.913 -20.552 -2.546) 24.405 4.446 ( 2.044 -7.374 -1.946) 7.895 4.900 ( -1.932 -0.285 6.439) 6.728 5.540 ( -12.329 1.553 -2.938) 12.770 6.223 ( -5.127 12.314 2.492) 13.570 6.584 ( -5.122 0.688 5.885) 7.832 6.986 ( 10.042 -7.235 -9.599) 15.663 7.208 ( 14.126 -0.433 1.829) 14.250 8.249 ( 2.054 -3.690 3.356) 5.395 8.525 ( 0.387 5.860 -16.932) 17.921 8.744 ( 11.009 4.879 -2.955) 12.399 8.973 ( -1.213 10.835 -1.710) 11.036 9.389 ( -3.014 2.659 -12.262) 12.903 9.850 ( 7.174 1.836 -4.434) 8.631 10.758 ( -11.035 -5.414 7.606) 14.455 10.874 ( -13.360 2.108 4.898) 14.385 11.170 ( -10.280 -3.776 14.776) 18.393 11.376 ( 6.837 -0.650 10.452) 12.506 11.882 ( 12.847 -0.372 -4.181) 13.515 12.140 ( 11.242 -4.365 -2.330) 12.283 12.835 ( 2.204 6.741 -4.377) 8.334 13.422 ( 9.840 4.546 -6.740) 12.764 13.731 ( 2.914 -0.100 -4.573) 5.423 14.140 ( 5.852 14.791 2.913) 16.171 14.610 ( -2.578 -21.126 4.020) 21.659 14.869 ( -3.859 16.080 -5.452) 17.412 15.386 ( -1.121 4.028 -2.575) 4.910 15.534 ( -0.897 1.620 -2.384) 3.018 15.844 ( -2.935 -19.049 7.723) 20.763 16.272 ( -6.687 -2.859 -0.050) 7.272 16.824 ( 4.367 3.831 10.222) 11.758 16.841 ( 4.841 -0.100 4.345) 6.506 17.639 ( -0.062 -8.266 -0.706) 8.296 18.505 ( 1.758 -0.279 5.052) 5.356 19.614 ( -6.262 0.535 -17.440) 18.538 19.833 ( -13.837 2.113 6.395) 15.389 20.846 ( -2.684 2.380 -5.013) 6.164 21.603 ( 11.620 2.299 0.542) 11.858 ======================= Grid point 151 (78/172) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -21.070 -4.772 6.849) 22.663 3.407 ( -29.761 -18.941 -4.999) 35.630 4.427 ( 5.917 -10.190 1.750) 11.913 4.812 ( -18.952 -5.127 2.630) 19.809 5.444 ( 5.118 2.525 -6.644) 8.759 6.258 ( -8.129 14.891 -0.207) 16.967 6.560 ( -8.867 1.115 2.049) 9.169 6.924 ( 7.524 -10.178 -6.181) 14.086 7.432 ( 18.731 3.944 -0.523) 19.149 8.288 ( 1.288 1.077 -2.055) 2.654 8.416 ( 4.010 1.022 -5.328) 6.747 8.951 ( 10.367 10.068 4.094) 15.020 9.014 ( 5.397 14.643 -7.077) 17.135 9.267 ( 0.856 5.272 -5.719) 7.825 9.918 ( 7.648 7.343 -4.615) 11.563 10.699 ( -9.787 -7.093 8.777) 14.938 10.754 ( -17.527 -0.786 5.449) 18.371 11.261 ( -9.730 -4.177 19.433) 22.131 11.563 ( 5.181 -5.034 5.799) 9.263 11.969 ( 6.265 -1.146 -0.159) 6.371 12.342 ( 21.366 3.327 3.128) 21.848 12.856 ( 6.745 7.163 -7.309) 12.257 13.378 ( 7.197 -5.493 -15.677) 18.104 13.763 ( 4.055 9.166 0.383) 10.030 14.165 ( -5.231 -6.514 -5.034) 9.754 14.594 ( 1.841 -4.055 6.008) 7.479 14.864 ( -2.653 13.827 -3.293) 14.459 15.403 ( -0.470 -0.410 -3.017) 3.081 15.457 ( 2.492 -2.285 -1.494) 3.697 15.787 ( -4.095 -13.677 6.631) 15.742 16.134 ( -9.736 -3.503 0.156) 10.348 16.936 ( 1.949 2.138 4.086) 5.007 17.065 ( 5.045 0.836 6.640) 8.381 17.573 ( 2.195 -10.344 0.724) 10.599 18.516 ( 0.594 -7.506 -2.245) 7.857 19.320 ( -5.960 5.852 -12.735) 15.229 19.773 ( -16.292 3.954 7.397) 18.324 20.809 ( -2.267 5.161 0.862) 5.703 21.755 ( 12.365 3.286 -4.008) 13.408 ======================= Grid point 152 (79/172) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -15.472 -14.000 11.475) 23.813 2.797 ( -36.959 -14.928 0.195) 39.860 4.430 ( -4.120 -12.083 -2.452) 13.000 4.592 ( -9.147 1.600 7.018) 11.639 5.423 ( 6.590 -0.687 -9.181) 11.322 6.207 ( -9.584 11.342 -4.872) 15.628 6.474 ( -10.450 2.537 2.252) 10.987 6.868 ( 2.628 -3.850 -2.194) 5.152 7.680 ( 21.898 -4.251 -6.214) 23.156 8.241 ( -0.964 9.489 -4.828) 10.690 8.461 ( 5.984 0.024 2.094) 6.340 9.117 ( 11.958 8.270 -4.523) 15.226 9.261 ( 2.743 11.499 2.063) 12.000 9.338 ( 11.764 11.566 5.050) 17.253 9.981 ( 2.666 9.985 -6.159) 12.031 10.591 ( -8.293 -6.089 2.551) 10.600 10.689 ( -11.045 -4.508 11.828) 16.799 11.380 ( -9.816 -5.202 17.116) 20.405 11.645 ( 4.658 -6.701 5.385) 9.778 12.032 ( 2.857 0.495 0.642) 2.970 12.714 ( 15.021 5.821 5.270) 16.950 12.904 ( 13.170 3.602 -9.715) 16.757 13.147 ( 4.195 -1.581 -17.461) 18.027 13.855 ( -6.168 -4.443 1.658) 7.780 14.009 ( 5.901 3.348 -2.587) 7.262 14.604 ( -6.057 -1.183 0.941) 6.243 14.915 ( 0.801 10.966 -3.310) 11.483 15.212 ( -3.061 -13.992 -4.796) 15.105 15.609 ( 2.639 4.330 2.775) 5.780 15.668 ( -4.205 -8.949 1.391) 9.985 16.056 ( -4.156 -2.755 6.066) 7.852 16.979 ( -2.000 3.093 -4.763) 6.021 17.125 ( -1.253 -1.458 2.852) 3.440 17.576 ( 5.636 -12.800 1.398) 14.056 18.401 ( -0.676 -6.888 -2.577) 7.385 19.175 ( -5.539 11.821 -7.344) 14.979 19.725 ( -9.349 -2.283 9.022) 13.192 20.869 ( -4.183 8.025 5.425) 10.551 21.842 ( 11.187 2.923 -7.746) 13.918 ======================= Grid point 153 (80/172) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -21.360 -18.721 12.965) 31.222 2.448 ( -14.633 -10.862 15.632) 24.010 4.179 ( -7.048 -8.052 -4.953) 11.792 4.739 ( -2.861 6.544 12.398) 14.308 5.334 ( 4.259 -3.078 -10.264) 11.530 6.063 ( -11.129 7.128 -4.828) 14.070 6.429 ( -8.146 3.743 5.852) 10.706 6.864 ( 0.004 2.636 -1.223) 2.905 7.625 ( 9.401 -16.555 -13.469) 23.321 8.371 ( 12.199 13.112 -4.652) 18.503 8.651 ( 6.893 5.101 11.585) 14.413 9.182 ( 4.930 -0.711 -4.427) 6.664 9.434 ( 12.035 14.472 -3.346) 19.117 9.649 ( 4.491 6.116 6.011) 9.680 9.962 ( 0.423 8.289 -3.598) 9.046 10.540 ( -3.816 -4.280 4.931) 7.563 10.716 ( -4.257 -0.984 8.203) 9.294 11.388 ( -8.055 -6.313 5.455) 11.597 11.796 ( 4.297 -3.611 13.096) 14.248 12.034 ( -1.595 0.687 -3.073) 3.529 12.691 ( 7.571 -9.191 -19.813) 23.116 12.971 ( -1.089 3.883 4.349) 5.931 13.124 ( 9.082 8.257 -9.019) 15.232 13.832 ( 5.147 1.783 3.798) 6.640 14.118 ( 1.513 3.427 1.146) 3.917 14.477 ( -8.859 -1.058 -4.026) 9.788 14.873 ( -1.672 -1.799 -4.171) 4.840 15.066 ( -1.325 -10.733 -1.488) 10.916 15.421 ( -10.035 -0.755 -1.330) 10.151 15.849 ( 7.887 1.855 4.674) 9.353 16.138 ( 2.645 -1.271 7.347) 7.911 16.795 ( -8.749 2.323 -10.255) 13.678 17.138 ( -2.831 0.274 0.150) 2.848 17.508 ( 2.186 -14.989 -1.108) 15.188 18.340 ( -3.699 1.623 -2.842) 4.939 19.171 ( 2.505 10.215 0.525) 10.531 19.764 ( -1.575 -9.198 10.967) 14.400 20.962 ( -5.640 8.867 7.425) 12.867 21.858 ( 8.494 1.623 -9.629) 12.943 ======================= Grid point 156 (81/172) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 22.743 1.478 7.741) 24.070 3.236 ( 24.054 -21.796 16.001) 36.190 4.331 ( -3.727 -9.838 -1.183) 10.587 4.663 ( 12.033 4.112 2.896) 13.042 5.287 ( -6.649 8.825 3.527) 11.599 6.274 ( -8.576 13.252 9.452) 18.398 6.687 ( 12.550 -3.693 -1.161) 13.133 7.014 ( -1.570 -7.592 -4.316) 8.873 7.224 ( -12.975 4.966 5.158) 14.819 8.419 ( -0.429 -0.341 1.166) 1.289 8.679 ( -0.188 -10.399 -6.553) 12.293 9.252 ( -6.117 -0.673 -13.681) 15.002 9.298 ( 5.309 -0.041 -0.822) 5.373 9.620 ( -2.243 -7.239 -1.161) 7.667 10.238 ( -5.897 -2.837 -3.873) 7.604 10.470 ( 4.128 -0.483 -9.706) 10.559 10.804 ( 20.911 -3.752 7.341) 22.477 11.142 ( 7.578 5.464 -6.488) 11.374 11.280 ( -4.256 3.958 -5.960) 8.324 11.969 ( -5.661 -2.603 -2.516) 6.719 12.531 ( -16.103 -1.001 -7.344) 17.727 12.874 ( -2.631 9.553 3.685) 10.571 13.287 ( -4.922 10.083 -0.640) 11.238 13.397 ( -8.652 -6.331 4.962) 11.814 14.106 ( -11.991 -6.104 -2.074) 13.614 14.597 ( 1.936 22.180 3.324) 22.512 14.932 ( 2.362 -8.562 7.967) 11.931 15.192 ( 10.418 1.956 5.363) 11.879 15.544 ( -1.235 0.274 -1.279) 1.799 15.773 ( -0.395 -9.191 -0.218) 9.202 16.256 ( 5.504 -5.209 3.046) 8.167 16.656 ( -5.623 9.060 -7.097) 12.809 16.824 ( -7.159 9.444 0.350) 11.856 17.637 ( 0.990 -7.485 8.038) 11.028 18.105 ( -1.274 8.642 2.166) 9.000 19.714 ( 9.007 -7.740 -0.246) 11.878 19.915 ( 13.199 -6.846 1.927) 14.993 21.192 ( 4.477 -8.452 -11.151) 14.690 21.618 ( -11.030 8.949 4.576) 14.923 ======================= Grid point 157 (82/172) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 11.839 3.776 9.725) 15.779 3.590 ( 25.042 -22.428 10.290) 35.157 4.204 ( -1.632 -2.389 0.547) 2.944 4.849 ( 6.255 1.980 -2.418) 6.992 5.419 ( 3.324 8.667 10.233) 13.816 6.372 ( -9.493 13.691 4.709) 17.313 6.781 ( 10.148 -4.880 -1.259) 11.330 6.859 ( 1.452 -11.336 -5.611) 12.732 7.108 ( -18.431 4.281 2.647) 19.106 8.373 ( -3.341 -5.652 -2.289) 6.953 8.568 ( 3.383 -1.933 -3.450) 5.204 8.938 ( -7.113 -1.021 -13.434) 15.235 9.374 ( 5.558 1.417 -7.767) 9.656 9.531 ( -1.297 -7.390 4.216) 8.606 10.022 ( -7.075 -4.646 -7.394) 11.238 10.447 ( 7.280 2.116 -4.814) 8.981 11.117 ( 18.429 -4.646 -0.259) 19.007 11.174 ( 9.266 -1.557 -7.806) 12.215 11.236 ( -3.591 4.502 4.731) 7.453 11.864 ( -6.157 -0.168 2.622) 6.695 12.160 ( -22.293 -5.665 -2.840) 23.176 12.920 ( -4.445 8.867 -0.880) 9.957 13.261 ( -4.357 14.904 -2.518) 15.730 13.508 ( 2.235 3.530 8.705) 9.655 13.890 ( -8.864 -3.980 -2.733) 10.094 14.791 ( -0.435 15.947 1.320) 16.008 14.943 ( -2.209 -5.010 1.275) 5.622 15.415 ( 11.023 -1.989 5.247) 12.369 15.500 ( -1.487 0.916 -1.881) 2.567 15.755 ( 1.453 -10.884 6.578) 12.800 16.303 ( 0.248 -4.898 3.643) 6.109 16.610 ( 0.159 8.269 -3.299) 8.904 16.769 ( -6.651 5.727 -2.595) 9.153 17.694 ( -0.470 -7.573 7.141) 10.420 18.233 ( -0.440 9.458 6.196) 11.316 19.754 ( 4.834 -8.792 3.852) 10.747 20.036 ( 16.726 -2.803 -9.534) 19.455 21.023 ( -0.608 -3.769 -7.052) 8.019 21.570 ( -9.496 3.172 0.312) 10.017 ======================= Grid point 158 (83/172) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -5.534 4.869 7.196) 10.301 3.802 ( 18.798 -28.648 7.426) 35.060 4.302 ( 7.382 6.654 2.123) 10.162 4.825 ( -0.566 3.640 -5.127) 6.313 5.704 ( 8.732 2.026 8.663) 12.466 6.363 ( -7.444 9.058 -0.397) 11.731 6.748 ( 6.591 -8.544 -7.852) 13.345 6.840 ( 2.157 -4.049 2.670) 5.308 6.940 ( -15.350 2.955 2.725) 15.868 8.250 ( 0.978 -6.344 -4.882) 8.064 8.555 ( 0.358 4.742 -6.359) 7.941 8.746 ( -3.214 4.132 -4.778) 7.087 9.176 ( -5.349 -4.108 -11.158) 13.038 9.583 ( 2.055 1.286 -1.788) 3.012 9.829 ( -3.018 -1.768 -6.699) 7.557 10.568 ( 11.917 3.028 2.720) 12.593 11.121 ( -6.152 0.991 2.520) 6.721 11.217 ( -0.673 -4.793 1.033) 4.949 11.298 ( 17.442 -6.360 -6.622) 19.711 11.856 ( -22.089 -5.006 7.282) 23.791 11.936 ( 1.205 1.844 6.295) 6.670 12.888 ( -4.108 5.709 -2.576) 7.490 13.301 ( -3.201 13.271 -2.062) 13.806 13.651 ( 2.787 5.031 0.394) 5.765 13.799 ( -0.317 4.910 0.217) 4.925 14.792 ( -1.960 -16.841 2.593) 17.151 14.932 ( -2.094 21.794 -7.144) 23.030 15.460 ( 0.403 0.498 -3.176) 3.240 15.568 ( 2.614 -0.469 3.757) 4.601 15.821 ( 2.037 -14.986 11.635) 19.082 16.338 ( 0.513 -1.574 4.658) 4.943 16.618 ( -2.164 1.529 -0.709) 2.743 16.728 ( 0.846 4.145 -0.642) 4.279 17.717 ( -2.350 -7.656 6.138) 10.090 18.373 ( -0.111 5.796 5.185) 7.777 19.837 ( 0.393 -0.749 5.624) 5.687 19.979 ( 12.501 -4.812 -17.309) 21.887 20.960 ( -0.504 2.909 -1.449) 3.289 21.448 ( -5.986 -1.038 -3.176) 6.856 ======================= Grid point 159 (84/172) ======================= q-point: (-0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -15.707 3.947 3.508) 16.570 3.889 ( 11.566 -28.219 6.831) 31.253 4.417 ( 1.078 3.692 -1.259) 4.047 4.807 ( 4.735 4.395 -4.199) 7.705 5.809 ( -3.210 -4.483 0.244) 5.519 6.362 ( -0.349 6.617 -1.256) 6.744 6.684 ( 5.853 -1.002 -4.047) 7.186 6.818 ( -11.388 -0.033 6.396) 13.061 6.919 ( 6.491 -3.583 -0.138) 7.416 8.179 ( 4.721 -5.149 -4.061) 8.081 8.499 ( 0.806 11.204 -10.080) 15.093 8.645 ( -3.756 3.344 -7.539) 9.062 9.032 ( -2.974 4.372 0.416) 5.304 9.498 ( -3.774 5.281 -10.650) 12.472 9.727 ( 1.639 1.869 -6.270) 6.745 10.834 ( 10.940 1.787 7.188) 13.212 11.112 ( -7.894 -2.223 9.295) 12.395 11.185 ( -3.205 -3.766 8.638) 9.953 11.419 ( 18.351 -3.256 -4.010) 19.064 11.686 ( -18.878 -1.317 7.791) 20.465 12.030 ( 0.275 -4.295 4.837) 6.474 12.830 ( -1.663 4.224 -5.455) 7.097 13.293 ( -1.334 6.319 -4.408) 7.819 13.664 ( 2.243 2.626 -4.899) 5.994 13.958 ( 7.314 15.315 2.558) 17.164 14.661 ( -1.594 -20.770 2.156) 20.942 14.946 ( -2.108 18.857 -7.937) 20.568 15.411 ( 0.115 1.679 -4.917) 5.197 15.598 ( -3.803 0.766 1.852) 4.299 15.883 ( 0.218 -18.410 10.923) 21.407 16.378 ( -1.322 -3.414 2.183) 4.262 16.655 ( 4.189 -0.865 6.304) 7.618 16.793 ( 2.317 3.472 2.069) 4.658 17.695 ( -4.168 -8.098 4.475) 10.148 18.456 ( 1.896 -0.604 2.005) 2.825 19.677 ( 1.813 -1.932 -20.398) 20.569 20.064 ( -2.410 7.039 12.035) 14.149 20.915 ( -3.110 4.004 -7.187) 8.796 21.385 ( 3.944 -0.860 -1.151) 4.197 ======================= Grid point 161 (85/172) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( -18.745 -0.914 -0.549) 18.776 3.873 ( -2.836 -21.435 7.310) 22.824 4.350 ( -3.868 -3.973 -2.912) 6.263 4.878 ( 9.575 1.846 -3.226) 10.271 5.589 ( -12.842 -5.999 -8.189) 16.369 6.415 ( 4.969 6.197 -2.250) 8.256 6.678 ( 1.569 -4.421 -6.518) 8.030 6.806 ( -9.921 6.262 9.123) 14.861 7.015 ( 13.677 -4.916 0.755) 14.553 8.175 ( 7.384 -1.970 -3.804) 8.536 8.378 ( -1.826 8.728 -10.697) 13.926 8.702 ( 5.852 11.347 4.650) 13.588 9.044 ( -3.621 11.239 -5.632) 13.083 9.335 ( -5.048 8.561 -7.397) 12.389 9.722 ( 6.249 5.709 -5.058) 9.860 10.935 ( -6.625 -5.642 7.816) 11.697 11.179 ( -9.489 0.047 10.254) 13.971 11.357 ( 7.098 -3.068 9.720) 12.420 11.525 ( -8.112 -2.015 6.616) 10.660 11.668 ( 13.377 1.220 4.565) 14.187 12.060 ( -0.537 -4.797 7.058) 8.551 12.754 ( 1.281 3.773 -8.270) 9.180 13.225 ( 2.367 0.674 -10.707) 10.986 13.656 ( 3.738 7.473 -4.520) 9.500 14.188 ( 5.024 8.462 0.539) 9.856 14.535 ( 0.495 -18.053 4.723) 18.667 14.936 ( -2.034 16.377 -7.347) 18.064 15.367 ( 1.095 2.240 -3.194) 4.052 15.524 ( -5.607 -3.974 -2.757) 7.405 15.881 ( -2.491 -15.636 9.114) 18.269 16.334 ( -5.209 -5.190 2.195) 7.673 16.822 ( 6.840 -2.887 5.442) 9.205 16.914 ( 4.927 2.875 6.133) 8.376 17.626 ( -5.334 -8.643 3.016) 10.595 18.462 ( 3.389 -7.180 -2.298) 8.265 19.413 ( -1.073 3.732 -15.861) 16.330 20.200 ( -15.272 9.116 9.896) 20.354 20.814 ( 1.728 5.611 -5.112) 7.785 21.459 ( 9.641 1.037 -2.853) 10.108 ======================= Grid point 162 (86/172) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -15.946 -8.787 -1.582) 18.275 3.641 ( -26.645 -13.981 3.535) 30.297 4.300 ( 5.643 -8.478 2.847) 10.575 4.885 ( -2.995 -4.277 -5.256) 7.409 5.294 ( -1.124 -1.730 -10.385) 10.588 6.479 ( -0.225 9.813 -2.554) 10.142 6.505 ( 0.574 -9.736 -9.427) 13.564 6.865 ( -5.890 4.635 6.703) 10.055 7.196 ( 14.926 -2.171 1.112) 15.124 8.190 ( 5.549 1.093 -6.571) 8.670 8.366 ( 1.724 10.672 -0.637) 10.829 8.959 ( -0.432 9.677 -8.061) 12.602 9.026 ( 10.419 15.375 10.630) 21.400 9.301 ( -3.525 12.372 -2.920) 13.191 9.815 ( 8.613 10.020 -3.787) 13.745 10.868 ( -11.713 -5.327 2.088) 13.035 11.068 ( -17.047 -5.829 6.851) 19.275 11.460 ( 7.078 -8.628 -0.487) 11.171 11.617 ( -4.136 -2.661 17.357) 18.040 11.975 ( 5.664 4.126 10.724) 12.810 12.246 ( 12.246 2.384 12.718) 17.815 12.693 ( 4.459 5.129 -9.884) 11.995 13.049 ( 2.600 -1.402 -16.193) 16.461 13.762 ( 8.289 10.671 -1.129) 13.560 14.094 ( -6.796 -14.088 -3.691) 16.071 14.623 ( 4.862 -1.120 5.603) 7.503 14.925 ( -1.361 14.843 -7.053) 16.490 15.313 ( -4.993 -12.222 -4.107) 13.826 15.430 ( 4.747 2.705 1.679) 5.716 15.856 ( -5.088 -9.891 5.961) 12.620 16.237 ( -8.317 -4.816 2.011) 9.819 16.933 ( 4.904 -1.420 1.955) 5.467 17.078 ( 5.414 -2.354 4.192) 7.241 17.539 ( -4.004 -8.999 3.063) 10.315 18.381 ( 2.562 -9.843 -3.905) 10.895 19.268 ( -1.594 9.716 -9.363) 13.587 20.081 ( -17.629 2.289 0.563) 17.786 20.927 ( 0.893 12.110 5.911) 13.505 21.531 ( 11.950 0.898 -7.213) 13.987 ======================= Grid point 163 (87/172) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -9.215 -17.578 3.248) 20.111 3.164 ( -33.458 -13.402 0.332) 36.044 4.328 ( -1.730 -8.845 -3.680) 9.735 4.714 ( -1.705 0.262 2.201) 2.796 5.236 ( 6.463 -0.185 -6.348) 9.061 6.305 ( -4.598 -4.535 -5.774) 8.663 6.490 ( 2.662 2.655 -4.852) 6.138 6.913 ( -5.342 7.578 3.394) 9.873 7.327 ( 11.933 -9.175 -3.025) 15.353 8.180 ( 4.006 9.170 -5.721) 11.527 8.522 ( 3.345 9.850 6.824) 12.441 9.006 ( 7.266 7.892 -1.907) 10.895 9.295 ( -0.035 12.803 -5.156) 13.802 9.457 ( 8.776 14.106 12.658) 20.886 9.942 ( 5.167 12.705 -4.039) 14.298 10.628 ( -8.771 -5.962 -6.089) 12.229 10.968 ( -12.519 -8.325 10.033) 18.075 11.432 ( 4.622 -8.903 -4.269) 10.902 11.814 ( -3.892 -3.397 19.914) 20.573 12.134 ( -6.608 3.243 9.396) 11.936 12.584 ( 1.517 -2.276 -15.497) 15.736 12.697 ( 19.483 5.571 11.972) 23.536 12.915 ( 6.128 9.031 -8.890) 14.076 13.824 ( -2.820 -9.694 -6.213) 11.854 13.978 ( 6.607 6.900 3.956) 10.340 14.667 ( -3.566 -2.471 0.252) 4.346 14.899 ( -0.393 5.862 -6.900) 9.063 15.107 ( -3.680 -12.351 -0.933) 12.922 15.617 ( 9.611 3.356 5.750) 11.692 15.742 ( -11.566 -6.377 1.328) 13.274 16.153 ( -4.411 -2.689 2.648) 5.805 16.940 ( -1.105 -1.035 -4.925) 5.153 17.130 ( 2.479 -3.703 1.525) 4.710 17.480 ( -1.169 -10.961 2.051) 11.212 18.333 ( 2.991 -6.300 1.806) 7.204 19.207 ( -2.416 12.832 -7.913) 15.268 19.898 ( -9.872 -4.290 1.212) 10.832 21.099 ( -4.929 12.022 7.766) 15.137 21.577 ( 13.274 1.330 -9.256) 16.237 ======================= Grid point 164 (88/172) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -4.599 -25.554 12.819) 28.956 2.696 ( -19.465 -12.174 -1.735) 23.024 4.085 ( -5.466 -5.671 -7.460) 10.849 4.903 ( 7.285 5.749 7.193) 11.742 5.205 ( 0.004 -1.542 -3.166) 3.522 6.170 ( -4.984 -1.003 -1.439) 5.283 6.474 ( 4.156 -0.959 -3.272) 5.376 6.929 ( -5.563 9.174 0.231) 10.731 7.295 ( 5.991 -12.699 -3.051) 14.369 8.270 ( 5.628 10.725 -2.324) 12.333 8.784 ( 6.368 8.348 10.548) 14.883 9.100 ( 2.273 3.429 -2.355) 4.741 9.351 ( 7.189 12.375 -4.238) 14.926 9.761 ( -0.348 6.553 6.372) 9.147 9.987 ( 0.108 11.076 -2.809) 11.427 10.501 ( 5.339 -2.365 -3.777) 6.954 10.886 ( -8.326 -5.795 4.268) 11.006 11.331 ( 2.243 -7.187 -7.319) 10.500 12.041 ( -1.189 -3.640 18.220) 18.618 12.078 ( -12.562 0.766 -5.448) 13.714 12.359 ( -0.874 -3.177 -5.897) 6.755 12.912 ( 8.056 3.581 -8.491) 12.240 13.137 ( 4.105 10.114 10.773) 15.336 13.780 ( 11.054 -1.078 3.190) 11.555 14.141 ( 2.178 7.965 0.279) 8.262 14.493 ( -10.056 -7.141 -6.692) 14.032 14.837 ( -0.216 -4.373 1.363) 4.586 15.016 ( -2.396 -6.315 -0.485) 6.772 15.539 ( -11.264 -5.246 1.236) 12.487 15.842 ( 6.015 4.396 3.981) 8.447 16.166 ( 2.424 0.098 1.716) 2.971 16.785 ( -6.086 -0.396 -6.358) 8.810 17.129 ( -0.286 0.628 -4.060) 4.118 17.415 ( -0.235 -13.640 4.977) 14.521 18.363 ( -1.593 0.051 0.397) 1.643 19.193 ( 2.537 10.757 -3.626) 11.632 19.817 ( -1.148 -10.507 4.141) 11.352 21.197 ( -4.446 6.773 5.356) 9.712 21.622 ( 9.292 4.225 -7.595) 12.722 ======================= Grid point 168 (89/172) ======================= q-point: ( 0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 32.457 8.300 9.045) 34.701 2.957 ( 23.901 -34.771 16.443) 45.284 4.332 ( -3.462 -3.687 1.483) 5.270 4.414 ( 23.108 -2.372 -8.890) 24.873 5.516 ( -8.093 8.490 5.008) 12.754 6.439 ( 8.529 2.016 -4.025) 9.644 6.614 ( -1.426 8.120 12.029) 14.583 6.837 ( 0.061 -14.934 -7.518) 16.720 7.595 ( -16.866 12.507 6.712) 22.044 8.430 ( -0.616 -13.467 -16.895) 21.614 8.493 ( -0.417 2.980 5.266) 6.066 9.165 ( -7.244 -0.655 -8.338) 11.065 9.255 ( -0.620 7.370 -3.492) 8.179 9.642 ( -7.174 -3.597 0.954) 8.081 10.198 ( -5.703 -2.307 -9.501) 11.319 10.284 ( 5.837 -2.165 -6.309) 8.864 10.601 ( 17.166 -5.352 7.628) 19.532 10.886 ( 11.000 0.166 -6.796) 12.931 11.396 ( -4.392 4.910 1.460) 6.748 12.097 ( -11.965 -2.507 4.239) 12.938 12.661 ( -13.469 3.400 -1.228) 13.946 12.983 ( -1.598 15.567 -6.021) 16.767 13.447 ( -11.054 -0.278 -1.404) 11.147 13.557 ( -5.292 0.294 11.485) 12.649 14.120 ( -6.894 -8.555 -4.931) 12.043 14.763 ( 4.145 19.483 2.114) 20.030 14.964 ( 1.837 -6.937 9.324) 11.765 15.145 ( 5.063 0.793 -0.436) 5.144 15.537 ( -1.236 0.749 -1.370) 1.991 15.726 ( 1.222 -9.226 3.702) 10.016 16.204 ( 6.734 -6.293 7.094) 11.631 16.649 ( -2.501 7.612 -10.219) 12.986 16.967 ( -8.078 6.145 -2.377) 10.424 17.729 ( -2.428 -7.181 11.318) 13.622 18.230 ( 0.345 9.830 5.035) 11.050 19.491 ( 13.579 -3.721 -4.852) 14.892 19.715 ( 9.960 -9.633 -0.929) 13.887 20.931 ( 6.256 -6.198 -7.263) 11.415 21.857 ( -11.427 7.067 0.331) 13.439 ======================= Grid point 169 (90/172) ======================= q-point: ( 0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 20.242 9.867 14.831) 26.964 3.222 ( 25.384 -30.202 10.866) 40.921 4.255 ( -3.526 1.622 1.005) 4.009 4.595 ( 21.199 -2.468 -9.065) 23.187 5.572 ( -0.768 4.286 4.941) 6.586 6.427 ( 0.742 1.788 -8.335) 8.557 6.649 ( 2.909 -11.610 -5.820) 13.309 6.798 ( -2.089 6.235 8.130) 10.456 7.481 ( -23.117 5.463 5.246) 24.326 8.140 ( 6.798 -8.311 -15.768) 19.077 8.591 ( -1.668 5.726 2.206) 6.359 8.933 ( -10.344 3.648 -4.741) 11.949 9.236 ( -0.048 4.509 -8.850) 9.932 9.571 ( -3.505 -3.111 2.590) 5.355 9.961 ( -6.365 -1.369 -9.125) 11.210 10.310 ( 8.666 -0.544 -1.227) 8.770 10.804 ( 14.797 -5.269 -0.668) 15.721 11.020 ( 11.036 -5.427 5.728) 13.567 11.396 ( -5.882 1.599 3.372) 6.966 12.030 ( -8.232 0.369 6.093) 10.248 12.419 ( -21.599 -1.742 2.417) 21.803 12.989 ( -2.451 10.965 -6.238) 12.851 13.395 ( -2.953 12.929 -0.179) 13.263 13.648 ( -3.176 2.301 5.001) 6.355 13.905 ( -7.504 -3.191 -4.352) 9.243 14.870 ( -4.045 -9.742 1.006) 10.596 14.951 ( 0.770 16.797 -6.616) 18.069 15.302 ( 11.620 -4.079 3.063) 12.690 15.522 ( -1.274 2.283 2.188) 3.409 15.798 ( 1.536 -10.300 11.470) 15.492 16.310 ( 1.964 -6.313 5.125) 8.365 16.597 ( 3.038 8.179 -4.512) 9.822 16.818 ( -7.164 0.000 -5.535) 9.053 17.805 ( -4.314 -6.695 11.432) 13.933 18.373 ( 0.056 6.762 3.833) 7.773 19.577 ( 16.769 -2.800 -9.166) 19.315 19.745 ( 7.137 -3.600 -0.018) 7.993 20.898 ( 4.810 -1.778 -2.342) 5.637 21.706 ( -12.483 2.841 -4.820) 13.679 ======================= Grid point 170 (91/172) ======================= q-point: ( 0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 14.693 -24.937 8.727) 30.231 3.541 ( 6.750 2.423 10.051) 12.347 4.333 ( 4.114 8.410 3.461) 9.981 4.627 ( 13.063 -2.173 -13.000) 18.558 5.695 ( 7.547 -2.107 3.209) 8.468 6.313 ( 0.840 -0.212 -7.554) 7.604 6.544 ( 3.799 -8.553 -4.121) 10.226 6.878 ( -2.532 4.349 1.295) 5.197 7.306 ( -21.806 3.470 7.358) 23.274 8.005 ( 8.403 -3.506 -11.543) 14.701 8.569 ( -5.176 11.105 -5.209) 13.314 8.819 ( -9.348 6.754 -4.425) 12.352 9.112 ( -2.600 0.144 -2.653) 3.717 9.546 ( -1.196 3.516 -4.255) 5.648 9.775 ( -4.752 2.480 -7.260) 9.024 10.479 ( 13.663 1.031 4.603) 14.454 10.950 ( 14.688 -5.530 1.019) 15.727 11.185 ( 4.880 -6.028 9.903) 12.579 11.360 ( -8.346 -4.627 6.430) 11.507 12.046 ( -5.390 2.042 3.827) 6.919 12.224 ( -18.910 -1.348 8.649) 20.837 12.902 ( -3.496 4.058 -7.114) 8.905 13.458 ( -7.854 11.784 1.025) 14.198 13.632 ( -0.213 2.001 -5.343) 5.710 13.822 ( 1.445 9.220 -2.670) 9.707 14.713 ( -2.781 -17.426 0.272) 17.649 14.978 ( -0.447 18.069 -8.819) 20.111 15.366 ( 4.328 -3.206 -3.077) 6.203 15.628 ( 1.608 2.020 7.045) 7.503 15.888 ( -1.348 -14.191 11.712) 18.449 16.339 ( 3.242 -4.478 1.324) 5.684 16.642 ( -1.385 0.496 -0.167) 1.480 16.723 ( 2.303 1.838 0.775) 3.046 17.839 ( -6.821 -7.377 10.015) 14.186 18.417 ( 1.071 -1.097 -1.409) 2.082 19.513 ( 10.725 -1.873 -18.612) 21.563 19.957 ( 9.069 7.146 10.851) 15.845 20.941 ( 2.207 2.737 -0.507) 3.552 21.470 ( -10.023 -0.197 -7.643) 12.606 ======================= Grid point 171 (92/172) ======================= q-point: ( 0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -1.476 -15.819 -1.460) 15.955 3.728 ( 5.376 -9.113 12.359) 16.269 4.476 ( 0.358 5.776 0.672) 5.825 4.582 ( 11.576 0.349 -11.600) 16.391 5.772 ( 5.287 -6.501 -1.157) 8.459 6.160 ( 0.607 -5.330 -11.898) 13.052 6.604 ( 9.921 -0.587 4.669) 10.980 6.835 ( -1.435 -1.393 -4.536) 4.957 7.212 ( -19.140 7.025 9.933) 22.679 7.952 ( 9.266 -1.329 -8.693) 12.774 8.508 ( -7.489 14.844 -7.715) 18.329 8.686 ( -4.392 6.897 -0.729) 8.209 9.118 ( -1.814 6.447 -0.338) 6.706 9.459 ( -4.118 7.733 -7.173) 11.323 9.666 ( -2.079 6.566 -6.485) 9.460 10.767 ( 16.673 1.710 5.088) 17.516 11.114 ( 11.908 -6.414 3.711) 14.025 11.314 ( -5.427 -10.790 12.030) 17.047 11.422 ( 2.632 0.332 16.626) 16.836 11.931 ( -14.130 1.391 -3.411) 14.603 12.193 ( -9.416 -1.918 11.449) 14.948 12.772 ( -2.127 2.148 -8.647) 9.160 13.352 ( -11.806 1.916 -3.947) 12.595 13.576 ( 2.216 6.187 -6.713) 9.395 13.980 ( 9.385 15.899 -0.927) 18.486 14.567 ( -2.218 -19.303 2.438) 19.582 14.964 ( -0.441 14.383 -8.225) 16.574 15.333 ( 2.002 -1.149 -3.786) 4.434 15.694 ( -5.807 1.675 0.675) 6.081 15.893 ( 0.528 -18.102 8.722) 20.101 16.372 ( 2.657 -5.992 3.136) 7.267 16.668 ( 3.547 -3.229 4.514) 6.587 16.822 ( 2.732 3.310 3.613) 5.610 17.812 ( -8.935 -8.244 8.183) 14.655 18.363 ( 4.076 -7.624 -5.458) 10.224 19.361 ( 5.176 3.656 -15.841) 17.061 20.325 ( 8.072 13.080 13.491) 20.451 20.876 ( -8.496 3.138 -8.493) 12.416 21.316 ( 0.945 -0.038 -3.463) 3.590 ======================= Grid point 172 (93/172) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -8.975 -14.645 -8.710) 19.259 3.915 ( 2.085 -10.411 15.695) 18.949 4.404 ( -7.292 -3.491 -4.715) 9.359 4.612 ( 14.054 2.840 -8.796) 16.821 5.593 ( -14.719 -7.906 -7.673) 18.386 6.061 ( 17.981 -7.933 -10.984) 22.515 6.659 ( -3.363 -0.423 -7.560) 8.285 6.866 ( 10.672 -3.183 6.375) 12.832 7.197 ( -16.360 10.398 10.089) 21.853 7.974 ( 10.463 1.629 -5.753) 12.051 8.429 ( -7.304 14.857 -1.800) 16.653 8.828 ( 4.842 13.999 6.283) 16.090 9.056 ( -4.755 8.625 -9.146) 13.440 9.414 ( -4.588 12.030 -1.844) 13.006 9.643 ( 3.152 9.246 -4.762) 10.867 10.999 ( 8.161 -1.320 2.288) 8.578 11.237 ( 8.069 -7.647 1.073) 11.168 11.356 ( -4.313 -12.926 11.342) 17.729 11.687 ( -3.182 -3.601 2.423) 5.382 11.800 ( -1.952 9.614 18.355) 20.812 12.252 ( -4.660 -0.106 10.963) 11.913 12.650 ( -0.690 3.488 -7.789) 8.563 13.120 ( -9.396 -0.547 -9.129) 13.113 13.593 ( 4.343 9.115 -4.771) 11.168 14.150 ( 4.310 1.321 -1.839) 4.869 14.484 ( 2.351 -10.227 4.830) 11.552 14.944 ( -0.079 11.790 -7.605) 14.030 15.317 ( 2.549 -0.825 -0.689) 2.766 15.530 ( -9.053 -6.329 -4.735) 12.018 15.917 ( 0.394 -10.906 6.956) 12.941 16.389 ( -2.467 -7.103 4.849) 8.947 16.770 ( 7.146 -5.333 3.009) 9.410 16.937 ( 3.732 1.481 3.990) 5.661 17.734 ( -10.235 -8.586 6.730) 14.959 18.271 ( 5.846 -10.214 -6.114) 13.262 19.261 ( 2.178 9.006 -10.864) 14.278 20.561 ( -19.288 3.874 -4.762) 20.242 20.741 ( 13.657 12.285 4.946) 19.024 21.327 ( 3.857 1.482 -2.844) 5.016 ======================= Grid point 173 (94/172) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -7.914 -18.129 -9.131) 21.787 3.919 ( -21.903 -13.018 3.121) 25.670 4.247 ( 3.715 -5.380 0.689) 6.574 4.697 ( 12.975 0.787 -7.937) 15.231 5.218 ( -13.569 -4.977 -6.563) 15.873 6.071 ( 16.786 -12.096 -9.805) 22.895 6.505 ( -0.150 0.633 -8.736) 8.760 7.036 ( 4.854 -2.582 5.587) 7.839 7.219 ( -11.907 8.677 6.551) 16.124 8.066 ( 7.136 8.377 -2.525) 11.290 8.503 ( -3.405 16.215 4.842) 17.262 8.922 ( -0.053 6.688 -6.486) 9.317 9.177 ( 8.007 18.164 8.013) 21.406 9.417 ( -4.380 12.796 -1.461) 13.604 9.747 ( 7.581 11.718 -2.021) 14.102 10.914 ( -9.492 -5.955 -10.139) 15.112 11.222 ( 4.549 -13.276 0.905) 14.063 11.300 ( -5.612 -9.407 3.722) 11.569 11.822 ( 4.342 -0.167 13.163) 13.862 12.150 ( 5.776 7.915 13.286) 16.509 12.432 ( 0.254 3.851 15.761) 16.227 12.588 ( -0.978 6.148 -6.066) 8.692 12.878 ( -6.866 -0.177 -6.558) 9.496 13.673 ( 8.210 9.681 -5.677) 13.906 14.045 ( -5.386 -14.909 0.843) 15.874 14.598 ( 7.426 0.433 1.634) 7.616 14.908 ( -0.125 6.545 -6.671) 9.346 15.274 ( -8.411 -8.741 -2.720) 12.432 15.411 ( 5.846 2.166 2.655) 6.776 15.919 ( -2.632 -8.042 4.527) 9.597 16.334 ( -7.613 -5.561 2.893) 9.862 16.838 ( 7.542 -6.682 -0.858) 10.113 17.032 ( 4.245 -1.862 1.601) 4.904 17.631 ( -10.179 -8.634 5.979) 14.625 18.216 ( 6.272 -8.865 -1.226) 10.928 19.223 ( 1.050 11.958 -8.546) 14.735 20.234 ( -14.726 -0.180 -9.251) 17.392 21.095 ( 10.877 13.419 6.441) 18.435 21.320 ( 0.603 1.614 -3.703) 4.084 ======================= Grid point 174 (95/172) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -1.352 -23.427 -3.075) 23.666 3.386 ( -29.458 -20.870 -8.835) 37.167 4.232 ( -0.253 -5.278 -8.086) 9.660 4.687 ( 7.697 1.303 -6.742) 10.315 5.148 ( 0.190 0.741 8.134) 8.170 6.041 ( 12.493 -12.907 -5.706) 18.848 6.420 ( 2.323 2.360 -7.144) 7.874 7.124 ( 0.323 -0.665 4.391) 4.452 7.174 ( -8.022 1.664 -0.105) 8.194 8.200 ( 1.772 15.256 1.150) 15.402 8.692 ( -0.033 13.512 8.339) 15.877 8.970 ( 6.118 6.468 0.552) 8.920 9.321 ( -2.296 14.634 -7.152) 16.449 9.641 ( 7.233 13.772 11.925) 19.601 9.915 ( 7.602 13.624 -1.763) 15.701 10.547 ( -9.061 -8.430 -12.853) 17.843 11.137 ( -10.614 -12.056 2.564) 16.266 11.209 ( 6.651 -8.346 -6.142) 12.313 12.046 ( 1.702 -2.128 12.119) 12.422 12.393 ( -5.960 0.586 -8.842) 10.679 12.430 ( 1.056 6.239 2.975) 6.993 12.694 ( 0.428 4.773 12.608) 13.488 12.932 ( 5.298 8.830 10.885) 14.984 13.679 ( 1.773 -1.122 -8.152) 8.418 14.007 ( 4.256 -1.157 6.493) 7.849 14.629 ( 1.103 -5.247 -4.011) 6.695 14.854 ( -0.689 -1.761 -1.294) 2.291 15.095 ( -5.817 -3.627 -1.792) 7.085 15.607 ( 8.651 2.805 6.153) 10.980 15.857 ( -7.209 -6.364 3.472) 10.223 16.220 ( -7.391 -1.613 -0.607) 7.589 16.817 ( 4.336 -7.027 -5.885) 10.140 17.068 ( 3.665 -1.649 -1.278) 4.217 17.530 ( -9.028 -9.981 6.780) 15.069 18.280 ( 6.798 -6.134 5.476) 10.668 19.194 ( -0.232 13.400 -9.463) 16.406 19.947 ( -9.045 -4.221 -6.692) 12.017 21.237 ( 7.713 -3.576 -10.037) 13.153 21.412 ( 0.276 15.818 9.293) 18.348 ======================= Grid point 175 (96/172) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 8.449 -28.702 6.611) 30.641 2.698 ( -22.497 -25.462 -14.568) 36.968 4.029 ( -2.605 -2.668 -7.800) 8.645 4.731 ( 15.780 -0.712 -11.632) 19.617 5.312 ( -4.248 3.381 13.145) 14.222 6.059 ( 9.776 -9.345 -0.423) 13.531 6.380 ( 1.586 1.934 -4.135) 4.833 7.109 ( -1.875 -1.194 2.654) 3.462 7.171 ( -2.312 1.929 3.342) 4.499 8.343 ( -1.368 14.674 1.871) 14.856 8.918 ( 3.908 7.211 8.254) 11.636 9.099 ( -0.229 7.104 0.189) 7.110 9.312 ( 3.129 10.757 -3.746) 11.812 9.930 ( -1.062 8.966 7.223) 11.563 10.033 ( -1.308 11.198 -3.062) 11.683 10.294 ( 7.454 -4.463 -9.021) 12.524 10.918 ( -6.660 -8.702 -5.914) 12.452 11.123 ( 3.749 -6.058 -7.603) 10.419 11.966 ( -7.488 -1.615 -17.268) 18.891 12.280 ( -5.026 -6.806 13.688) 16.092 12.581 ( -2.926 10.022 7.085) 12.617 12.798 ( -4.944 0.931 3.456) 6.104 13.303 ( 7.863 8.198 12.854) 17.153 13.649 ( 11.265 0.910 -0.753) 11.327 14.198 ( 4.574 8.193 4.699) 10.494 14.440 ( -8.156 -11.380 -5.891) 15.189 14.848 ( 0.284 -4.887 3.764) 6.175 15.013 ( -2.817 -2.137 0.081) 3.537 15.652 ( -9.241 -8.585 3.568) 13.109 15.883 ( 2.049 4.094 3.969) 6.060 16.141 ( 0.089 2.779 -3.638) 4.579 16.715 ( 2.157 -4.281 -5.044) 6.958 17.056 ( 1.625 2.269 -6.169) 6.771 17.477 ( -6.174 -11.773 11.278) 17.433 18.389 ( 0.759 -1.824 3.354) 3.892 19.160 ( 2.622 11.085 -7.487) 13.631 19.764 ( -0.880 -9.697 -2.990) 10.186 21.153 ( 6.531 -5.578 -8.574) 12.136 21.638 ( -0.542 14.602 6.389) 15.948 ======================= Grid point 178 (97/172) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 36.922 14.681 19.444) 44.237 2.611 ( 23.863 -39.800 16.088) 49.116 3.786 ( 39.137 -9.342 -15.971) 43.290 4.388 ( -3.137 -1.745 1.921) 4.072 5.667 ( -4.993 1.271 -2.965) 5.945 6.331 ( 6.705 9.192 0.062) 11.378 6.625 ( -2.153 -14.896 -7.469) 16.802 6.927 ( -7.400 8.136 14.186) 17.950 7.852 ( 5.991 10.402 -12.119) 17.058 8.153 ( -19.584 -11.657 -6.160) 23.609 8.599 ( 0.576 4.180 5.781) 7.157 9.184 ( -9.834 2.040 -5.080) 11.256 9.327 ( -7.065 10.122 -2.833) 12.664 9.770 ( -10.627 4.941 -0.147) 11.720 10.084 ( 4.397 -2.404 -6.970) 8.584 10.118 ( -0.573 -5.494 -4.006) 6.823 10.554 ( 4.798 -4.954 8.719) 11.117 10.714 ( 11.056 -0.536 3.133) 11.504 11.462 ( 0.934 -0.191 2.601) 2.770 12.316 ( -13.483 -2.885 5.598) 14.881 12.882 ( -9.854 9.651 3.272) 14.176 12.983 ( -1.871 13.656 -10.669) 17.430 13.481 ( -3.099 -4.691 -3.015) 6.380 13.808 ( -9.825 -1.555 5.366) 11.303 14.056 ( -0.886 -3.906 -1.151) 4.167 14.804 ( 9.127 5.884 2.936) 11.249 15.037 ( -4.067 -2.189 -10.773) 11.721 15.073 ( 0.808 4.417 5.275) 6.927 15.574 ( -2.242 1.766 2.675) 3.912 15.713 ( 4.542 -7.224 8.327) 11.923 16.222 ( 5.098 -6.288 12.645) 15.014 16.525 ( 2.288 5.368 -13.489) 14.697 17.035 ( -9.413 0.568 -7.315) 11.935 17.920 ( -4.402 -3.030 13.828) 14.825 18.379 ( -0.850 7.029 5.914) 9.225 19.187 ( 13.234 -4.857 -8.612) 16.519 19.497 ( 11.975 -5.388 -1.821) 13.256 20.750 ( 6.343 -2.600 -2.002) 7.142 22.015 ( -11.209 4.037 -4.013) 12.571 ======================= Grid point 179 (98/172) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 24.043 -34.740 12.675) 44.108 3.176 ( 24.789 17.407 21.449) 37.115 3.965 ( 34.589 -9.220 -16.136) 39.265 4.365 ( -2.301 0.389 1.691) 2.882 5.616 ( -0.093 0.905 -1.517) 1.769 6.302 ( -0.610 -2.300 -9.228) 9.530 6.491 ( 1.453 -5.464 -1.934) 5.976 7.018 ( -8.493 8.407 3.947) 12.585 7.710 ( 6.670 -11.984 -14.056) 19.638 7.914 ( -17.649 11.177 3.521) 21.185 8.691 ( -2.980 7.614 1.299) 8.279 9.064 ( -7.196 5.630 0.222) 9.139 9.188 ( -8.007 6.914 -10.509) 14.911 9.675 ( -9.779 3.396 0.791) 10.382 9.926 ( -6.371 2.544 -6.596) 9.516 10.180 ( 10.500 -4.224 2.480) 11.586 10.676 ( 6.950 -5.353 6.616) 10.988 10.966 ( 10.967 -6.310 11.338) 16.990 11.505 ( -2.403 -3.007 5.914) 7.056 12.240 ( -10.197 0.439 6.031) 11.855 12.708 ( -17.866 0.257 1.153) 17.905 12.970 ( -1.327 9.272 -8.572) 12.697 13.484 ( 3.701 10.911 -0.292) 11.525 13.692 ( -4.740 -1.124 -5.955) 7.693 13.981 ( -9.816 0.863 0.816) 9.888 14.793 ( -2.611 -12.821 -5.104) 14.044 14.958 ( 2.684 14.679 -5.913) 16.051 15.180 ( 7.600 -3.403 1.096) 8.399 15.631 ( -2.217 2.710 6.628) 7.496 15.870 ( 3.595 -8.008 12.006) 14.873 16.288 ( 0.137 -9.460 -0.501) 9.474 16.542 ( 7.344 8.553 0.038) 11.273 16.810 ( -6.752 -2.987 -5.285) 9.080 18.016 ( -6.519 -5.345 12.516) 15.090 18.414 ( -1.296 -1.950 -2.243) 3.243 19.187 ( 13.597 -0.074 -12.863) 18.717 19.670 ( 12.982 3.066 5.485) 14.423 20.830 ( 5.857 1.512 2.646) 6.602 21.783 ( -13.017 1.299 -8.705) 15.713 ======================= Grid point 180 (99/172) ======================= q-point: ( 0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 20.405 -29.875 10.548) 37.685 3.692 ( 6.391 4.974 7.796) 11.241 4.058 ( 25.841 -6.775 -15.488) 30.879 4.451 ( 4.211 8.954 5.709) 11.423 5.582 ( 2.866 -5.065 -4.593) 7.414 6.245 ( 3.035 2.417 -0.814) 3.964 6.394 ( 0.539 -7.241 -4.212) 8.394 6.958 ( -7.791 3.962 -3.763) 9.516 7.582 ( 1.136 -7.830 -0.400) 7.922 7.830 ( -9.927 12.379 -3.589) 16.269 8.701 ( -7.501 13.605 0.395) 15.541 8.909 ( -11.956 6.373 -9.106) 16.324 9.119 ( 1.688 4.751 -1.290) 5.204 9.593 ( -8.207 5.192 -0.595) 9.730 9.788 ( -6.840 6.401 -5.524) 10.876 10.368 ( 13.364 -0.648 4.553) 14.133 10.854 ( 8.060 -5.583 9.792) 13.858 11.201 ( 9.194 -8.512 11.430) 16.960 11.537 ( -5.670 -6.593 11.554) 14.461 12.212 ( -9.395 2.975 3.704) 10.528 12.517 ( -14.243 -1.409 1.816) 14.427 12.846 ( -3.735 3.090 -9.148) 10.353 13.523 ( -0.892 -2.325 -9.193) 9.524 13.659 ( 1.515 18.344 0.268) 18.408 13.853 ( -8.548 5.560 -2.688) 10.545 14.625 ( -1.857 -15.354 0.115) 15.466 14.966 ( 0.262 12.597 -8.073) 14.964 15.237 ( 6.069 -4.888 -1.300) 7.901 15.729 ( 0.471 1.902 5.660) 5.990 15.957 ( -3.778 -13.118 6.439) 15.094 16.221 ( 7.266 -6.079 -2.309) 9.751 16.659 ( -0.268 -0.044 1.201) 1.232 16.759 ( 1.174 1.856 6.191) 6.569 18.038 ( -6.872 -7.477 9.012) 13.578 18.285 ( 0.373 -9.672 -7.183) 12.053 19.169 ( 9.258 5.980 -12.293) 16.510 19.991 ( 15.346 7.425 6.831) 18.366 20.977 ( 2.357 5.873 5.541) 8.411 21.478 ( -12.663 0.095 -10.505) 16.453 ======================= Grid point 181 (100/172) ======================= q-point: ( 0.50 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 7.736 -26.807 1.351) 27.934 3.804 ( 11.498 -2.150 -0.386) 11.704 4.056 ( 13.887 -6.813 -11.984) 19.567 4.661 ( -1.731 10.157 5.624) 11.738 5.532 ( 10.907 -8.124 -5.847) 14.803 6.089 ( -13.004 -5.430 -6.868) 15.677 6.540 ( 13.872 2.575 6.815) 15.669 6.790 ( -6.907 -1.814 -6.829) 9.881 7.578 ( -4.363 -3.030 6.893) 8.702 7.764 ( -2.097 12.946 -6.308) 14.553 8.690 ( -11.782 16.132 -2.097) 20.086 8.790 ( -2.432 10.403 1.052) 10.736 9.123 ( -0.054 5.815 -6.174) 8.481 9.540 ( -6.750 7.654 0.648) 10.226 9.688 ( -5.438 10.408 -5.994) 13.184 10.616 ( 15.495 0.539 3.371) 15.867 11.050 ( 7.049 -6.574 8.398) 12.784 11.388 ( 6.136 -11.859 9.489) 16.381 11.647 ( -2.356 -5.941 17.904) 19.010 12.104 ( -14.042 4.336 0.708) 14.714 12.402 ( -6.879 -0.757 0.558) 6.943 12.695 ( -2.749 3.453 -7.155) 8.407 13.338 ( -2.667 -2.166 -11.305) 11.816 13.671 ( -12.886 8.915 2.605) 15.884 13.932 ( 10.119 14.687 -3.327) 18.143 14.512 ( -2.427 -16.043 3.720) 16.646 14.938 ( 0.360 9.450 -7.252) 11.917 15.242 ( 3.821 -3.946 -1.109) 5.604 15.757 ( -8.015 -2.639 -5.401) 10.019 15.849 ( 3.881 -11.572 5.301) 13.307 16.317 ( 7.926 -5.595 4.418) 10.660 16.662 ( -0.097 -5.410 3.004) 6.188 16.896 ( 0.658 2.632 6.663) 7.195 18.000 ( -6.232 -8.994 5.945) 12.452 18.121 ( 1.769 -10.615 -5.986) 12.315 19.161 ( 5.338 9.845 -9.649) 14.782 20.313 ( 17.887 6.075 -0.221) 18.891 21.037 ( -16.137 8.564 0.672) 18.281 21.265 ( 1.149 1.566 -1.918) 2.730 ======================= Grid point 182 (101/172) ======================= q-point: (-0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( -3.377 -24.260 -9.959) 26.441 3.924 ( 27.552 -8.699 -22.104) 36.379 4.075 ( 1.420 -4.814 13.983) 14.857 4.659 ( -10.668 3.135 -0.573) 11.133 5.552 ( 8.195 -9.494 -2.965) 12.887 5.756 ( -10.964 -5.169 -8.202) 14.636 6.551 ( -4.859 -3.517 -9.806) 11.495 6.835 ( 9.642 0.415 7.041) 11.947 7.602 ( -12.069 3.411 10.057) 16.076 7.826 ( 7.754 12.977 -2.347) 15.299 8.692 ( -8.958 18.987 3.131) 21.226 8.896 ( 1.608 10.204 -2.687) 10.674 9.073 ( -0.015 9.970 -1.331) 10.058 9.543 ( -5.058 10.653 -1.427) 11.879 9.652 ( -1.243 12.091 -2.502) 12.410 10.832 ( 13.830 -1.636 -0.247) 13.929 11.090 ( 2.159 -11.362 -4.617) 12.453 11.457 ( -1.489 -13.104 9.405) 16.198 11.776 ( -2.992 -3.944 9.063) 10.327 12.145 ( -3.655 6.151 10.825) 12.976 12.343 ( 3.309 3.251 1.978) 5.043 12.657 ( -3.548 9.085 -0.788) 9.785 13.123 ( -5.840 -4.183 -5.773) 9.216 13.630 ( -7.653 9.559 -0.091) 12.245 14.074 ( 4.848 1.895 -1.285) 5.362 14.453 ( 0.942 -8.496 3.091) 9.090 14.904 ( 0.335 5.583 -5.864) 8.104 15.272 ( 4.599 -3.126 2.255) 6.001 15.510 ( -8.144 -7.941 -6.061) 12.889 15.911 ( 2.829 -4.339 3.144) 6.059 16.413 ( 3.314 -6.377 4.255) 8.351 16.658 ( 3.494 -8.425 0.413) 9.130 16.989 ( -0.947 0.595 4.587) 4.721 17.927 ( -9.523 -9.927 7.327) 15.586 18.026 ( 5.849 -8.291 -3.436) 10.712 19.166 ( 3.182 11.965 -8.440) 14.984 20.422 ( 7.426 1.198 -14.497) 16.333 20.899 ( -5.611 5.509 0.683) 7.893 21.373 ( -1.738 8.773 7.207) 11.486 ======================= Grid point 183 (102/172) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -3.551 -25.831 -11.141) 28.355 3.809 ( 19.715 -14.400 -23.375) 33.800 4.092 ( -11.837 -12.298 -4.194) 17.577 4.580 ( -0.143 1.502 2.129) 2.610 5.392 ( -16.972 -2.556 5.947) 18.165 5.688 ( 14.017 -7.783 -4.342) 16.611 6.351 ( 0.202 -3.277 -8.865) 9.453 6.989 ( 6.146 -4.149 2.555) 7.843 7.584 ( -17.469 8.969 6.218) 20.598 8.065 ( 9.214 15.096 4.295) 18.200 8.801 ( -4.811 18.765 4.183) 19.819 8.875 ( -1.375 6.648 -2.262) 7.156 9.294 ( 6.865 16.372 3.491) 18.093 9.528 ( -1.585 12.272 -2.328) 12.591 9.760 ( 3.049 11.685 2.073) 12.253 10.759 ( -4.957 -10.193 -13.560) 17.673 10.993 ( 9.843 -7.669 -4.012) 13.107 11.387 ( -8.209 -14.218 2.431) 16.597 11.927 ( 5.612 0.729 10.994) 12.365 12.185 ( 6.094 3.396 -4.628) 8.372 12.611 ( -8.258 5.616 -4.333) 10.886 12.688 ( 4.882 11.232 18.414) 22.115 13.053 ( -5.886 -0.983 11.492) 12.949 13.601 ( -1.668 8.329 -5.086) 9.900 14.042 ( -4.321 -10.001 3.686) 11.501 14.491 ( 7.020 -1.794 -2.268) 7.592 14.863 ( -0.094 0.184 -2.622) 2.630 15.286 ( -7.627 -4.214 -4.549) 9.830 15.394 ( 7.593 -0.889 6.095) 9.777 15.936 ( -0.009 -3.185 1.698) 3.609 16.417 ( -3.217 -5.427 1.917) 6.593 16.638 ( 6.140 -9.673 -2.650) 11.760 17.012 ( -0.507 -1.268 0.370) 1.415 17.830 ( -13.069 -10.036 9.702) 19.122 18.060 ( 9.848 -6.721 1.929) 12.078 19.165 ( 2.146 12.920 -9.232) 16.024 20.180 ( -5.848 -0.197 -16.156) 17.183 20.940 ( 9.394 -0.269 -5.452) 10.865 21.531 ( -5.638 12.379 10.390) 17.116 ======================= Grid point 184 (103/172) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 2.844 -30.335 -4.845) 30.851 3.348 ( -22.443 -28.862 -17.573) 40.564 3.780 ( 20.608 -11.317 -27.289) 36.020 4.564 ( -3.557 0.858 -3.567) 5.110 5.415 ( -5.973 2.522 13.085) 14.603 5.794 ( 10.106 -6.512 6.193) 13.524 6.274 ( 5.913 -2.154 -4.607) 7.800 7.026 ( 4.166 -9.196 0.966) 10.141 7.484 ( -17.738 12.668 2.020) 21.891 8.342 ( 3.401 16.480 5.475) 17.695 8.921 ( 0.033 6.318 1.438) 6.480 8.988 ( 1.389 15.817 7.469) 17.547 9.372 ( -4.347 15.949 -6.217) 17.661 9.759 ( 12.686 11.181 6.116) 17.982 9.928 ( 3.653 12.005 2.442) 12.784 10.402 ( -8.138 -8.744 -12.046) 16.964 10.959 ( 6.151 -6.757 -8.517) 12.491 11.156 ( -8.008 -13.068 -4.025) 15.847 12.060 ( -0.115 -0.642 -9.049) 9.072 12.282 ( 11.473 1.912 4.129) 12.342 12.531 ( -5.434 3.226 5.918) 8.657 13.000 ( -0.415 8.915 10.196) 13.551 13.230 ( -9.292 3.235 20.710) 22.929 13.554 ( 1.095 4.578 -7.449) 8.811 14.047 ( 3.250 -3.033 7.881) 9.048 14.482 ( 3.999 -8.232 -3.977) 9.978 14.841 ( 0.220 -3.056 1.186) 3.285 15.131 ( -6.200 0.197 -2.663) 6.751 15.615 ( 9.135 0.733 8.358) 12.403 15.921 ( -2.314 -1.814 1.553) 3.325 16.307 ( -8.981 -2.885 -2.008) 9.644 16.587 ( 5.492 -8.233 -5.538) 11.341 16.983 ( 2.198 -1.677 -3.657) 4.584 17.742 ( -13.471 -10.020 12.165) 20.733 18.223 ( 10.790 -6.284 8.077) 14.871 19.134 ( 1.203 13.139 -11.549) 17.534 19.869 ( -5.935 -2.864 -14.065) 15.532 20.936 ( 9.432 -4.399 -9.019) 13.772 21.705 ( -4.788 12.970 9.761) 16.924 ======================= Grid point 185 (104/172) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 11.064 -33.379 1.617) 35.202 2.509 ( -22.698 -37.471 -18.598) 47.594 3.606 ( 26.673 -11.525 -26.646) 39.424 4.472 ( -0.144 0.086 -5.174) 5.176 5.558 ( 2.199 3.883 7.526) 8.749 5.973 ( -0.469 -3.614 10.534) 11.147 6.320 ( 5.763 -2.563 2.834) 6.915 7.017 ( 4.096 -12.105 2.571) 13.035 7.445 ( -10.245 16.163 4.121) 19.575 8.516 ( -3.576 14.384 1.661) 14.914 8.966 ( 1.625 6.466 -2.389) 7.082 9.259 ( 4.548 11.540 8.739) 15.173 9.352 ( -7.275 10.446 0.460) 12.738 9.983 ( 8.011 -4.608 -6.710) 11.421 10.081 ( 4.968 10.929 -0.026) 12.005 10.154 ( -8.057 7.640 -0.291) 11.107 10.790 ( -2.908 -5.606 -10.762) 12.478 10.937 ( 0.163 -8.722 -7.881) 11.756 11.784 ( -4.577 -2.177 -17.205) 17.936 12.482 ( -0.970 -6.303 13.343) 14.788 12.624 ( 0.235 7.756 1.269) 7.863 13.117 ( -8.621 4.864 8.303) 12.920 13.454 ( 4.559 1.949 14.234) 15.073 13.524 ( 2.489 5.649 -3.498) 7.095 14.221 ( 3.494 1.609 -0.619) 3.896 14.420 ( 1.097 -7.502 6.630) 10.072 14.847 ( 0.161 -5.206 2.443) 5.753 15.063 ( -2.844 2.367 1.246) 3.904 15.760 ( -4.061 -8.261 7.783) 12.055 15.931 ( -1.119 4.373 -1.234) 4.680 16.116 ( -6.082 0.077 -7.248) 9.462 16.557 ( 8.938 -2.705 -0.997) 9.392 16.942 ( 3.013 0.695 -6.560) 7.252 17.710 ( -11.173 -9.588 15.530) 21.400 18.413 ( 3.667 -3.604 6.690) 8.437 19.067 ( 3.170 10.543 -11.450) 15.884 19.610 ( 0.062 -7.864 -10.213) 12.890 20.874 ( 7.933 -6.436 -8.642) 13.381 21.876 ( -3.018 12.252 7.960) 14.919 ======================= Grid point 188 (105/172) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 26.771 -32.849 13.571) 44.497 2.373 ( 36.616 16.214 28.593) 49.206 2.900 ( 46.747 -19.201 -11.360) 51.797 4.424 ( -0.481 -3.103 2.335) 3.913 5.626 ( -1.051 -0.803 -4.751) 4.932 6.331 ( 0.574 9.653 -7.784) 12.414 6.476 ( -1.763 -7.035 -5.684) 9.215 7.297 ( -8.020 3.938 3.481) 9.589 7.430 ( 6.310 -4.184 -12.283) 14.429 8.438 ( -19.532 0.291 4.626) 20.074 8.717 ( -1.057 6.827 5.401) 8.769 9.289 ( -9.957 6.128 -3.469) 12.195 9.464 ( -11.596 8.885 -4.959) 15.427 9.845 ( 8.545 3.222 -2.279) 9.412 10.017 ( -9.787 2.033 -1.212) 10.069 10.100 ( -5.086 -2.483 2.233) 6.085 10.586 ( 1.584 -1.157 3.368) 3.898 10.714 ( 5.783 -5.021 13.829) 15.808 11.475 ( 4.351 -3.288 7.138) 8.983 12.531 ( -11.137 -0.701 2.806) 11.506 12.904 ( 1.696 10.255 -10.844) 15.021 13.130 ( -9.867 4.315 2.539) 11.064 13.399 ( 1.147 -2.011 -3.145) 3.906 13.851 ( -5.786 -8.267 -4.827) 11.186 14.121 ( -0.967 2.038 5.067) 5.546 14.680 ( 11.951 -0.878 -4.990) 12.981 14.930 ( -2.452 6.721 -9.331) 11.757 15.132 ( -2.768 -1.964 -1.176) 3.592 15.708 ( -3.124 3.294 8.697) 9.810 15.765 ( 2.894 -3.006 10.164) 10.988 16.295 ( 2.713 -5.190 -11.618) 13.010 16.342 ( 5.101 2.440 12.407) 13.635 16.994 ( -7.006 -2.709 -11.716) 13.917 18.146 ( -3.909 -1.411 7.395) 8.483 18.489 ( -3.773 -1.661 1.963) 4.566 18.878 ( 9.907 -0.823 -7.986) 12.752 19.321 ( 13.925 0.425 5.284) 14.900 20.669 ( 6.415 0.124 2.601) 6.924 22.087 ( -10.530 1.283 -7.413) 12.941 ======================= Grid point 189 (106/172) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 25.962 -27.485 10.896) 39.347 3.077 ( 37.563 -19.607 -7.538) 43.038 3.407 ( 26.957 17.075 22.388) 38.980 4.416 ( -1.262 -0.894 2.402) 2.856 5.588 ( -0.487 3.026 -3.832) 4.907 6.145 ( -0.057 -4.649 -8.773) 9.929 6.424 ( 1.178 1.260 -5.539) 5.802 7.228 ( -10.064 4.572 -2.095) 11.251 7.329 ( 9.216 -5.448 -8.468) 13.650 8.270 ( -18.664 5.260 2.416) 19.541 8.825 ( -1.642 7.756 4.703) 9.218 9.184 ( -8.592 7.325 -1.987) 11.464 9.228 ( -13.117 6.153 -10.874) 18.115 9.878 ( -12.125 10.285 -0.357) 15.903 9.973 ( -3.729 7.463 -2.964) 8.854 10.077 ( 6.170 -9.607 7.652) 13.745 10.705 ( 3.864 -4.914 10.959) 12.617 10.955 ( 9.342 -7.204 11.093) 16.193 11.611 ( 0.039 -4.980 11.623) 12.645 12.452 ( -9.445 3.023 3.527) 10.526 12.747 ( -1.779 -2.572 -11.799) 12.207 13.041 ( -12.263 3.775 -1.357) 12.902 13.464 ( 6.586 8.910 -0.688) 11.101 13.621 ( -4.573 -0.714 -11.650) 12.535 14.133 ( -6.965 2.321 2.206) 7.666 14.622 ( 3.100 -7.651 -6.931) 10.779 14.932 ( 3.387 5.965 -3.157) 7.551 15.089 ( 2.274 -2.519 -1.725) 3.807 15.781 ( -4.661 1.421 4.846) 6.872 15.930 ( 5.330 -1.967 7.591) 9.482 16.133 ( 0.450 -13.511 -5.038) 14.427 16.560 ( 5.637 7.489 3.056) 9.860 16.830 ( -4.031 -0.946 2.022) 4.608 18.063 ( 2.252 -10.996 -9.001) 14.387 18.418 ( -7.383 -7.151 4.559) 11.244 18.940 ( 7.459 9.362 -4.861) 12.919 19.615 ( 13.448 2.775 7.756) 15.770 20.840 ( 7.302 3.837 6.753) 10.661 21.822 ( -13.047 1.490 -9.426) 16.164 ======================= Grid point 190 (107/172) ======================= q-point: ( 0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 22.027 -20.907 9.628) 31.859 3.174 ( 30.328 -22.033 -15.790) 40.677 3.938 ( 4.153 2.054 10.183) 11.188 4.572 ( 6.823 11.997 9.936) 17.006 5.445 ( -3.294 -3.771 -10.068) 11.245 6.185 ( 12.651 3.119 2.290) 13.229 6.331 ( -4.902 -1.974 -3.191) 6.173 7.037 ( -12.418 1.103 -5.214) 13.513 7.359 ( 12.587 -3.146 -4.352) 13.684 8.112 ( -16.432 9.152 0.064) 18.809 8.919 ( -3.135 11.868 -3.041) 12.646 8.966 ( -10.854 4.366 -1.188) 11.760 9.131 ( -4.752 8.466 -3.141) 10.204 9.791 ( -12.643 5.857 2.172) 14.102 9.870 ( -8.380 8.196 -4.766) 12.654 10.287 ( 11.185 -0.336 6.893) 13.143 10.896 ( 5.022 -6.639 12.039) 14.637 11.156 ( 9.646 -7.967 8.015) 14.858 11.742 ( -3.104 -7.501 16.161) 18.086 12.418 ( -10.092 5.082 1.999) 11.475 12.531 ( -1.751 -4.900 -9.309) 10.664 12.837 ( -9.631 -0.838 -7.097) 11.992 13.384 ( -2.982 1.898 -11.605) 12.131 13.659 ( 9.322 16.257 -3.150) 19.003 14.059 ( -12.479 5.174 1.469) 13.589 14.534 ( 1.691 -13.591 1.650) 13.795 14.929 ( 0.515 6.798 -6.227) 9.233 15.105 ( 6.346 -5.777 -0.512) 8.597 15.777 ( 0.215 -3.960 1.022) 4.095 15.935 ( -4.336 -8.289 -6.946) 11.651 16.090 ( 7.015 -1.907 5.542) 9.141 16.688 ( 1.518 -0.071 3.795) 4.088 16.893 ( -1.791 2.099 8.972) 9.387 17.865 ( 8.013 -12.557 -13.319) 19.982 18.341 ( -9.331 -7.404 6.705) 13.669 19.029 ( 3.760 11.353 -3.745) 12.532 19.890 ( 14.646 1.478 2.655) 14.958 21.088 ( 6.617 6.458 9.347) 13.147 21.520 ( -15.468 3.281 -9.192) 18.289 ======================= Grid point 191 (108/172) ======================= q-point: ( 0.50 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 4.992 -27.311 2.417) 27.869 3.135 ( 32.182 -11.979 -22.595) 41.106 4.041 ( 0.997 -5.133 8.256) 9.773 4.829 ( -1.576 10.270 3.359) 10.920 5.291 ( 5.119 -4.519 -5.836) 8.983 6.137 ( -11.365 -6.692 -2.817) 13.486 6.484 ( 12.608 6.067 4.698) 14.760 6.817 ( -10.689 -1.823 -2.852) 11.212 7.455 ( 12.142 -2.672 -0.248) 12.435 8.027 ( -12.181 13.927 2.487) 18.668 8.799 ( -3.450 11.400 -7.695) 14.180 9.039 ( -5.018 10.584 5.794) 13.068 9.086 ( -4.865 9.161 -3.401) 10.916 9.704 ( -8.279 4.488 -0.928) 9.462 9.786 ( -8.178 11.733 -1.884) 14.425 10.514 ( 10.171 1.777 4.252) 11.166 11.013 ( 3.468 -11.251 2.963) 12.140 11.335 ( 8.705 -6.039 8.296) 13.456 11.892 ( -4.069 -8.541 16.779) 19.263 12.302 ( -6.679 0.845 1.730) 6.951 12.329 ( -2.710 -2.439 -14.446) 14.899 12.737 ( -2.552 6.787 2.867) 7.797 13.197 ( -3.258 3.188 -11.806) 12.655 13.834 ( 6.174 10.600 -2.944) 12.615 13.974 ( -9.683 7.859 2.615) 12.742 14.495 ( -1.348 -14.182 5.772) 15.371 14.893 ( 0.546 5.093 -5.409) 7.449 15.136 ( 6.335 -6.769 0.479) 9.284 15.667 ( -3.065 -15.957 -4.451) 16.847 15.833 ( 0.874 6.098 -1.780) 6.412 16.227 ( 7.937 -2.054 1.815) 8.397 16.699 ( -4.208 -6.436 4.403) 8.861 17.021 ( -0.774 0.895 7.831) 7.920 17.738 ( 11.213 -9.759 -9.235) 17.500 18.264 ( -10.483 -7.391 7.500) 14.858 19.090 ( 1.731 11.857 -4.426) 12.774 20.067 ( 15.051 -0.703 -5.195) 15.938 21.192 ( -9.979 0.423 -8.807) 13.316 21.387 ( -1.690 11.894 11.462) 16.604 ======================= Grid point 192 (109/172) ======================= q-point: (-0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -3.317 -29.585 -9.996) 31.404 3.105 ( 29.064 -12.386 -26.241) 41.069 4.185 ( 3.715 -6.992 10.333) 13.018 4.763 ( -9.608 0.908 -5.788) 11.254 5.335 ( 10.109 -2.912 1.360) 10.608 5.880 ( -17.119 -5.442 0.313) 17.966 6.472 ( -7.380 -4.061 -8.365) 11.871 6.829 ( 5.019 1.036 4.686) 6.944 7.669 ( 13.732 -1.448 9.822) 16.945 8.060 ( -11.363 20.321 3.590) 23.557 8.759 ( 2.484 9.918 -9.757) 14.133 9.097 ( -6.013 15.865 3.768) 17.379 9.147 ( -1.055 10.210 4.778) 11.322 9.626 ( -4.662 9.586 -5.612) 12.047 9.784 ( -5.166 9.638 2.625) 11.246 10.668 ( 8.533 -1.405 -1.191) 8.730 10.890 ( -0.340 -12.543 -8.184) 14.981 11.476 ( 2.262 -9.320 5.298) 10.957 11.910 ( -4.489 -4.827 4.642) 8.062 12.094 ( 2.067 0.295 -12.559) 12.731 12.513 ( 8.005 5.098 19.574) 21.753 12.822 ( -7.756 12.381 2.043) 14.752 13.053 ( 1.133 -1.065 -2.500) 2.944 13.807 ( -8.157 2.541 -1.248) 8.634 14.060 ( 2.555 10.136 0.809) 10.484 14.441 ( -3.467 -12.564 4.540) 13.801 14.864 ( -0.007 2.751 -3.085) 4.134 15.198 ( 7.857 -6.888 2.984) 10.866 15.454 ( -5.154 -9.975 -3.618) 11.796 15.884 ( 3.384 3.814 -1.042) 5.204 16.297 ( 7.631 -1.799 -4.468) 9.024 16.653 ( -4.841 -9.582 6.534) 12.568 17.083 ( -3.307 -1.439 4.117) 5.473 17.744 ( 12.863 -7.677 -2.298) 15.155 18.185 ( -11.726 -7.416 8.660) 16.356 19.116 ( 0.837 12.155 -6.480) 13.800 20.091 ( 10.899 -1.909 -13.444) 17.412 20.947 ( -8.546 0.684 -7.019) 11.080 21.632 ( -1.692 11.118 11.847) 16.334 ======================= Grid point 193 (110/172) ======================= q-point: (-0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -2.956 -32.393 -10.129) 34.069 2.942 ( 29.158 -16.762 -31.460) 46.053 4.042 ( -17.107 -19.917 -12.178) 28.942 4.622 ( -0.614 -1.594 -0.105) 1.711 5.521 ( 7.958 0.335 5.561) 9.714 5.713 ( -13.003 -1.575 12.058) 17.803 6.221 ( -4.263 -5.172 -8.320) 10.684 6.918 ( 4.130 -4.384 1.691) 6.256 7.925 ( -9.041 2.623 9.453) 13.341 8.170 ( 4.264 23.116 3.314) 23.738 8.759 ( 6.859 5.793 -4.019) 9.837 9.202 ( -10.879 20.317 4.465) 23.475 9.351 ( 8.334 12.145 4.283) 15.339 9.574 ( -1.727 12.052 -5.491) 13.356 9.874 ( 0.246 8.404 4.678) 9.622 10.546 ( -2.899 -11.236 -11.318) 16.209 10.773 ( 6.582 -4.717 -5.364) 9.712 11.339 ( -5.198 -12.587 -7.243) 15.425 11.976 ( 9.007 3.255 -7.379) 12.090 12.033 ( 1.671 0.087 5.214) 5.476 12.752 ( -9.713 4.372 1.360) 10.738 12.968 ( 4.789 7.670 17.648) 19.829 13.198 ( 8.625 3.551 11.634) 14.911 13.683 ( -9.589 3.113 -2.436) 10.371 14.127 ( -3.661 2.157 2.548) 4.955 14.367 ( 0.332 -10.191 0.167) 10.198 14.846 ( -0.808 0.571 -0.177) 1.005 15.256 ( -0.812 -3.109 -3.323) 4.623 15.377 ( 6.557 -7.085 8.094) 12.598 15.928 ( 2.113 4.158 -2.020) 5.082 16.265 ( 6.927 -2.094 -10.152) 12.467 16.640 ( -5.352 -9.372 9.817) 14.590 17.028 ( -5.443 -2.657 -1.797) 6.318 17.882 ( 14.014 -7.928 5.558) 17.033 18.111 ( -12.792 -7.175 10.205) 17.868 19.098 ( 0.623 11.988 -9.590) 15.365 19.930 ( 3.127 -1.743 -18.525) 18.868 20.795 ( -0.714 -2.107 -5.761) 6.176 21.836 ( -4.127 10.474 10.497) 15.393 ======================= Grid point 194 (111/172) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 3.523 -38.451 -2.226) 38.676 2.718 ( 31.419 -20.571 -33.475) 50.308 3.264 ( -26.655 -31.685 -25.430) 48.591 4.567 ( -3.002 -2.019 -4.068) 5.444 5.564 ( -5.254 0.185 4.064) 6.645 5.969 ( 1.807 1.416 23.046) 23.160 6.118 ( 7.359 -3.965 -2.496) 8.724 6.938 ( 2.641 -9.585 2.624) 10.283 7.825 ( -18.329 14.843 -1.296) 23.621 8.492 ( 5.879 14.170 7.442) 17.051 8.900 ( 8.643 5.457 1.168) 10.288 9.225 ( -7.203 16.354 -2.346) 18.023 9.524 ( -4.846 19.331 1.752) 20.006 9.692 ( 11.584 4.089 1.320) 12.355 10.021 ( 2.313 8.940 3.018) 9.715 10.293 ( -2.912 -5.063 -6.813) 8.974 10.713 ( 5.547 -5.877 -8.292) 11.579 11.057 ( -5.690 -9.109 -9.369) 14.252 11.830 ( 1.134 -2.391 -16.784) 16.992 12.292 ( 9.931 2.865 11.619) 15.551 12.748 ( -7.279 2.902 8.431) 11.510 13.148 ( -1.717 1.538 4.466) 5.026 13.519 ( 0.106 8.331 -2.268) 8.635 13.643 ( -3.303 4.424 16.626) 17.519 14.116 ( -2.302 -1.966 5.140) 5.966 14.312 ( 4.884 -11.249 -1.123) 12.315 14.847 ( -0.883 0.150 1.508) 1.754 15.167 ( -3.812 0.178 -1.515) 4.106 15.616 ( 11.552 -3.934 11.443) 16.729 15.940 ( 0.669 6.110 -3.432) 7.039 16.166 ( 6.294 -2.985 -11.906) 13.794 16.621 ( -12.648 -6.922 8.283) 16.628 16.887 ( -1.163 -3.396 -5.541) 6.602 18.050 ( -14.248 -9.063 14.666) 22.366 18.141 ( 15.513 -6.067 9.877) 19.365 19.028 ( 0.729 11.089 -13.221) 17.271 19.646 ( -0.737 -2.624 -19.446) 19.636 20.710 ( 3.629 -4.607 -5.768) 8.226 21.985 ( -5.162 9.304 8.650) 13.712 ======================= Grid point 195 (112/172) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 8.758 -41.790 4.274) 42.912 2.203 ( -21.861 -43.984 -21.763) 53.722 2.584 ( 38.113 -20.277 -36.159) 56.314 4.442 ( -2.862 -1.856 -4.276) 5.470 5.583 ( 0.787 1.056 3.295) 3.548 6.252 ( -3.556 5.082 10.913) 12.553 6.282 ( 9.060 -7.169 14.837) 18.804 6.939 ( 2.068 -14.796 6.507) 16.295 7.731 ( -10.796 20.250 -2.635) 23.099 8.681 ( -3.608 11.666 1.525) 12.306 8.938 ( -0.411 10.947 -9.667) 14.611 9.327 ( 6.009 3.748 6.475) 9.596 9.642 ( -5.535 17.819 4.552) 19.206 9.736 ( 1.221 -8.701 -5.975) 10.625 10.133 ( 1.766 9.126 1.393) 9.399 10.251 ( 0.845 7.060 -3.035) 7.731 10.627 ( 5.560 -1.943 -6.800) 8.996 10.800 ( -8.468 -4.968 -7.752) 12.509 11.554 ( -0.960 -4.865 -15.291) 16.075 12.572 ( 5.245 -1.044 9.383) 10.800 12.798 ( -7.087 3.230 7.282) 10.662 13.192 ( 5.481 -0.888 1.848) 5.851 13.487 ( -3.293 10.767 -4.630) 12.174 13.746 ( -11.245 -2.292 8.748) 14.430 14.165 ( 0.853 -2.154 -1.321) 2.667 14.414 ( 11.879 -7.962 9.918) 17.404 14.884 ( -0.795 1.462 5.404) 5.654 15.137 ( -1.510 3.583 1.634) 4.217 15.805 ( 2.353 -4.070 2.597) 5.371 15.924 ( 0.936 5.118 -10.146) 11.402 16.096 ( -5.565 -2.500 1.364) 6.252 16.454 ( 1.708 -2.659 -4.765) 5.718 16.871 ( 0.598 -1.805 5.496) 5.816 18.034 ( -12.477 -6.427 15.129) 20.636 18.436 ( 7.954 -4.745 10.875) 14.284 18.904 ( 2.806 8.176 -14.870) 17.200 19.351 ( 2.155 -6.518 -16.236) 17.628 20.646 ( 4.650 -5.609 -5.086) 8.886 22.106 ( -3.595 8.145 7.501) 11.641 ======================= Grid point 229 (113/172) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 0.000 -0.000 24.231) 24.231 3.039 ( 0.000 -0.000 24.231) 24.231 4.142 ( 0.000 -0.000 37.005) 37.005 4.875 ( 0.000 -0.000 5.790) 5.790 5.072 ( -0.000 0.000 -8.262) 8.262 5.072 ( -0.000 0.000 -8.262) 8.262 6.746 ( 0.000 -0.000 7.255) 7.255 6.746 ( 0.000 -0.000 7.255) 7.255 7.669 ( -0.000 0.000 -13.219) 13.219 8.887 ( -0.000 0.000 -4.117) 4.117 8.887 ( -0.000 0.000 -4.117) 4.117 9.559 ( -0.000 0.000 -15.707) 15.707 9.804 ( -0.000 0.000 -3.335) 3.335 9.804 ( -0.000 0.000 -3.335) 3.335 10.269 ( 0.000 -0.000 0.752) 0.752 10.420 ( 0.000 -0.000 22.592) 22.592 10.741 ( -0.000 0.000 -2.323) 2.323 10.741 ( -0.000 0.000 -2.323) 2.323 11.705 ( -0.000 0.000 -8.474) 8.474 12.542 ( -0.000 0.000 -8.595) 8.595 12.542 ( -0.000 0.000 -8.595) 8.595 12.931 ( 0.000 -0.000 24.784) 24.784 13.125 ( -0.000 0.000 -21.477) 21.477 13.125 ( -0.000 0.000 -21.477) 21.477 13.911 ( 0.000 0.000 0.716) 0.716 13.911 ( 0.000 -0.000 0.716) 0.716 15.136 ( 0.000 -0.000 6.805) 6.805 15.250 ( 0.000 -0.000 2.297) 2.297 15.250 ( 0.000 -0.000 2.297) 2.297 16.295 ( -0.000 0.000 -4.947) 4.947 16.295 ( -0.000 -0.000 -4.947) 4.947 16.298 ( 0.000 -0.000 2.457) 2.457 16.415 ( 0.000 -0.000 1.714) 1.714 17.771 ( 0.000 -0.000 1.187) 1.187 17.771 ( 0.000 -0.000 1.187) 1.187 20.174 ( 0.000 -0.000 10.910) 10.910 20.174 ( 0.000 -0.000 10.910) 10.910 20.767 ( 0.000 -0.000 2.325) 2.325 21.852 ( -0.000 0.000 -8.774) 8.774 ======================= Grid point 230 (114/172) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( -13.301 -11.304 15.939) 23.638 3.535 ( 4.143 6.988 18.850) 20.526 4.596 ( -1.388 3.351 19.980) 20.306 4.778 ( -4.790 -19.949 3.545) 20.820 4.943 ( -7.792 12.599 -0.884) 14.840 5.326 ( 22.034 7.612 6.811) 24.287 6.780 ( -2.416 -0.944 6.552) 7.047 6.891 ( 2.869 0.014 3.617) 4.617 7.456 ( -4.560 -1.124 -10.839) 11.812 8.653 ( -7.080 -6.349 -7.831) 12.319 8.920 ( 3.050 5.501 -6.235) 8.857 9.315 ( -0.277 -2.370 -15.297) 15.482 9.645 ( -10.295 -3.548 -1.242) 10.960 9.811 ( 1.760 -0.224 -2.573) 3.126 10.228 ( -1.386 -1.519 -2.611) 3.324 10.674 ( -0.786 -0.562 -3.793) 3.914 10.765 ( 7.563 3.789 -3.128) 9.019 10.826 ( 2.343 1.859 23.811) 23.998 11.562 ( -3.752 -3.524 -7.505) 9.100 12.336 ( 1.349 -2.490 -9.343) 9.763 12.560 ( -4.547 0.335 -9.213) 10.279 12.595 ( -2.721 -0.486 -19.111) 19.310 13.021 ( 9.820 5.005 -14.939) 18.565 13.265 ( -1.674 2.883 18.870) 19.162 13.863 ( 2.602 -1.906 1.677) 3.635 14.075 ( 8.563 6.843 0.391) 10.968 15.165 ( -10.384 3.799 5.843) 12.506 15.215 ( 1.785 -12.303 5.586) 13.630 15.419 ( 5.965 6.087 2.184) 8.798 16.103 ( -10.438 -0.716 -0.844) 10.496 16.305 ( 7.333 -9.811 -0.622) 12.264 16.403 ( 2.332 9.892 -1.918) 10.343 16.459 ( 3.683 2.306 1.341) 4.547 17.758 ( -3.948 0.230 4.071) 5.676 17.847 ( 4.333 0.020 1.665) 4.642 20.134 ( -8.641 -10.693 5.980) 14.992 20.343 ( -8.355 4.135 7.023) 11.672 20.873 ( 14.140 4.547 -1.382) 14.918 21.698 ( -4.157 -2.042 -7.465) 8.785 ======================= Grid point 231 (115/172) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -12.476 -15.646 7.676) 21.433 3.795 ( -9.875 5.069 16.471) 19.863 4.618 ( -7.824 3.215 -0.736) 8.490 4.772 ( -12.625 -11.216 16.087) 23.323 4.998 ( 8.475 4.375 -0.217) 9.540 5.804 ( 20.314 5.125 11.493) 23.896 6.861 ( -2.930 -1.648 3.356) 4.750 6.910 ( 4.614 -2.949 0.839) 5.540 7.269 ( -5.381 4.399 -6.393) 9.443 8.448 ( -2.215 -5.291 -4.684) 7.405 8.863 ( -3.897 6.601 -7.510) 10.731 9.096 ( 5.595 -2.715 -16.269) 17.417 9.468 ( -8.227 -5.702 -3.242) 10.522 9.748 ( -3.338 1.912 -4.959) 6.276 10.176 ( 2.888 -0.842 -4.412) 5.340 10.563 ( -4.530 1.751 -6.238) 7.906 10.893 ( 12.387 0.762 0.646) 12.427 11.118 ( -8.926 -7.055 19.213) 22.329 11.342 ( -5.740 -6.099 -8.599) 12.003 12.080 ( -9.532 -1.731 -11.819) 15.282 12.320 ( 9.406 1.373 -7.036) 11.827 12.628 ( 7.934 8.607 -7.573) 13.942 13.044 ( 10.585 8.768 -6.581) 15.239 13.452 ( -4.307 3.465 10.207) 11.607 14.010 ( 9.511 2.093 6.416) 11.662 14.210 ( 8.016 4.649 -2.708) 9.654 15.139 ( -6.947 -0.847 4.865) 8.524 15.240 ( -1.027 -8.780 6.841) 11.177 15.520 ( 1.661 3.353 0.053) 3.742 15.992 ( -9.221 1.843 2.101) 9.635 16.318 ( 4.350 -9.673 2.071) 10.806 16.466 ( 2.816 6.940 -1.807) 7.705 16.572 ( 6.516 3.781 1.658) 7.714 17.790 ( -4.486 2.355 6.326) 8.105 17.931 ( 5.062 -2.028 3.040) 6.244 19.982 ( -9.160 -13.782 1.538) 16.620 20.263 ( -15.072 4.270 0.128) 15.666 21.082 ( 17.471 5.528 -7.041) 19.630 21.532 ( -5.477 -3.109 -1.751) 6.536 ======================= Grid point 232 (116/172) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -13.354 -20.909 6.338) 25.606 3.855 ( -23.282 2.692 17.201) 29.072 4.501 ( -9.733 8.007 -5.750) 13.853 4.702 ( -14.810 -11.815 9.392) 21.145 5.185 ( 13.564 -0.727 4.598) 14.341 6.181 ( 15.847 1.204 4.826) 16.610 6.691 ( -7.286 -10.747 -2.589) 13.239 7.066 ( 0.221 4.643 1.607) 4.918 7.232 ( 5.586 9.130 -0.067) 10.703 8.408 ( 3.448 -2.890 1.648) 4.791 8.675 ( -7.993 4.071 -13.470) 16.183 8.971 ( 9.692 3.932 -15.439) 18.648 9.249 ( -4.350 -7.526 -7.741) 11.640 9.656 ( -1.321 1.801 -4.925) 5.407 10.136 ( 3.865 1.719 -8.518) 9.511 10.434 ( -6.884 1.015 -2.198) 7.297 10.972 ( -9.187 -9.569 0.718) 13.285 11.054 ( -10.535 -14.917 5.148) 18.974 11.184 ( 6.239 2.708 1.465) 6.957 12.016 ( 2.352 9.515 1.035) 9.856 12.403 ( 11.393 -0.824 -1.316) 11.498 12.672 ( 8.363 6.980 -8.797) 14.001 13.214 ( 11.850 13.440 -2.306) 18.066 13.563 ( -1.735 3.916 8.550) 9.563 14.204 ( -2.884 17.183 -3.358) 17.744 14.305 ( 18.546 -10.925 1.960) 21.614 15.126 ( -4.329 -4.310 6.173) 8.684 15.236 ( -4.075 -5.876 3.671) 8.038 15.521 ( -0.235 1.415 -2.509) 2.890 15.952 ( -8.739 2.127 5.757) 10.678 16.333 ( 0.441 -7.968 4.622) 9.222 16.511 ( 1.553 5.286 -2.520) 6.058 16.722 ( 8.576 3.074 2.172) 9.365 17.852 ( -3.345 2.425 6.335) 7.564 18.050 ( 4.847 -2.026 7.483) 9.143 19.756 ( -10.157 -12.574 -2.152) 16.307 20.056 ( -14.128 1.597 -5.628) 15.291 21.068 ( 1.220 0.064 -12.408) 12.468 21.569 ( 7.842 2.251 3.513) 8.883 ======================= Grid point 233 (117/172) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -12.824 -26.776 12.618) 32.259 3.715 ( -36.301 1.144 12.683) 38.470 4.319 ( -10.025 -8.021 -7.545) 14.892 4.516 ( -16.948 -0.920 6.193) 18.068 5.436 ( 13.625 0.529 4.425) 14.335 6.283 ( 4.153 -5.579 -7.964) 10.573 6.600 ( 3.191 -5.653 3.507) 7.378 7.007 ( -8.687 9.815 -1.280) 13.169 7.497 ( 15.002 2.494 4.438) 15.843 8.345 ( -8.507 4.974 -16.511) 19.228 8.509 ( 3.996 2.065 1.089) 4.628 8.943 ( 12.814 5.081 -12.117) 18.353 9.091 ( 3.246 -3.508 -6.531) 8.093 9.596 ( 4.382 -0.318 -6.665) 7.983 10.050 ( 2.501 4.182 -11.244) 12.254 10.346 ( -8.921 0.220 3.052) 9.431 10.775 ( -9.468 -4.871 0.752) 10.674 10.915 ( -10.925 -14.603 11.936) 21.796 11.391 ( 6.684 2.243 7.215) 10.088 12.182 ( 7.206 10.273 1.842) 12.682 12.528 ( 12.360 -7.753 0.482) 14.598 12.705 ( 7.759 9.437 -7.087) 14.124 13.406 ( 9.200 12.793 -4.697) 16.443 13.745 ( 0.988 7.125 11.284) 13.382 14.134 ( -1.739 7.546 -11.453) 13.825 14.510 ( 14.430 -3.814 1.833) 15.038 15.106 ( -5.172 -16.283 2.073) 17.210 15.174 ( -4.512 6.567 2.422) 8.328 15.508 ( 1.965 1.707 -1.262) 2.893 15.950 ( -9.342 -1.944 8.981) 13.104 16.331 ( -0.059 -8.975 1.996) 9.195 16.517 ( -3.395 5.891 0.734) 6.839 16.879 ( 7.082 5.042 0.717) 8.723 17.922 ( 0.958 -2.296 5.903) 6.406 18.245 ( 3.063 2.049 11.852) 12.412 19.483 ( -11.823 -8.327 -5.873) 15.608 19.777 ( -11.464 -3.638 -8.847) 14.931 20.882 ( -3.892 -2.845 -7.204) 8.668 21.752 ( 10.871 6.084 -0.712) 12.479 ======================= Grid point 234 (118/172) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -8.521 -32.374 22.671) 40.431 3.294 ( -37.199 -9.563 -3.170) 38.540 3.888 ( -36.001 -11.701 4.692) 38.144 4.502 ( -4.914 5.206 4.709) 8.569 5.603 ( 6.027 3.901 -2.188) 7.506 6.142 ( 3.767 -8.952 -7.213) 12.097 6.568 ( -0.607 -3.080 -7.622) 8.243 7.119 ( 2.713 14.667 8.793) 17.315 7.558 ( 1.261 -11.159 -10.362) 15.281 8.217 ( 3.961 19.463 -4.171) 20.295 8.585 ( 4.957 -1.354 1.993) 5.512 9.006 ( 12.209 2.775 -7.510) 14.600 9.103 ( 12.607 4.902 -6.021) 14.806 9.584 ( 10.911 -2.242 -6.748) 13.023 9.963 ( 2.618 5.307 -9.143) 10.890 10.292 ( -10.543 0.776 6.080) 12.195 10.692 ( -5.569 -4.639 4.861) 8.728 10.917 ( -9.483 -9.059 17.452) 21.830 11.553 ( -0.152 0.220 8.592) 8.596 12.355 ( 10.489 3.812 -3.467) 11.686 12.606 ( 10.760 -2.743 -1.297) 11.179 12.851 ( 10.988 9.065 0.235) 14.247 13.487 ( 1.061 7.932 -3.877) 8.892 13.900 ( -1.279 12.138 -8.061) 14.627 14.045 ( 3.681 -0.520 2.224) 4.331 14.648 ( 11.441 -0.318 -3.644) 12.011 14.873 ( -7.956 -12.418 -4.941) 15.554 15.231 ( -3.937 4.703 3.921) 7.279 15.573 ( 5.493 0.499 3.002) 6.279 15.938 ( -9.110 -5.173 9.487) 14.133 16.222 ( 0.929 -13.594 -5.755) 14.791 16.579 ( -7.481 8.788 9.746) 15.105 16.964 ( 1.830 7.756 -4.209) 9.012 18.030 ( 6.699 -7.288 7.290) 12.294 18.461 ( 0.500 5.022 9.389) 10.659 19.154 ( -13.384 -2.468 -12.518) 18.491 19.507 ( -8.074 -9.176 -1.924) 12.373 20.751 ( -3.116 -3.759 -1.207) 5.029 21.891 ( 9.072 8.600 -5.129) 13.512 ======================= Grid point 235 (119/172) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -16.965 -29.326 13.087) 36.320 2.590 ( -22.992 -31.999 5.858) 39.836 3.483 ( -45.809 1.422 17.248) 48.969 4.543 ( -4.397 3.137 4.282) 6.893 5.607 ( -1.109 6.075 -4.408) 7.588 6.057 ( 8.182 -6.376 -7.799) 12.978 6.371 ( -3.521 -4.799 -12.329) 13.690 7.187 ( -6.179 -9.773 -10.107) 15.358 7.506 ( 6.055 20.455 7.382) 22.574 8.399 ( 11.832 9.760 -6.202) 16.545 8.737 ( 6.958 1.389 8.991) 11.453 9.065 ( 12.405 1.520 -7.231) 14.439 9.272 ( 15.261 12.335 -4.370) 20.104 9.637 ( 13.210 -5.146 -4.350) 14.829 9.951 ( 5.356 4.938 -4.617) 8.624 10.273 ( -9.049 1.624 7.491) 11.859 10.686 ( -3.759 -7.104 8.024) 11.357 11.005 ( -8.890 -2.945 15.472) 18.086 11.668 ( -3.163 -1.634 12.220) 12.728 12.375 ( 11.010 -5.417 -9.933) 15.787 12.738 ( 5.854 8.080 -1.698) 10.121 13.075 ( 11.789 7.350 0.164) 13.894 13.440 ( -5.832 4.144 -1.399) 7.290 13.797 ( 4.173 5.892 -14.230) 15.957 14.143 ( 1.442 0.541 1.696) 2.291 14.540 ( -5.834 -9.528 -9.030) 14.365 14.790 ( 5.037 -0.054 1.704) 5.318 15.213 ( -6.598 3.527 -0.795) 7.524 15.724 ( 8.371 0.445 1.798) 8.573 15.885 ( -5.540 -6.301 0.019) 8.390 16.087 ( 0.785 -14.641 5.477) 15.652 16.698 ( -9.871 11.325 9.250) 17.643 16.911 ( -2.136 4.310 -7.465) 8.881 18.154 ( 6.082 -6.256 2.097) 8.974 18.495 ( -6.156 -2.883 -8.692) 11.035 18.839 ( -5.346 3.493 -3.498) 7.281 19.457 ( -4.182 -5.964 13.633) 15.457 20.706 ( -2.066 -4.553 3.198) 5.935 21.962 ( 6.690 10.001 -8.103) 14.506 ======================= Grid point 240 (120/172) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -3.776 -17.712 9.646) 20.518 3.795 ( 4.438 18.072 9.954) 21.103 4.709 ( 6.136 -16.263 8.747) 19.459 4.769 ( -7.128 -7.490 0.131) 10.340 5.254 ( 13.403 13.122 9.465) 21.010 5.388 ( -13.386 10.457 19.517) 25.874 6.828 ( 0.299 -3.834 2.290) 4.476 6.929 ( -1.606 1.731 0.866) 2.514 7.322 ( 1.927 -2.165 -8.757) 9.225 8.522 ( -1.930 -10.271 -7.593) 12.917 8.804 ( 3.178 7.274 -10.690) 13.315 9.091 ( -1.668 -3.185 -14.093) 14.545 9.649 ( -1.912 -3.709 -7.068) 8.208 9.713 ( 2.753 -2.729 -3.423) 5.171 10.157 ( -0.590 -5.181 -4.855) 7.125 10.637 ( 6.190 0.886 -3.442) 7.138 10.707 ( -6.810 6.662 -0.796) 9.560 11.207 ( -0.016 4.690 22.207) 22.697 11.512 ( -1.931 -6.340 0.307) 6.634 12.113 ( 0.576 -7.771 -11.346) 13.765 12.315 ( -0.128 -11.964 -19.220) 22.640 12.524 ( 1.358 15.235 -6.084) 16.461 12.800 ( 0.679 13.701 -11.535) 17.923 13.542 ( 2.548 -3.655 17.322) 17.885 13.810 ( -2.229 -6.796 0.348) 7.160 14.143 ( 0.182 18.782 0.394) 18.787 15.182 ( 1.052 -10.874 4.222) 11.712 15.368 ( -6.204 2.661 2.045) 7.054 15.436 ( 4.522 5.424 4.900) 8.595 16.132 ( 6.674 -8.836 3.118) 11.504 16.242 ( -8.871 -2.446 0.523) 9.217 16.428 ( 1.705 7.554 0.065) 7.745 16.491 ( 0.599 4.520 2.815) 5.358 17.814 ( 1.668 -3.320 3.975) 5.441 17.900 ( -1.713 3.997 5.281) 6.841 20.149 ( -3.227 -18.069 2.647) 18.545 20.539 ( 12.220 7.567 4.104) 14.948 20.719 ( -9.090 7.291 -10.371) 15.600 21.613 ( 0.092 -4.045 -4.464) 6.025 ======================= Grid point 241 (121/172) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -12.114 -16.345 6.116) 21.244 4.097 ( 1.694 16.453 7.116) 18.006 4.625 ( -4.516 -10.560 -0.539) 11.498 4.841 ( 11.102 -11.475 7.733) 17.740 5.352 ( -25.499 13.496 12.751) 31.543 5.777 ( 14.647 2.010 12.494) 19.356 6.802 ( -0.131 -6.110 -4.116) 7.368 6.939 ( 1.810 1.238 4.320) 4.845 7.228 ( 1.220 1.547 -7.067) 7.337 8.353 ( -0.019 -5.471 -3.672) 6.589 8.745 ( 6.129 7.154 -13.738) 16.657 8.839 ( -3.202 -3.467 -12.830) 13.671 9.392 ( -5.993 -7.159 -12.453) 15.564 9.670 ( 1.320 1.750 -8.882) 9.149 10.043 ( 2.172 -4.704 -6.138) 8.033 10.633 ( -7.976 5.784 -0.033) 9.852 10.785 ( 10.668 0.613 5.057) 11.822 11.282 ( -6.935 -4.686 -4.660) 9.579 11.479 ( -16.116 -11.406 15.381) 25.028 11.977 ( 1.857 -3.807 -9.984) 10.846 12.097 ( 11.595 -3.251 -0.401) 12.049 12.563 ( 0.783 14.913 -5.905) 16.059 12.880 ( 11.857 17.966 -7.320) 22.737 13.660 ( -6.042 -1.250 7.404) 9.638 13.881 ( 13.960 -7.832 3.660) 16.420 14.268 ( -2.028 20.201 -1.699) 20.373 15.159 ( 0.540 -10.898 3.261) 11.388 15.353 ( -4.297 2.278 1.700) 5.152 15.535 ( -0.388 1.651 1.190) 2.072 16.155 ( -6.414 -3.559 4.266) 8.486 16.231 ( 5.249 -6.632 7.168) 11.087 16.491 ( 0.616 4.659 1.614) 4.969 16.594 ( 2.190 4.995 3.240) 6.344 17.859 ( 1.438 -4.614 3.393) 5.905 18.020 ( -1.196 5.363 9.369) 10.862 19.972 ( -6.408 -15.074 -0.911) 16.405 20.432 ( -14.003 4.677 -12.453) 19.314 20.796 ( 15.764 5.787 -4.078) 17.281 21.526 ( -1.190 -3.443 -1.562) 3.964 ======================= Grid point 242 (122/172) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -14.524 -17.127 8.331) 23.952 4.268 ( -8.141 9.118 8.315) 14.783 4.448 ( -3.954 -6.686 -7.786) 10.998 5.031 ( 10.262 -14.800 10.572) 20.883 5.250 ( -28.276 11.602 10.296) 32.251 6.052 ( 10.946 1.030 0.707) 11.017 6.656 ( -3.698 -7.944 -1.815) 8.948 7.106 ( 3.035 1.757 1.949) 4.013 7.182 ( 7.716 4.659 -2.249) 9.290 8.344 ( 5.202 -2.063 0.110) 5.597 8.571 ( -5.714 3.142 -16.750) 17.974 8.678 ( 7.258 5.863 -12.831) 15.865 9.092 ( -2.637 -6.816 -12.040) 14.085 9.530 ( 1.028 1.295 -12.976) 13.081 9.957 ( 4.231 -0.810 -9.103) 10.071 10.591 ( -10.334 3.726 5.736) 12.393 10.967 ( -1.026 -5.961 2.431) 6.519 11.141 ( 1.664 -1.263 4.598) 5.051 11.324 ( -15.258 -11.884 11.227) 22.362 11.962 ( 9.491 1.607 -4.661) 10.695 12.265 ( 9.613 -3.906 3.372) 10.910 12.604 ( 0.695 12.427 -2.844) 12.767 13.088 ( 13.726 18.125 -6.224) 23.572 13.736 ( -0.226 3.855 8.725) 9.541 13.981 ( 12.078 -6.139 -7.952) 15.710 14.361 ( -1.722 16.839 0.084) 16.927 15.148 ( 1.333 -13.589 5.443) 14.699 15.313 ( -5.381 2.288 -1.650) 6.076 15.505 ( -2.023 0.919 -2.311) 3.206 16.147 ( -5.429 -6.139 8.939) 12.127 16.323 ( 0.033 -5.186 4.802) 7.068 16.574 ( 0.230 4.874 4.652) 6.742 16.718 ( 4.343 3.294 4.577) 7.118 17.880 ( 1.509 -7.230 3.004) 7.973 18.217 ( -0.058 6.577 12.572) 14.188 19.752 ( -8.764 -8.309 -4.479) 12.880 20.079 ( -11.625 -1.341 -14.678) 18.772 20.875 ( 5.202 2.709 -7.676) 9.660 21.531 ( 5.184 0.988 0.458) 5.297 ======================= Grid point 243 (123/172) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -14.110 -20.821 14.119) 28.844 4.036 ( -21.020 -13.271 -8.072) 26.137 4.415 ( -4.656 7.897 5.001) 10.443 4.968 ( -29.236 -7.441 12.516) 32.661 5.317 ( 11.305 2.703 2.382) 11.865 6.076 ( 3.432 0.212 -8.990) 9.625 6.591 ( -2.245 -5.155 2.169) 6.026 7.081 ( 2.560 6.640 -4.396) 8.365 7.390 ( 9.881 -2.671 3.310) 10.758 8.261 ( -5.218 6.371 -14.116) 16.343 8.436 ( 6.968 3.037 -2.468) 7.992 8.696 ( 9.935 8.880 -6.883) 14.998 8.912 ( 3.387 -3.103 -8.759) 9.890 9.373 ( 5.301 -0.391 -13.415) 14.429 9.878 ( 4.353 3.738 -10.509) 11.973 10.578 ( -12.326 1.480 9.070) 15.375 10.856 ( -7.536 -6.618 3.492) 10.620 11.194 ( -11.136 -9.887 16.171) 21.983 11.457 ( 6.845 1.291 11.984) 13.861 12.047 ( 12.067 0.256 -4.442) 12.861 12.353 ( 9.298 -2.771 -1.840) 9.875 12.685 ( 2.221 8.858 -0.085) 9.132 13.293 ( 11.954 15.068 -4.416) 19.734 13.869 ( 6.768 1.535 -18.474) 19.735 13.950 ( 2.421 4.339 10.793) 11.882 14.464 ( 1.995 11.059 -1.155) 11.297 15.059 ( -5.472 -17.188 -0.534) 18.046 15.282 ( -0.617 3.484 2.682) 4.439 15.479 ( 0.900 2.394 -1.766) 3.108 16.153 ( -6.126 -10.978 10.213) 16.197 16.273 ( -5.042 -6.940 -0.824) 8.618 16.697 ( -1.940 6.782 7.592) 10.363 16.881 ( 4.755 4.358 4.861) 8.077 17.889 ( 3.417 -10.891 3.801) 12.031 18.453 ( 0.611 5.807 11.785) 13.152 19.476 ( -10.909 -0.826 -13.139) 17.098 19.741 ( -10.538 -5.582 -6.470) 13.568 20.803 ( -0.379 -0.430 -5.396) 5.427 21.647 ( 9.415 5.849 -2.429) 11.346 ======================= Grid point 244 (124/172) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -9.808 -25.819 21.652) 35.095 3.438 ( -30.896 -19.037 -11.170) 37.970 4.429 ( -19.499 3.978 8.700) 21.719 4.725 ( -18.425 -4.313 6.159) 19.900 5.487 ( 10.694 0.893 -1.348) 10.816 5.960 ( -0.501 3.234 -9.582) 10.125 6.493 ( -6.495 -4.541 -2.971) 8.464 7.177 ( 7.402 0.390 -2.617) 7.861 7.414 ( 2.140 3.260 -1.780) 4.287 8.176 ( 4.637 11.532 -8.741) 15.195 8.565 ( 6.964 0.936 6.154) 9.341 8.787 ( 8.517 6.309 -7.581) 13.031 8.908 ( 12.398 7.755 -5.060) 15.474 9.307 ( 11.247 -1.056 -9.044) 14.471 9.831 ( 4.551 7.240 -9.042) 12.445 10.559 ( -12.984 0.258 10.003) 16.392 10.797 ( -5.497 -8.650 6.728) 12.260 11.261 ( -10.549 -6.724 19.440) 23.117 11.682 ( 2.334 -1.514 10.487) 10.849 12.104 ( 9.643 -2.445 -6.279) 11.764 12.498 ( 13.863 3.936 1.316) 14.471 12.776 ( 7.822 7.545 -3.689) 11.477 13.484 ( 6.016 9.687 -0.187) 11.405 13.647 ( 6.111 2.142 -21.579) 22.530 14.127 ( -1.013 1.473 5.842) 6.110 14.529 ( 3.577 10.807 -5.549) 12.664 14.839 ( -6.551 -12.204 -1.046) 13.891 15.345 ( -2.766 2.992 2.305) 4.682 15.526 ( 6.537 0.029 1.319) 6.669 16.081 ( -6.375 -13.161 -3.463) 15.028 16.140 ( -7.398 -10.326 10.460) 16.455 16.834 ( -1.463 6.500 7.246) 9.843 16.986 ( -2.341 6.924 0.098) 7.310 17.937 ( 7.799 -13.695 5.492) 16.689 18.595 ( -1.594 0.577 2.816) 3.287 19.102 ( -11.715 3.197 -16.817) 20.743 19.596 ( -7.767 -3.005 7.481) 11.195 20.745 ( -0.757 -1.053 -0.417) 1.362 21.756 ( 9.273 8.692 -6.630) 14.335 ======================= Grid point 245 (125/172) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -31.231 -19.332 -0.224) 36.731 2.777 ( -9.291 -31.958 22.813) 40.349 4.229 ( -32.466 2.689 10.674) 34.282 4.648 ( -2.597 -2.475 1.535) 3.902 5.551 ( 5.937 -1.354 -3.854) 7.206 5.855 ( -0.683 8.363 -10.287) 13.275 6.310 ( -10.645 -3.468 -1.589) 11.308 7.051 ( -1.569 -9.781 -6.056) 11.610 7.676 ( 10.968 22.680 5.755) 25.842 8.159 ( 7.051 1.258 -12.236) 14.178 8.676 ( 8.559 -8.108 -0.592) 11.804 8.943 ( 11.164 16.999 -0.028) 20.338 9.140 ( 14.304 12.846 0.684) 19.238 9.370 ( 13.958 -0.943 -3.626) 14.452 9.837 ( 5.591 7.166 -6.783) 11.341 10.548 ( -12.195 -1.048 10.914) 16.399 10.772 ( -2.829 -10.185 6.807) 12.572 11.347 ( -11.934 -3.856 16.239) 20.518 11.823 ( 2.170 -5.013 9.784) 11.205 12.093 ( 6.477 -1.956 -6.776) 9.576 12.687 ( 6.503 8.527 -2.572) 11.028 12.942 ( 14.980 7.895 -2.598) 17.131 13.340 ( 6.704 -5.502 -19.893) 21.702 13.656 ( -2.631 11.026 -0.235) 11.338 14.118 ( 1.834 -4.680 -1.518) 5.250 14.520 ( -6.298 3.542 -3.010) 7.827 14.771 ( 2.846 0.637 1.575) 3.315 15.307 ( -6.009 -0.122 0.227) 6.015 15.591 ( 1.443 -1.909 -6.179) 6.627 15.880 ( -2.552 -10.538 2.350) 11.094 16.164 ( -1.786 -10.405 11.610) 15.692 16.878 ( -5.490 1.796 -6.808) 8.928 16.979 ( -5.365 8.468 5.493) 11.431 17.996 ( 7.421 -14.654 0.545) 16.435 18.431 ( -11.455 -1.578 -11.921) 16.608 18.902 ( -1.306 6.930 -0.497) 7.069 19.701 ( -2.563 -1.643 16.593) 16.870 20.752 ( -1.077 -0.907 3.531) 3.802 21.817 ( 8.058 9.845 -9.484) 15.868 ======================= Grid point 250 (126/172) ======================= q-point: ( 0.30 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 7.110 -8.623 7.103) 13.243 3.957 ( 3.497 7.207 6.993) 10.633 4.585 ( 8.393 -21.287 6.028) 23.663 4.809 ( -7.458 -3.875 -1.823) 8.600 5.328 ( 15.332 10.028 15.488) 23.989 5.916 ( -13.323 12.600 12.795) 22.360 6.870 ( -7.624 -0.697 1.759) 7.855 6.931 ( 2.421 1.458 -2.796) 3.975 7.125 ( 3.998 -7.773 -6.752) 11.046 8.399 ( -1.747 -2.648 -4.563) 5.557 8.664 ( -0.797 0.461 -10.191) 10.232 8.872 ( -0.056 -0.124 -16.499) 16.499 9.453 ( 4.521 -2.434 -12.573) 13.581 9.622 ( -0.587 -1.617 -5.137) 5.417 10.049 ( -2.394 -3.969 -7.949) 9.201 10.534 ( 5.974 -1.690 0.442) 6.224 10.898 ( -9.602 8.953 3.752) 13.654 11.321 ( 6.016 -0.704 -2.657) 6.614 11.563 ( 16.007 -6.494 15.226) 23.027 11.890 ( 0.081 -7.377 -8.908) 11.566 12.079 ( -14.100 -8.914 -4.059) 17.168 12.560 ( 0.082 18.822 -5.630) 19.646 12.851 ( -10.147 13.190 -5.823) 17.631 13.607 ( 6.365 -5.441 8.462) 11.905 13.885 ( -10.772 -6.417 0.836) 12.566 14.303 ( -0.671 21.615 0.136) 21.626 15.148 ( 0.090 -9.346 2.288) 9.622 15.409 ( 1.100 4.709 -0.692) 4.885 15.519 ( 1.535 0.363 4.487) 4.756 16.049 ( 5.789 -10.130 7.250) 13.736 16.350 ( -6.803 -3.207 2.535) 7.936 16.473 ( 3.074 7.232 2.196) 8.159 16.582 ( -2.968 4.093 3.387) 6.086 17.840 ( -0.076 -5.515 5.859) 8.046 18.045 ( -0.412 6.664 7.247) 9.854 20.056 ( 1.277 -14.985 -0.057) 15.039 20.272 ( 16.894 0.729 -10.265) 19.781 20.867 ( -13.097 9.018 -7.142) 17.432 21.530 ( 0.806 -2.889 -1.623) 3.410 ======================= Grid point 251 (127/172) ======================= q-point: ( 0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -8.899 -11.229 7.642) 16.239 4.198 ( 9.234 13.391 2.165) 16.410 4.629 ( -4.918 -19.749 5.398) 21.056 4.695 ( 9.340 -4.411 0.378) 10.336 5.759 ( 10.037 9.236 10.610) 17.280 5.964 ( -17.716 4.131 10.948) 21.231 6.738 ( -6.084 -1.520 -4.752) 7.868 6.958 ( 4.233 0.410 2.227) 4.801 7.056 ( 5.726 -6.756 -5.798) 10.585 8.287 ( -1.579 0.208 -4.395) 4.674 8.560 ( 2.252 5.784 -9.697) 11.513 8.636 ( 0.607 -2.315 -15.432) 15.617 9.196 ( -4.249 -4.446 -15.843) 16.995 9.523 ( -0.091 4.652 -12.450) 13.291 9.884 ( 0.846 -4.243 -8.617) 9.642 10.694 ( 9.654 -0.009 7.439) 12.188 10.901 ( -9.346 5.362 7.338) 13.036 11.293 ( -5.367 -4.979 -0.079) 7.321 11.662 ( 9.655 -6.631 -6.033) 13.175 11.791 ( -13.263 -11.509 0.096) 17.561 12.010 ( 8.171 -2.810 12.584) 15.265 12.630 ( -1.284 13.846 -1.628) 14.000 12.856 ( 1.460 21.972 -4.459) 22.467 13.706 ( 5.942 -3.293 -2.633) 7.286 13.789 ( -2.103 -2.968 3.644) 5.149 14.423 ( -2.255 20.183 -2.155) 20.422 15.106 ( 1.121 -11.146 2.255) 11.427 15.398 ( -1.796 3.058 -2.191) 4.169 15.577 ( -1.560 -0.643 1.060) 1.993 16.166 ( 3.849 -11.423 9.864) 15.575 16.350 ( -2.633 -0.981 7.851) 8.338 16.558 ( -0.192 3.336 3.135) 4.582 16.658 ( 1.216 2.985 4.310) 5.382 17.871 ( -0.862 -7.452 5.619) 9.373 18.219 ( 0.110 7.377 9.784) 12.254 19.910 ( -3.578 -7.929 -5.147) 10.107 20.210 ( 6.076 -4.237 -17.669) 19.159 20.771 ( -2.586 9.990 -2.399) 10.594 21.476 ( 0.228 -2.933 -2.544) 3.889 ======================= Grid point 253 (128/172) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( -14.261 -11.921 9.595) 20.918 4.345 ( -0.192 -0.063 -4.345) 4.349 4.488 ( -6.138 -2.265 4.333) 7.848 4.852 ( 16.199 -11.565 4.337) 20.371 5.825 ( -23.518 -3.579 5.815) 24.489 5.997 ( -0.043 11.435 2.966) 11.813 6.629 ( -0.353 -0.580 -1.134) 1.321 6.977 ( 4.466 -4.635 -8.204) 10.428 7.121 ( 10.119 -1.842 6.310) 12.066 8.264 ( 4.702 4.701 -4.445) 7.998 8.388 ( -3.197 -0.908 -14.743) 15.113 8.525 ( 4.683 7.337 -7.505) 11.492 8.910 ( -3.544 -0.595 -12.211) 12.729 9.331 ( -1.447 5.433 -16.619) 17.544 9.763 ( 3.875 -0.742 -9.656) 10.431 10.880 ( -7.770 3.992 11.318) 14.297 10.994 ( 0.952 -2.755 7.328) 7.887 11.221 ( -2.000 -2.056 8.404) 8.880 11.589 ( -13.710 -8.403 8.816) 18.339 11.729 ( 14.458 -3.250 -4.894) 15.606 12.175 ( 4.368 -5.077 3.374) 7.499 12.685 ( -1.356 6.536 0.539) 6.697 13.015 ( 7.379 20.560 -4.267) 22.257 13.668 ( 6.711 -0.107 -13.238) 14.843 13.870 ( 3.845 3.481 7.063) 8.762 14.489 ( -2.334 16.421 -3.059) 16.866 15.081 ( 2.180 -15.078 3.449) 15.620 15.342 ( -3.035 2.251 -3.629) 5.239 15.528 ( -4.088 0.860 -0.851) 4.264 16.239 ( -1.004 -13.582 9.787) 16.771 16.410 ( -4.093 -2.763 5.514) 7.403 16.678 ( 3.150 4.367 7.364) 9.123 16.766 ( 2.979 1.246 5.523) 6.397 17.869 ( -1.555 -10.157 5.159) 11.497 18.424 ( 1.556 5.207 9.933) 11.323 19.675 ( -4.529 -0.393 -17.397) 17.981 19.988 ( -6.410 -4.216 -4.385) 8.836 20.771 ( 1.398 6.472 -6.812) 9.500 21.459 ( 4.802 0.214 -2.158) 5.269 ======================= Grid point 254 (129/172) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -14.255 -15.601 12.732) 24.672 4.073 ( -18.482 -11.800 -5.532) 22.614 4.539 ( 1.158 -0.286 2.917) 3.151 5.035 ( 13.618 -10.809 4.254) 17.899 5.507 ( -22.113 -3.895 -3.304) 22.695 6.046 ( -7.116 13.138 -0.733) 14.959 6.655 ( -4.135 -0.233 3.806) 5.625 6.911 ( 10.763 -1.248 -7.996) 13.465 7.286 ( 8.545 -5.730 1.561) 10.406 8.145 ( -0.662 7.826 -12.768) 14.991 8.375 ( 7.233 0.029 3.232) 7.922 8.584 ( 9.142 9.956 -4.901) 14.378 8.747 ( -1.355 6.676 -9.980) 12.083 9.137 ( 1.445 5.468 -13.705) 14.826 9.699 ( 5.656 4.312 -9.159) 11.596 10.926 ( -14.635 1.785 12.398) 19.263 10.978 ( -8.460 -5.367 5.759) 11.557 11.447 ( 1.593 -2.103 14.731) 14.965 11.593 ( -1.289 -4.550 13.056) 13.886 11.835 ( 13.392 0.418 -3.168) 13.768 12.210 ( 4.746 -5.155 1.942) 7.271 12.683 ( 0.446 3.320 -4.820) 5.869 13.217 ( 11.577 12.629 -2.290) 17.285 13.503 ( 4.723 4.456 -19.505) 20.557 14.104 ( 4.911 6.559 9.163) 12.292 14.507 ( -1.942 13.314 -6.296) 14.855 14.978 ( -3.019 -16.638 -0.627) 16.921 15.325 ( 1.872 2.001 2.021) 3.405 15.483 ( -2.694 1.867 -1.376) 3.555 16.205 ( -4.418 -15.776 5.063) 17.147 16.375 ( -8.168 -6.518 5.750) 11.928 16.828 ( 1.487 5.030 4.043) 6.622 16.947 ( 5.326 2.478 8.476) 10.312 17.841 ( -0.581 -13.291 5.293) 14.318 18.586 ( 2.073 -0.285 5.262) 5.663 19.326 ( -5.537 1.019 -19.800) 20.585 19.868 ( -12.562 3.035 4.062) 13.547 20.729 ( 2.053 3.443 -5.181) 6.551 21.520 ( 8.539 4.393 -4.609) 10.652 ======================= Grid point 255 (130/172) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -9.571 -21.462 17.364) 29.219 3.586 ( -30.246 -14.502 -4.474) 33.840 4.585 ( 2.654 -3.418 2.841) 5.176 4.950 ( -17.410 -13.937 -3.361) 22.553 5.329 ( 8.154 -0.743 -3.767) 9.013 6.016 ( -10.869 15.658 -1.699) 19.136 6.578 ( -9.561 -0.584 0.845) 9.616 6.965 ( 9.867 -6.708 -5.343) 13.073 7.356 ( 10.276 4.266 -0.919) 11.164 8.110 ( 0.423 9.311 -5.438) 10.791 8.443 ( 9.596 -8.930 -5.101) 14.066 8.712 ( 5.895 15.503 -4.503) 17.186 8.834 ( 10.455 15.577 6.361) 19.809 9.079 ( 6.545 5.771 -7.709) 11.643 9.701 ( 5.851 8.871 -7.751) 13.154 10.872 ( -11.204 -6.299 3.627) 13.355 10.930 ( -12.335 -3.116 12.300) 17.697 11.606 ( -6.298 -4.549 16.105) 17.881 11.736 ( 4.066 -6.414 6.676) 10.111 11.970 ( 5.032 2.782 1.324) 5.901 12.384 ( 14.691 1.646 8.537) 17.071 12.638 ( 5.603 5.706 -9.613) 12.504 13.178 ( 6.584 -3.885 -22.356) 23.627 13.549 ( 9.508 16.959 1.183) 19.478 14.204 ( -6.544 -5.916 0.378) 8.830 14.512 ( 3.933 17.496 -5.754) 18.833 14.825 ( -4.220 -9.102 0.494) 10.045 15.412 ( -2.877 -1.108 0.291) 3.096 15.465 ( 6.417 0.707 2.226) 6.828 16.056 ( -8.258 -14.788 1.387) 16.994 16.295 ( -8.008 -10.246 7.195) 14.862 16.916 ( 0.685 3.306 1.022) 3.527 17.096 ( -0.749 4.568 3.072) 5.556 17.832 ( 3.365 -15.494 5.737) 16.861 18.580 ( -1.297 -6.484 -3.346) 7.411 19.040 ( -6.178 6.890 -12.296) 15.389 19.838 ( -9.360 2.709 8.910) 13.204 20.752 ( 1.566 4.580 0.893) 4.922 21.585 ( 9.653 6.783 -8.369) 14.465 ======================= Grid point 256 (131/172) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -2.675 -26.829 21.870) 34.717 3.023 ( -34.889 -15.467 1.724) 38.202 4.528 ( -12.930 -11.907 -10.544) 20.497 4.660 ( -0.722 2.780 5.287) 6.017 5.367 ( 6.910 -6.902 -2.447) 10.069 5.959 ( -12.109 15.451 -1.867) 19.719 6.480 ( -10.105 1.807 3.277) 10.776 6.896 ( 3.297 -7.532 -5.022) 9.634 7.613 ( 19.697 6.642 -0.558) 20.794 8.008 ( -3.798 5.624 -10.472) 12.478 8.516 ( 11.405 -1.161 3.010) 11.853 8.889 ( 10.696 15.448 -2.633) 18.973 9.087 ( 5.953 7.421 -4.314) 10.446 9.272 ( 13.404 13.434 9.720) 21.322 9.738 ( 4.465 10.147 -6.474) 12.837 10.732 ( -4.112 -10.194 0.499) 11.003 10.928 ( -12.700 -4.044 12.345) 18.167 11.628 ( -5.793 -7.033 3.176) 9.649 11.862 ( 0.149 -4.276 12.779) 13.477 12.023 ( -0.985 2.007 0.710) 2.346 12.621 ( 7.763 7.106 -6.745) 12.500 12.769 ( 11.501 6.492 -0.997) 13.244 12.919 ( 10.271 -2.632 -13.167) 16.905 13.793 ( 1.486 13.913 1.782) 14.105 13.997 ( -0.606 -9.101 -5.462) 10.632 14.600 ( -3.571 7.913 -2.071) 8.925 14.769 ( 1.131 0.096 1.434) 1.829 15.318 ( -2.034 -6.958 -2.393) 7.634 15.571 ( -3.208 3.275 0.712) 4.639 15.869 ( -4.341 -12.637 2.600) 13.612 16.260 ( -2.322 -9.992 7.719) 12.838 16.871 ( -6.097 -0.012 -5.377) 8.129 17.115 ( -2.376 4.927 -0.560) 5.499 17.824 ( 3.047 -16.151 1.930) 16.549 18.414 ( -8.036 -1.801 -6.208) 10.313 18.944 ( 0.712 8.184 -2.143) 8.490 19.930 ( -1.296 -3.652 12.860) 13.431 20.841 ( -1.251 6.282 4.971) 8.108 21.622 ( 9.718 7.765 -10.796) 16.471 ======================= Grid point 261 (132/172) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 16.048 0.789 10.677) 19.291 4.021 ( 5.113 -7.499 8.501) 12.436 4.370 ( 7.384 -19.236 0.633) 20.614 4.806 ( 0.756 -6.420 -1.599) 6.659 5.450 ( 10.125 10.004 13.201) 19.413 6.212 ( -5.300 11.182 -0.897) 12.407 6.790 ( 9.068 -0.487 -2.426) 9.399 6.961 ( -0.915 -10.365 -4.661) 11.402 7.107 ( -17.128 3.563 5.778) 18.424 8.371 ( -2.726 -2.780 -7.525) 8.473 8.486 ( 3.891 -1.129 -9.657) 10.472 8.689 ( -7.201 6.479 -13.965) 16.995 9.202 ( 4.254 1.301 -11.890) 12.695 9.548 ( -1.929 2.419 -8.019) 8.596 9.927 ( -4.024 -2.314 -11.165) 12.092 10.476 ( 6.474 -4.660 5.406) 9.635 11.101 ( 14.015 -1.366 -1.756) 14.190 11.160 ( -6.380 3.176 4.919) 8.659 11.384 ( 12.448 -8.164 7.214) 16.542 11.919 ( -6.791 0.678 2.792) 7.374 12.264 ( -17.337 -7.346 4.544) 19.370 12.617 ( 1.566 19.241 -4.674) 19.863 13.032 ( -12.539 11.746 -3.065) 17.452 13.639 ( -1.200 -3.174 5.829) 6.745 13.926 ( -8.048 -6.628 -5.475) 11.776 14.464 ( -1.080 20.526 -1.408) 20.603 15.109 ( -1.370 -9.681 0.723) 9.804 15.431 ( 1.045 5.116 1.299) 5.380 15.487 ( 7.067 -1.553 -0.310) 7.243 16.063 ( 3.445 -9.987 12.474) 16.346 16.429 ( -3.348 -4.230 2.959) 6.152 16.503 ( 5.121 4.732 3.029) 7.602 16.706 ( -5.159 2.337 2.469) 6.178 17.911 ( -1.784 -5.660 8.241) 10.155 18.213 ( 0.138 6.979 8.541) 11.031 19.868 ( 16.435 -3.623 -9.924) 19.537 19.925 ( 2.612 -7.796 -7.203) 10.931 20.910 ( -3.452 4.062 -7.484) 9.189 21.528 ( -5.502 0.950 -1.989) 5.927 ======================= Grid point 262 (133/172) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( -4.782 -4.359 11.417) 13.123 4.177 ( 9.483 5.286 2.275) 11.092 4.409 ( 14.630 -24.568 5.496) 29.118 4.697 ( -4.294 -1.583 -4.136) 6.168 5.814 ( 10.059 1.714 9.684) 14.068 6.197 ( -1.293 8.381 -4.188) 9.458 6.752 ( -4.290 -5.895 -6.102) 9.508 6.876 ( 3.099 1.491 -1.370) 3.702 7.026 ( -9.350 -4.559 7.906) 13.066 8.226 ( 2.033 -0.561 -8.080) 8.351 8.334 ( 2.168 -0.230 -15.103) 15.260 8.536 ( -4.972 10.374 -7.378) 13.667 9.039 ( -4.132 1.871 -10.571) 11.503 9.396 ( -3.097 7.548 -13.824) 16.051 9.720 ( -0.949 -1.653 -10.669) 10.838 10.681 ( 11.380 -3.334 10.566) 15.883 11.189 ( -9.187 3.128 10.345) 14.185 11.257 ( 14.563 -2.920 -0.141) 14.854 11.433 ( -2.124 -10.137 4.414) 11.258 11.889 ( -7.750 1.316 0.244) 7.865 12.167 ( -6.084 -5.767 10.128) 13.147 12.712 ( 0.126 9.218 -0.816) 9.255 12.998 ( -5.700 19.921 -2.034) 20.819 13.605 ( -2.503 -1.666 -5.226) 6.029 13.791 ( 1.434 -0.378 -2.349) 2.778 14.542 ( -1.598 17.552 -4.140) 18.104 15.039 ( 0.569 -12.075 1.850) 12.229 15.396 ( -1.564 0.610 -3.359) 3.755 15.591 ( 1.451 2.113 1.321) 2.884 16.213 ( 2.135 -12.375 13.268) 18.269 16.450 ( 0.451 -3.213 5.536) 6.417 16.619 ( 1.840 2.221 3.848) 4.808 16.724 ( 0.021 -0.405 4.192) 4.212 17.948 ( -4.210 -8.318 8.906) 12.893 18.383 ( 1.406 4.865 7.151) 8.762 19.680 ( 4.989 -2.186 -22.615) 23.262 19.970 ( 6.415 -1.855 2.348) 7.078 20.819 ( -3.982 7.868 -6.309) 10.843 21.419 ( -2.161 -1.965 -4.281) 5.183 ======================= Grid point 263 (134/172) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( -14.171 -8.416 9.015) 18.786 4.334 ( 0.809 5.313 0.120) 5.375 4.455 ( 6.976 -30.972 8.527) 32.873 4.646 ( 9.940 5.906 -5.992) 13.023 5.896 ( -6.579 -7.305 -1.342) 9.922 6.205 ( 3.332 7.547 -4.409) 9.354 6.633 ( -2.391 3.943 -0.252) 4.618 6.855 ( -3.224 -0.756 -1.631) 3.691 7.065 ( 4.213 -8.437 7.060) 11.780 8.149 ( -0.810 8.490 -13.723) 16.157 8.196 ( 8.930 -4.616 -5.264) 11.347 8.462 ( -1.738 9.766 -5.043) 11.128 8.878 ( -7.063 9.364 -7.245) 13.786 9.195 ( -4.682 9.840 -14.743) 18.333 9.582 ( 2.695 1.452 -9.419) 9.904 10.967 ( 10.812 -2.771 9.484) 14.647 11.275 ( -9.330 3.526 13.597) 16.863 11.394 ( -1.736 -0.985 9.873) 10.073 11.459 ( 10.693 -6.837 3.095) 13.064 11.774 ( -9.435 -2.405 1.644) 9.874 12.209 ( -2.100 -3.784 6.031) 7.423 12.712 ( -1.093 -0.431 -2.656) 2.904 13.063 ( -1.876 16.683 -2.691) 17.003 13.437 ( -0.440 4.279 -14.765) 15.379 13.901 ( 9.583 6.517 3.866) 12.217 14.569 ( -2.098 13.272 -4.837) 14.281 14.985 ( 1.082 -14.851 1.761) 14.995 15.329 ( -1.092 0.820 -3.074) 3.364 15.592 ( -4.582 2.132 0.150) 5.056 16.279 ( -1.063 -15.514 8.321) 17.637 16.505 ( -1.483 -5.386 6.389) 8.487 16.754 ( 4.646 4.039 5.706) 8.394 16.807 ( 3.304 -1.917 5.733) 6.889 17.937 ( -6.162 -11.133 8.573) 15.343 18.510 ( 3.478 -1.077 3.584) 5.109 19.379 ( 1.592 -0.355 -22.051) 22.111 20.099 ( -2.178 7.658 7.885) 11.205 20.702 ( -2.509 6.655 -10.918) 13.030 21.361 ( 3.515 -0.468 -3.539) 5.010 ======================= Grid point 265 (135/172) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -13.523 -14.441 7.852) 21.286 4.199 ( -17.416 -7.605 0.981) 19.029 4.470 ( 5.561 -12.852 2.999) 14.321 4.808 ( 18.709 -2.877 -1.610) 18.997 5.561 ( -17.410 -8.857 -11.147) 22.490 6.254 ( 1.108 9.158 -2.465) 9.549 6.659 ( 3.901 -3.261 -4.542) 6.818 6.807 ( -6.727 6.901 4.542) 10.654 7.147 ( 7.356 -9.366 2.538) 12.177 8.066 ( 1.595 9.420 -5.429) 10.988 8.205 ( 9.395 -5.170 -6.850) 12.725 8.567 ( 5.281 15.165 3.960) 16.539 8.762 ( -5.379 13.021 -8.138) 16.270 9.054 ( -3.180 13.131 -8.535) 15.980 9.543 ( 5.785 5.851 -7.177) 10.919 11.091 ( -3.787 -5.055 4.193) 7.581 11.329 ( -14.821 2.449 10.353) 18.244 11.565 ( 6.219 -8.835 2.630) 11.120 11.611 ( 8.778 2.050 10.948) 14.181 11.774 ( 1.782 0.726 10.386) 10.563 12.259 ( -0.753 -2.356 8.214) 8.578 12.612 ( -1.953 -2.279 -6.012) 6.719 13.037 ( 0.679 1.756 -12.591) 12.731 13.348 ( 5.334 17.411 -8.337) 20.027 14.169 ( 10.114 6.591 6.217) 13.579 14.518 ( -4.160 9.162 -8.941) 13.461 14.893 ( -1.004 -12.015 0.490) 12.067 15.333 ( 2.604 0.957 1.890) 3.357 15.521 ( -5.390 -0.710 -1.759) 5.714 16.219 ( -4.087 -15.667 4.943) 16.929 16.497 ( -6.424 -8.509 5.947) 12.208 16.872 ( 2.417 3.129 2.116) 4.484 16.983 ( 8.056 -0.120 6.120) 10.117 17.883 ( -6.623 -13.773 8.224) 17.355 18.539 ( 4.009 -7.539 -2.111) 8.796 19.126 ( -0.498 4.319 -14.731) 15.359 20.167 ( -14.877 9.301 4.786) 18.186 20.643 ( 7.007 8.220 -4.658) 11.763 21.372 ( 6.304 1.946 -5.346) 8.491 ======================= Grid point 266 (136/172) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -7.378 -22.528 9.978) 25.720 3.852 ( -28.578 -9.762 0.706) 30.208 4.498 ( 6.510 -9.072 1.526) 11.269 4.889 ( -1.121 -10.917 -7.187) 13.119 5.179 ( -0.937 -2.310 -6.763) 7.207 6.271 ( -6.802 12.343 -1.441) 14.166 6.550 ( 4.574 -10.979 -6.935) 13.768 6.866 ( -4.904 5.221 3.298) 7.886 7.244 ( 9.647 -0.498 3.102) 10.145 8.064 ( 1.115 -0.285 -9.790) 9.857 8.234 ( 8.215 7.562 1.482) 11.263 8.720 ( 1.770 14.740 -2.389) 15.037 8.927 ( 11.530 12.948 5.414) 18.164 9.047 ( -0.912 16.209 -0.576) 16.245 9.597 ( 6.614 10.328 -5.138) 13.298 10.924 ( -10.525 -8.246 -5.111) 14.314 11.289 ( -14.433 -2.478 10.364) 17.941 11.574 ( 6.445 -10.753 -1.758) 12.659 11.884 ( 2.500 -1.193 14.761) 15.019 12.038 ( 4.782 7.586 9.817) 13.296 12.416 ( 7.156 4.218 3.257) 8.923 12.520 ( -0.145 -0.958 3.427) 3.561 12.806 ( -0.348 1.336 -18.260) 18.313 13.528 ( 12.135 14.275 -1.313) 18.782 14.226 ( -9.365 -9.338 -3.268) 13.623 14.494 ( 7.849 18.135 -4.971) 20.377 14.829 ( -2.165 -5.351 1.747) 6.031 15.387 ( -3.024 -3.816 -4.004) 6.304 15.465 ( 5.186 -1.092 6.090) 8.073 16.103 ( -8.044 -13.342 4.066) 16.101 16.397 ( -8.104 -10.351 3.588) 13.627 16.929 ( 0.661 1.839 -0.346) 1.984 17.108 ( 4.516 0.739 -1.322) 4.763 17.820 ( -4.494 -15.561 8.086) 18.104 18.473 ( 2.263 -8.730 -1.994) 9.237 18.994 ( -1.907 8.732 -9.452) 13.009 20.062 ( -9.756 1.123 1.145) 9.887 20.823 ( 3.942 13.787 5.210) 15.257 21.380 ( 7.933 2.827 -8.491) 11.959 ======================= Grid point 267 (137/172) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 1.303 -29.221 14.474) 32.636 3.383 ( -32.403 -14.427 1.711) 35.511 4.362 ( -7.655 -11.309 -13.591) 19.267 4.713 ( 4.149 3.254 -0.392) 5.287 5.232 ( 6.717 -5.701 3.264) 9.395 6.217 ( -12.084 9.723 -0.135) 15.510 6.474 ( 9.519 -9.716 -4.992) 14.489 6.845 ( -6.883 4.920 0.492) 8.475 7.425 ( 10.639 -4.621 2.304) 11.826 7.940 ( 0.477 9.276 -8.052) 12.293 8.490 ( 9.590 9.458 7.696) 15.513 8.878 ( 6.577 13.836 1.150) 15.363 9.014 ( 2.809 8.799 -5.808) 10.911 9.403 ( 9.776 16.419 11.633) 22.371 9.689 ( 4.276 12.797 -4.300) 14.161 10.655 ( -4.590 -10.567 -6.775) 13.366 11.194 ( -11.769 -6.504 3.661) 13.936 11.506 ( 2.274 -12.148 -4.298) 13.085 12.087 ( -0.135 0.022 8.715) 8.716 12.165 ( -8.209 6.438 6.505) 12.294 12.395 ( 0.919 0.697 -11.900) 11.955 12.642 ( 6.654 8.122 -6.732) 12.473 12.855 ( 10.952 4.937 17.371) 21.120 13.751 ( 12.816 3.594 -2.712) 13.584 13.965 ( -9.911 1.196 -4.628) 11.004 14.637 ( 2.432 7.271 -1.839) 7.885 14.792 ( -1.791 -1.061 1.609) 2.631 15.246 ( -2.513 -8.359 -2.626) 9.115 15.643 ( 5.528 3.458 5.674) 8.643 15.922 ( -13.272 -12.302 2.811) 18.313 16.286 ( -2.532 -9.962 1.653) 10.411 16.871 ( -5.191 -0.447 -4.959) 7.193 17.092 ( 1.965 2.030 -6.147) 6.765 17.770 ( -3.074 -16.079 7.582) 18.041 18.422 ( -3.633 -2.826 -0.764) 4.666 18.941 ( 2.146 9.032 -4.421) 10.282 20.020 ( 0.536 -6.976 4.032) 8.075 21.036 ( -2.618 13.672 8.280) 16.197 21.378 ( 10.356 3.892 -10.888) 15.522 ======================= Grid point 273 (138/172) ======================= q-point: ( 0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 22.075 8.413 17.897) 29.637 3.852 ( 18.173 -28.187 6.160) 34.099 4.257 ( -2.037 -1.960 -2.147) 3.550 4.614 ( 12.464 -16.077 -0.475) 20.348 5.569 ( 4.714 7.076 6.074) 10.449 6.205 ( 0.150 7.614 -11.006) 13.384 6.682 ( 5.050 -2.497 -2.545) 6.181 6.887 ( -4.151 -5.258 1.826) 6.943 7.469 ( -17.763 7.258 5.842) 20.058 8.042 ( 7.063 -10.374 -16.178) 20.475 8.457 ( -7.369 6.323 -7.087) 12.021 8.740 ( -10.803 10.948 -6.123) 16.554 9.042 ( 2.582 4.543 -7.524) 9.161 9.488 ( -3.931 6.857 -9.098) 12.052 9.810 ( -5.610 0.002 -11.601) 12.886 10.439 ( 7.492 -8.148 7.677) 13.471 10.899 ( 10.844 -4.560 4.070) 12.448 11.246 ( 9.319 -5.927 11.767) 16.138 11.479 ( -4.391 1.095 10.330) 11.278 12.083 ( -9.842 3.320 2.409) 10.663 12.471 ( -14.662 -0.046 -0.797) 14.683 12.664 ( 2.875 14.767 -1.952) 15.171 13.227 ( -11.047 9.690 -1.832) 14.808 13.722 ( -4.604 -4.661 -0.834) 6.604 13.881 ( -8.849 -2.750 -5.657) 10.857 14.572 ( -1.201 16.843 -4.877) 17.577 15.046 ( -0.162 -10.377 -1.487) 10.484 15.354 ( 8.576 -1.662 -0.672) 8.761 15.507 ( -0.508 6.122 3.938) 7.297 16.133 ( 5.384 -9.149 12.989) 16.775 16.435 ( 2.399 -0.937 -1.219) 2.849 16.525 ( 2.913 -1.951 7.187) 7.996 16.797 ( -5.231 -2.075 0.464) 5.647 18.045 ( -2.284 -2.059 10.332) 10.780 18.373 ( -1.329 2.461 7.170) 7.696 19.435 ( 12.259 -5.468 -18.085) 22.523 19.775 ( 8.876 -0.941 -0.348) 8.932 20.850 ( 2.095 2.458 -3.502) 4.764 21.591 ( -10.661 1.738 -6.018) 12.365 ======================= Grid point 274 (139/172) ======================= q-point: ( 0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( -1.040 -0.463 14.956) 14.999 3.966 ( 20.748 -21.797 3.593) 30.307 4.258 ( 5.590 4.754 -0.452) 7.352 4.574 ( 4.485 -14.365 -3.101) 15.365 5.756 ( 11.732 -2.144 -0.048) 11.926 6.140 ( 0.606 7.974 -6.373) 10.226 6.628 ( 3.239 -8.675 -3.071) 9.756 6.861 ( -1.425 0.458 0.051) 1.498 7.348 ( -19.309 3.467 6.170) 20.565 7.914 ( 11.700 -6.595 -10.706) 17.175 8.290 ( -9.271 11.713 -7.900) 16.898 8.595 ( -8.224 10.246 -7.877) 15.318 9.008 ( -1.348 6.329 -4.709) 8.003 9.339 ( -6.653 10.386 -10.383) 16.123 9.595 ( -3.931 2.428 -10.505) 11.476 10.635 ( 12.476 -7.164 9.084) 17.014 11.082 ( 10.774 -4.491 6.317) 13.272 11.435 ( 0.241 -3.523 13.852) 14.295 11.575 ( -5.324 -4.464 12.990) 14.731 12.021 ( -9.207 4.412 -0.759) 10.237 12.328 ( -9.258 1.594 1.383) 9.496 12.709 ( 0.896 4.807 -5.814) 7.597 13.213 ( -6.493 17.598 -0.472) 18.764 13.595 ( -9.373 -4.852 -3.372) 11.079 13.704 ( 1.895 3.506 -6.242) 7.406 14.598 ( -0.209 13.628 -5.559) 14.720 14.967 ( 0.412 -11.536 0.928) 11.580 15.341 ( 0.917 -1.651 -3.523) 3.997 15.635 ( 1.314 5.629 2.683) 6.372 16.286 ( 0.573 -14.419 11.817) 18.652 16.436 ( 5.090 -5.562 1.322) 7.654 16.668 ( 3.075 1.841 6.015) 7.002 16.770 ( -0.541 -3.031 3.848) 4.928 18.113 ( -6.627 -7.396 11.600) 15.271 18.437 ( 1.554 -2.293 1.042) 2.959 19.242 ( 8.786 -1.473 -21.368) 23.151 19.967 ( 9.788 7.565 6.069) 13.779 20.832 ( -3.881 6.873 -4.558) 9.115 21.377 ( -5.830 -1.560 -6.887) 9.158 ======================= Grid point 275 (140/172) ======================= q-point: ( 0.50 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( -12.427 -13.594 3.413) 18.732 4.191 ( 20.846 -17.179 8.765) 28.399 4.371 ( 8.656 1.028 -5.656) 10.391 4.483 ( -3.131 -4.670 1.640) 5.857 5.847 ( 12.451 -6.273 -3.438) 14.359 6.015 ( -7.477 -0.188 -11.049) 13.343 6.654 ( 4.848 -0.103 1.499) 5.076 6.844 ( 2.859 -1.804 -0.668) 3.445 7.236 ( -15.418 2.807 5.747) 16.692 7.901 ( 10.940 -5.788 -5.338) 13.479 8.189 ( -8.213 15.399 -4.595) 18.047 8.521 ( -1.518 12.085 -2.533) 12.441 8.935 ( -5.917 9.078 -7.630) 13.253 9.199 ( -7.880 14.491 -7.587) 18.157 9.460 ( -0.172 4.970 -7.739) 9.199 10.885 ( 15.117 -5.606 6.664) 17.446 11.264 ( 8.242 -4.361 5.382) 10.766 11.648 ( -2.056 -3.304 16.258) 16.717 11.686 ( -5.357 -0.973 19.886) 20.618 11.853 ( -11.311 -0.356 -5.501) 12.583 12.281 ( -2.840 2.635 -0.230) 3.881 12.617 ( 0.574 0.328 -9.251) 9.275 13.250 ( -0.694 17.339 -6.196) 18.426 13.314 ( -16.116 -2.261 -5.000) 17.025 13.851 ( 12.922 8.536 2.520) 15.690 14.594 ( -1.342 8.284 -5.683) 10.136 14.899 ( 0.023 -10.846 0.717) 10.870 15.304 ( 0.507 -0.479 -0.832) 1.085 15.658 ( -3.924 2.383 -1.475) 4.822 16.261 ( -0.066 -17.836 4.343) 18.357 16.538 ( 4.918 -6.411 6.191) 10.179 16.804 ( 3.539 -1.488 6.947) 7.937 16.825 ( 1.134 0.758 3.464) 3.723 18.106 ( -9.766 -11.276 11.478) 18.822 18.410 ( 5.293 -8.702 -4.634) 11.190 19.066 ( 5.140 4.382 -15.683) 17.076 20.278 ( 10.521 13.570 7.485) 18.731 20.666 ( -13.126 6.771 -9.740) 17.692 21.274 ( 1.563 -0.543 -3.097) 3.512 ======================= Grid point 276 (141/172) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -10.314 -21.395 0.509) 23.757 4.327 ( 9.869 -7.523 -8.985) 15.321 4.399 ( -9.174 -10.055 6.349) 15.018 4.492 ( 14.022 -3.543 5.418) 15.444 5.588 ( -20.868 -7.339 -9.378) 24.026 5.988 ( 20.160 -3.117 -8.794) 22.215 6.608 ( -3.250 -4.949 -4.908) 7.691 6.981 ( 7.635 4.714 5.483) 10.515 7.163 ( -11.955 3.406 5.098) 13.436 7.930 ( 7.898 -3.990 -3.512) 9.520 8.193 ( -5.011 16.239 1.822) 17.092 8.679 ( 7.344 15.095 3.512) 17.151 8.805 ( -6.626 10.934 -6.182) 14.201 9.138 ( -5.662 17.439 -5.567) 19.161 9.451 ( 3.522 7.988 -3.180) 9.291 11.069 ( 6.588 -5.699 0.393) 8.720 11.326 ( 5.151 -7.004 -3.691) 9.445 11.650 ( -9.480 -2.886 2.664) 10.262 11.787 ( -2.287 -5.637 14.951) 16.141 11.990 ( -0.564 5.221 17.673) 18.437 12.292 ( 3.873 4.103 -1.303) 5.791 12.507 ( 1.459 1.450 -6.855) 7.157 13.036 ( -12.322 0.917 -5.724) 13.618 13.313 ( 1.333 14.746 -2.416) 15.002 14.135 ( 13.285 6.231 3.973) 15.202 14.492 ( -5.120 3.862 -8.939) 11.002 14.849 ( 0.076 -5.890 1.274) 6.027 15.337 ( 2.558 0.161 2.813) 3.806 15.545 ( -6.462 -3.443 -3.324) 8.042 16.194 ( 0.335 -15.530 3.243) 15.869 16.581 ( -2.986 -8.416 4.884) 10.179 16.883 ( 3.081 -2.686 1.997) 4.549 16.933 ( 5.005 1.590 1.728) 5.528 18.039 ( -11.368 -13.702 11.011) 20.934 18.343 ( 7.471 -10.298 -4.735) 13.575 18.984 ( 2.564 7.736 -9.537) 12.545 20.366 ( -9.401 2.939 -13.603) 16.795 20.633 ( 6.465 17.083 8.933) 20.333 21.269 ( 1.468 1.282 -1.883) 2.710 ======================= Grid point 277 (142/172) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -4.104 -28.624 3.866) 29.174 4.126 ( -22.721 -11.274 -2.056) 25.447 4.286 ( 12.048 -5.950 -10.700) 17.176 4.672 ( 5.977 -10.403 -0.764) 12.022 5.214 ( -13.167 -1.003 1.377) 13.277 6.078 ( 17.847 -5.933 -7.860) 20.384 6.450 ( -3.445 -5.993 -3.526) 7.761 7.105 ( -13.458 11.423 2.599) 17.842 7.192 ( 8.586 -3.462 5.895) 10.975 7.926 ( 1.554 4.389 -4.082) 6.192 8.353 ( 0.121 15.715 7.615) 17.463 8.782 ( 1.650 8.626 0.283) 8.787 8.936 ( 3.820 16.720 -3.464) 17.497 9.215 ( 3.683 17.700 5.509) 18.900 9.554 ( 4.848 11.251 -0.670) 12.270 10.870 ( -9.607 -9.322 -11.176) 17.438 11.287 ( 6.924 -7.160 -7.234) 12.310 11.580 ( -9.185 -12.604 6.271) 16.809 11.976 ( 8.087 1.508 8.602) 11.903 12.169 ( 2.834 4.811 1.337) 5.741 12.408 ( 0.259 8.724 0.333) 8.734 12.513 ( 2.215 6.073 2.529) 6.942 12.905 ( -11.462 2.537 10.151) 15.519 13.440 ( 9.125 9.806 -2.150) 13.567 14.216 ( -6.993 -8.826 -3.152) 11.693 14.439 ( 9.106 15.977 -4.283) 18.882 14.842 ( -0.249 -3.561 1.925) 4.056 15.345 ( -4.651 -4.888 -4.029) 7.859 15.482 ( 4.180 -1.862 6.507) 7.955 16.130 ( -1.481 -12.791 3.098) 13.244 16.478 ( -10.186 -8.695 1.484) 13.475 16.898 ( 2.916 -4.771 -2.478) 6.116 16.986 ( 4.502 2.717 -4.776) 7.103 17.951 ( -10.861 -14.752 11.205) 21.473 18.350 ( 7.620 -8.465 2.468) 11.654 18.939 ( 0.333 9.444 -8.730) 12.865 20.099 ( -5.970 -0.650 -9.750) 11.451 20.945 ( 9.823 15.057 2.293) 18.124 21.267 ( -2.619 2.712 1.157) 3.944 ======================= Grid point 278 (143/172) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 3.555 -33.325 8.720) 34.630 3.620 ( -27.816 -23.449 -4.303) 36.634 4.148 ( 3.854 -7.234 -16.739) 18.638 4.558 ( 5.499 -0.078 -8.152) 9.833 5.301 ( -1.164 0.156 13.678) 13.728 6.139 ( 14.958 -8.308 -4.617) 17.722 6.353 ( -3.963 -1.839 0.346) 4.383 7.037 ( -11.479 9.632 0.640) 14.998 7.316 ( 6.793 -9.901 4.215) 12.725 7.976 ( -0.801 16.634 0.150) 16.654 8.622 ( 4.258 14.074 10.033) 17.801 8.936 ( 4.441 12.520 2.617) 13.539 8.962 ( 1.979 9.170 -6.393) 11.352 9.570 ( 8.733 16.628 9.313) 20.964 9.695 ( 3.694 13.101 -0.292) 13.615 10.517 ( -6.706 -10.828 -10.818) 16.711 11.144 ( -0.349 -6.362 -10.950) 12.669 11.392 ( -5.668 -16.097 -2.898) 17.311 12.054 ( -2.588 -0.328 -12.330) 12.603 12.291 ( 7.691 11.145 2.264) 13.729 12.421 ( -3.395 0.646 7.537) 8.291 12.704 ( -1.283 13.170 7.744) 15.332 13.085 ( -0.082 4.055 18.975) 19.404 13.566 ( 8.858 0.071 -4.173) 9.792 14.039 ( -5.998 4.783 -2.445) 8.052 14.603 ( 6.310 3.831 -0.091) 7.383 14.831 ( -1.492 -0.866 1.220) 2.113 15.194 ( -3.397 -8.117 -1.360) 8.903 15.659 ( 6.990 2.432 5.942) 9.491 16.051 ( -6.807 -11.030 4.668) 13.776 16.264 ( -10.073 -7.530 -3.486) 13.051 16.804 ( 0.847 -5.057 -7.693) 9.246 16.966 ( 2.482 3.526 -7.123) 8.327 17.883 ( -9.075 -14.866 12.340) 21.346 18.437 ( 1.162 -4.054 3.941) 5.772 18.896 ( 2.866 9.203 -6.415) 11.578 19.940 ( 2.151 -6.542 -5.302) 8.691 21.105 ( 11.417 3.079 -9.209) 14.988 21.338 ( -6.145 12.188 10.280) 17.088 ======================= Grid point 283 (144/172) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 25.541 9.050 19.762) 33.538 3.417 ( 25.232 -18.240 1.567) 31.174 4.054 ( 19.008 -23.220 0.018) 30.008 4.463 ( -2.783 -9.738 4.259) 10.987 5.580 ( 2.276 1.076 -2.003) 3.217 6.088 ( 2.084 8.552 -10.694) 13.850 6.524 ( 5.348 -4.528 -5.015) 8.617 7.030 ( -12.022 -1.211 4.383) 12.853 7.550 ( 11.587 2.072 -12.142) 16.911 7.918 ( -19.916 -1.139 0.876) 19.968 8.566 ( -10.472 8.569 -0.096) 13.531 8.868 ( -12.310 10.416 -8.691) 18.318 8.978 ( 0.131 6.262 -4.543) 7.738 9.514 ( -6.536 12.348 -5.938) 15.181 9.757 ( -7.852 3.358 -8.755) 12.230 10.392 ( 6.732 -10.642 8.529) 15.209 10.869 ( 6.913 -3.538 9.874) 12.562 11.260 ( 11.036 -7.782 14.524) 19.832 11.682 ( -2.212 -1.823 12.256) 12.587 12.247 ( -8.587 6.222 -2.179) 10.826 12.596 ( -5.100 8.915 -5.177) 11.501 12.743 ( -9.389 6.947 -1.538) 11.780 13.380 ( -5.904 4.305 -0.402) 7.318 13.611 ( -2.680 -2.290 -12.352) 12.845 13.999 ( -12.004 -2.711 1.810) 12.439 14.597 ( -0.484 13.037 -8.170) 15.393 14.918 ( 5.242 -6.129 -1.831) 8.270 15.254 ( 4.194 -4.416 0.673) 6.127 15.628 ( -2.154 6.491 2.864) 7.415 16.128 ( 10.067 -5.964 6.527) 13.399 16.356 ( 5.878 -1.915 1.239) 6.305 16.600 ( -0.747 -6.862 8.199) 10.718 16.828 ( -3.390 -3.372 0.158) 4.784 18.196 ( 0.379 0.882 5.899) 5.977 18.480 ( -4.307 -4.829 4.423) 7.837 18.985 ( 10.050 -3.676 -17.833) 20.797 19.695 ( 10.817 3.459 6.045) 12.866 20.824 ( 3.522 3.953 1.925) 5.634 21.636 ( -12.837 0.553 -9.437) 15.942 ======================= Grid point 284 (145/172) ======================= q-point: ( 0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( 25.628 -18.700 -3.896) 31.963 3.820 ( 2.522 -6.812 9.662) 12.088 4.097 ( 14.032 -9.314 3.494) 17.200 4.473 ( 2.060 -5.001 6.959) 8.814 5.529 ( 6.126 -2.185 -10.834) 12.636 6.142 ( 4.426 9.095 0.729) 10.141 6.469 ( 4.428 -8.331 -2.951) 9.886 6.919 ( -8.389 -1.857 -0.058) 8.593 7.544 ( 6.835 4.499 -9.782) 12.754 7.728 ( -12.188 -0.759 3.887) 12.815 8.487 ( -13.596 14.518 -1.431) 19.942 8.663 ( -10.162 9.240 -6.215) 15.075 8.986 ( 1.486 6.272 -4.700) 7.977 9.429 ( -9.523 14.610 -5.476) 18.280 9.571 ( -7.937 6.198 -7.061) 12.299 10.552 ( 9.929 -9.644 8.953) 16.485 11.080 ( 6.319 -3.929 10.942) 13.232 11.510 ( 9.496 -10.148 11.761) 18.206 11.826 ( -4.034 -3.732 16.125) 17.036 12.153 ( -9.653 7.213 -2.947) 12.406 12.468 ( -9.626 4.117 -4.465) 11.382 12.636 ( -3.840 6.350 -8.852) 11.551 13.265 ( -3.186 6.661 -13.684) 15.549 13.578 ( 8.046 5.589 -0.123) 9.797 13.809 ( -18.346 -1.559 4.104) 18.864 14.593 ( 1.010 10.540 -5.892) 12.117 14.890 ( 1.183 -7.295 -0.330) 7.397 15.270 ( 2.818 -3.309 -0.381) 4.363 15.681 ( 0.870 5.814 -1.161) 5.992 16.277 ( 3.259 -13.076 -3.728) 13.982 16.312 ( 6.075 -10.809 8.321) 14.933 16.747 ( 3.461 -0.784 9.026) 9.698 16.828 ( -1.688 0.399 4.962) 5.257 18.208 ( 4.046 -9.436 -3.128) 10.733 18.417 ( -7.251 -9.277 5.233) 12.885 18.888 ( 7.698 6.487 -12.419) 15.987 19.968 ( 11.768 6.696 5.444) 14.593 20.924 ( -3.329 9.987 2.644) 10.854 21.343 ( -8.945 -1.564 -9.010) 12.792 ======================= Grid point 285 (146/172) ======================= q-point: ( 0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 0.332 -24.691 -2.206) 24.792 3.757 ( 21.294 -10.872 -15.028) 28.239 4.289 ( 4.151 -14.416 15.669) 21.693 4.607 ( -1.360 5.489 5.680) 8.015 5.493 ( 15.766 -1.796 -9.741) 18.619 6.077 ( -15.622 -3.811 -3.531) 16.463 6.572 ( 11.160 0.520 2.158) 11.378 6.807 ( -2.338 -4.440 0.259) 5.025 7.476 ( -6.305 12.308 -5.685) 14.952 7.748 ( 2.599 -5.653 7.390) 9.660 8.409 ( -8.904 16.607 -2.769) 19.046 8.617 ( -5.505 14.205 0.658) 15.248 8.947 ( -2.844 5.975 -4.986) 8.286 9.322 ( -8.702 17.405 -9.392) 21.608 9.479 ( -6.044 7.776 0.155) 9.850 10.745 ( 12.396 -7.797 6.320) 15.950 11.250 ( 3.370 -5.935 5.975) 9.071 11.669 ( 8.850 -11.847 2.954) 15.080 11.967 ( -8.187 -3.736 11.154) 14.331 12.067 ( -7.037 6.752 9.180) 13.393 12.325 ( -5.641 2.128 -4.995) 7.829 12.513 ( -2.604 7.472 -6.996) 10.562 13.074 ( 2.230 7.435 -17.743) 19.366 13.627 ( -13.700 9.340 1.219) 16.625 13.824 ( 6.475 1.486 9.482) 11.578 14.576 ( -1.678 6.373 -5.339) 8.482 14.844 ( 0.304 -5.859 -0.179) 5.869 15.287 ( 2.091 -2.389 1.936) 3.718 15.673 ( -2.163 2.694 -4.339) 5.546 16.134 ( 2.896 -18.737 -0.617) 18.969 16.452 ( 9.953 -6.814 2.308) 12.281 16.824 ( -0.097 -6.296 4.973) 8.024 16.943 ( -1.591 3.924 7.516) 8.627 18.118 ( 9.423 -12.052 -8.086) 17.304 18.336 ( -10.228 -10.928 9.168) 17.552 18.887 ( 4.056 9.340 -7.174) 12.456 20.197 ( 12.474 5.082 -3.544) 13.928 20.872 ( -15.667 11.562 -2.379) 19.616 21.245 ( 1.181 2.054 2.100) 3.166 ======================= Grid point 286 (147/172) ======================= q-point: (-0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -6.882 -30.306 -2.167) 31.153 3.730 ( 26.394 -10.328 -22.534) 36.209 4.483 ( 3.000 -17.047 17.342) 24.502 4.611 ( -8.110 3.150 0.276) 8.705 5.590 ( 18.500 -2.394 -6.695) 19.819 5.726 ( -22.043 -5.125 -3.155) 22.850 6.526 ( -4.111 -7.363 -4.925) 9.766 6.944 ( 10.777 -1.205 6.328) 12.556 7.445 ( -9.798 18.055 -0.795) 20.558 7.852 ( 2.393 -3.519 6.794) 8.017 8.462 ( -4.705 17.681 4.006) 18.729 8.694 ( 1.602 11.453 -1.902) 11.720 8.931 ( -2.876 11.734 1.775) 12.211 9.223 ( -3.999 17.938 -9.260) 20.580 9.522 ( -3.077 9.769 4.102) 11.033 10.903 ( 10.499 -7.321 0.298) 12.803 11.150 ( -1.996 -11.091 -9.867) 14.978 11.704 ( 1.749 -6.122 3.734) 7.381 11.946 ( -5.433 -6.246 4.752) 9.545 12.099 ( 1.396 1.257 -8.674) 8.875 12.395 ( 0.254 9.742 12.003) 15.461 12.535 ( -3.283 7.638 8.004) 11.540 12.969 ( 5.801 9.801 -9.819) 15.037 13.547 ( -14.870 7.644 4.143) 17.226 14.062 ( 11.445 0.316 4.898) 12.453 14.481 ( -6.631 5.216 -5.539) 10.093 14.820 ( 1.431 -3.604 0.165) 3.881 15.347 ( 2.764 -1.368 3.235) 4.470 15.548 ( -6.070 -3.733 -2.970) 7.720 16.071 ( 5.470 -13.722 -0.020) 14.772 16.512 ( 8.138 -7.186 -3.097) 11.290 16.833 ( -0.106 -8.325 3.681) 9.104 17.001 ( -4.915 3.064 2.479) 6.300 18.088 ( 11.740 -8.590 -3.397) 14.938 18.261 ( -11.254 -12.914 11.647) 20.714 18.900 ( 1.815 8.726 -5.813) 10.642 20.180 ( 2.876 1.709 -15.330) 15.691 20.801 ( -2.529 8.114 -0.081) 8.499 21.358 ( -3.012 8.338 8.075) 11.992 ======================= Grid point 287 (148/172) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -2.215 -35.402 3.030) 35.600 3.629 ( 26.434 -11.990 -25.972) 38.949 4.283 ( -19.445 -20.011 -5.215) 28.386 4.637 ( -3.195 -4.446 2.458) 6.001 5.476 ( -13.515 2.639 6.130) 15.073 5.741 ( 15.591 -3.830 0.349) 16.059 6.370 ( -0.616 -9.253 -1.674) 9.423 7.122 ( 8.498 -6.185 4.993) 11.636 7.404 ( -15.509 16.314 -1.636) 22.569 7.982 ( 1.335 9.126 6.060) 11.035 8.633 ( -3.782 17.455 8.442) 19.755 8.778 ( 5.944 3.888 0.658) 7.133 9.002 ( -3.703 19.681 -6.014) 20.909 9.325 ( 8.404 15.413 3.800) 17.962 9.646 ( -0.577 11.197 5.179) 12.350 10.724 ( -7.287 -10.884 -12.809) 18.320 11.028 ( 8.428 -7.857 -6.713) 13.335 11.569 ( -6.275 -14.567 -7.445) 17.521 12.016 ( 8.281 5.186 6.096) 11.516 12.044 ( 3.366 0.517 -8.435) 9.096 12.517 ( -4.425 6.504 4.053) 8.850 12.743 ( -1.919 14.412 9.229) 17.221 13.152 ( 6.190 8.312 12.936) 16.575 13.475 ( -9.054 4.011 1.102) 9.963 14.180 ( 0.813 -6.674 0.250) 6.728 14.417 ( 0.936 10.631 -1.475) 10.773 14.824 ( 2.144 -3.090 0.287) 3.772 15.318 ( -4.852 -5.088 -2.950) 7.624 15.527 ( 2.622 -0.804 6.923) 7.447 16.042 ( 3.992 -10.630 -0.345) 11.360 16.465 ( 4.198 -7.032 -6.842) 10.672 16.783 ( -4.688 -9.250 1.392) 10.463 16.955 ( -2.904 3.466 -3.937) 5.996 18.138 ( -2.556 -6.935 4.782) 8.803 18.257 ( 3.418 -12.717 12.627) 18.244 18.883 ( -0.058 8.230 -6.962) 10.780 19.949 ( -1.272 -0.512 -15.762) 15.822 20.851 ( 6.744 2.398 -4.149) 8.273 21.506 ( -6.451 11.540 10.577) 16.932 ======================= Grid point 288 (149/172) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 3.090 -38.563 8.252) 39.557 3.469 ( 19.474 -16.457 -25.004) 35.711 3.677 ( -16.339 -29.873 -14.346) 36.948 4.513 ( -7.487 0.076 -3.313) 8.187 5.512 ( -2.339 1.045 6.126) 6.640 5.963 ( 8.975 -0.100 9.552) 13.107 6.350 ( 2.785 -6.765 4.253) 8.463 7.211 ( 1.275 -5.125 2.432) 5.814 7.294 ( -9.194 7.446 1.470) 11.922 8.166 ( -2.282 18.242 4.263) 18.872 8.788 ( 0.465 11.067 -1.889) 11.236 8.948 ( 6.673 8.001 7.357) 12.754 9.049 ( -2.034 18.035 0.784) 18.167 9.640 ( 11.454 13.788 4.034) 18.373 9.808 ( 0.722 11.623 5.188) 12.749 10.374 ( -7.919 -9.988 -10.586) 16.569 10.917 ( 2.462 -6.903 -10.724) 12.989 11.248 ( -4.606 -14.055 -10.914) 18.381 11.873 ( -1.803 -1.328 -14.937) 15.104 12.314 ( 9.772 8.331 7.539) 14.890 12.589 ( -2.081 3.763 7.468) 8.618 12.930 ( -1.465 15.548 4.041) 16.131 13.408 ( -4.745 2.010 4.480) 6.828 13.468 ( 0.264 3.444 10.353) 10.914 14.115 ( -3.452 2.851 0.264) 4.486 14.552 ( 7.177 -0.514 4.014) 8.239 14.835 ( 2.095 -0.378 0.028) 2.129 15.177 ( -5.160 -6.506 -0.746) 8.337 15.692 ( 4.862 4.495 5.334) 8.503 16.005 ( 2.960 -9.436 -0.797) 9.921 16.321 ( -5.267 -6.162 -5.331) 9.702 16.628 ( -4.254 -6.316 -4.539) 8.865 16.889 ( -0.249 2.200 -5.274) 5.720 18.095 ( -9.601 -9.708 10.397) 17.161 18.445 ( 5.848 -5.940 8.707) 12.054 18.831 ( 1.140 6.703 -6.183) 9.190 19.733 ( 3.249 -5.234 -12.058) 13.541 20.867 ( 7.781 -1.940 -6.495) 10.320 21.664 ( -6.481 12.331 10.368) 17.366 ======================= Grid point 344 (150/172) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 0.000 -0.000 6.035) 6.035 3.632 ( 0.000 -0.000 6.035) 6.035 4.707 ( -0.000 0.000 -4.951) 4.951 5.172 ( 0.000 -0.000 10.400) 10.400 5.172 ( 0.000 -0.000 10.400) 10.400 5.668 ( 0.000 -0.000 25.361) 25.361 6.875 ( -0.000 0.000 -2.524) 2.524 6.875 ( -0.000 0.000 -2.524) 2.524 7.240 ( -0.000 0.000 -5.147) 5.147 8.514 ( -0.000 0.000 -11.420) 11.420 8.514 ( -0.000 0.000 -11.420) 11.420 8.915 ( -0.000 0.000 -13.652) 13.652 9.573 ( -0.000 0.000 -12.265) 12.265 9.573 ( -0.000 0.000 -12.265) 12.265 10.104 ( -0.000 0.000 -7.947) 7.947 10.653 ( 0.000 -0.000 3.666) 3.666 10.653 ( 0.000 -0.000 3.666) 3.666 11.359 ( 0.000 -0.000 3.499) 3.499 11.784 ( 0.000 -0.000 25.584) 25.584 12.070 ( -0.000 0.000 -11.860) 11.860 12.070 ( -0.000 0.000 -11.860) 11.860 12.433 ( -0.000 0.000 -8.379) 8.379 12.433 ( -0.000 0.000 -8.379) 8.379 13.834 ( 0.000 -0.000 15.905) 15.905 13.909 ( -0.000 0.000 -2.806) 2.806 13.909 ( -0.000 0.000 -2.806) 2.806 15.312 ( -0.000 0.000 -0.771) 0.771 15.312 ( 0.000 -0.000 -0.771) 0.771 15.514 ( 0.000 -0.000 8.422) 8.422 16.296 ( 0.000 -0.000 5.747) 5.747 16.296 ( 0.000 -0.000 5.747) 5.747 16.355 ( 0.000 -0.000 1.417) 1.417 16.525 ( 0.000 -0.000 5.482) 5.482 17.935 ( 0.000 -0.000 6.448) 6.448 17.935 ( 0.000 -0.000 6.448) 6.448 20.413 ( -0.000 0.000 -19.182) 19.182 20.431 ( 0.000 0.000 0.819) 0.819 20.431 ( 0.000 -0.000 0.819) 0.819 21.582 ( -0.000 0.000 -3.887) 3.887 ======================= Grid point 345 (151/172) ======================= q-point: (-0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( -12.866 -13.082 7.587) 19.855 3.950 ( 9.261 11.235 4.533) 15.249 4.618 ( -0.175 -1.647 -6.647) 6.850 5.134 ( -11.655 -0.632 9.763) 15.217 5.438 ( -0.680 -2.085 13.619) 13.795 5.989 ( 1.869 -3.012 14.226) 14.661 6.808 ( 3.254 -4.972 -5.496) 8.094 6.888 ( 3.859 9.025 -1.766) 9.973 7.157 ( -4.557 -1.145 -1.639) 4.976 8.312 ( 0.900 -0.659 -8.586) 8.658 8.434 ( 5.854 4.355 -13.710) 15.531 8.691 ( -3.953 -1.676 -13.428) 14.098 9.269 ( -4.043 -4.250 -16.945) 17.931 9.441 ( 4.523 2.935 -16.017) 16.900 9.955 ( -1.285 -0.319 -10.402) 10.486 10.657 ( -6.970 -0.765 8.308) 10.871 10.868 ( 10.465 2.688 8.986) 14.053 11.327 ( -5.793 -5.088 -0.310) 7.716 11.809 ( -14.688 -9.753 1.495) 17.694 11.872 ( -2.181 1.221 -6.399) 6.870 12.236 ( 10.390 -4.262 14.681) 18.484 12.298 ( -1.701 11.392 -1.533) 11.620 12.578 ( 17.548 8.456 -5.501) 20.241 13.742 ( -5.688 -1.558 -0.805) 5.952 13.923 ( 4.665 3.660 -9.331) 11.055 14.102 ( 6.755 1.719 8.778) 11.209 15.253 ( -3.290 0.192 0.072) 3.296 15.337 ( 2.711 -0.608 -0.835) 2.901 15.583 ( -2.639 -2.237 2.724) 4.404 16.294 ( -7.569 -1.419 9.560) 12.276 16.419 ( 3.125 -3.720 6.048) 7.758 16.460 ( 1.664 3.974 5.394) 6.904 16.628 ( 1.306 1.134 6.675) 6.896 17.990 ( -2.167 -1.939 7.009) 7.589 18.098 ( 2.857 2.069 9.707) 10.328 20.052 ( -4.305 -6.252 -19.549) 20.971 20.226 ( -13.020 -1.862 -3.900) 13.718 20.634 ( 13.844 6.067 -4.772) 15.850 21.515 ( -0.755 -0.353 -3.612) 3.707 ======================= Grid point 346 (152/172) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -9.153 -17.571 12.759) 23.565 4.164 ( 2.123 12.492 3.869) 13.249 4.448 ( -7.528 -6.917 -7.469) 12.662 5.143 ( -14.426 10.776 7.935) 19.677 5.528 ( -6.115 -15.057 14.416) 21.724 6.047 ( 2.944 -4.363 -4.679) 7.042 6.730 ( 1.467 -6.287 -1.839) 6.713 6.977 ( -0.371 6.806 -7.222) 9.931 7.183 ( 5.789 5.989 9.085) 12.325 8.229 ( 2.988 3.501 -12.556) 13.373 8.359 ( 0.130 -0.747 -9.329) 9.360 8.425 ( 2.469 3.660 -12.505) 13.262 8.994 ( 1.240 -4.207 -12.826) 13.555 9.283 ( 7.130 1.494 -17.615) 19.062 9.784 ( -0.142 1.819 -12.171) 12.307 10.699 ( -9.294 -0.528 11.689) 14.943 11.122 ( -2.007 -7.257 4.533) 8.789 11.225 ( 2.588 1.947 8.845) 9.419 11.617 ( -12.351 -5.457 7.375) 15.386 11.878 ( 7.130 1.982 -2.506) 7.813 12.294 ( 6.983 2.282 -6.051) 9.518 12.552 ( -1.565 1.195 15.499) 15.624 12.804 ( 17.894 9.760 -4.165) 20.804 13.715 ( 2.220 4.310 -3.743) 6.125 13.828 ( 3.257 4.635 -11.459) 12.783 14.287 ( 5.807 0.452 4.449) 7.329 15.225 ( -4.631 3.253 0.074) 5.659 15.369 ( 4.739 -3.850 1.584) 6.308 15.492 ( -5.607 -5.255 -2.470) 8.072 16.363 ( -7.007 -1.338 12.604) 14.482 16.470 ( -1.175 -5.599 3.850) 6.896 16.586 ( -0.382 3.749 6.594) 7.595 16.760 ( 1.740 2.482 6.743) 7.393 18.052 ( -0.489 -4.822 7.553) 8.974 18.312 ( 2.061 4.285 11.718) 12.646 19.657 ( -5.926 -4.201 -20.914) 22.140 19.982 ( -10.884 -4.638 -4.669) 12.719 20.724 ( 8.763 3.254 -6.937) 11.640 21.475 ( 2.189 2.474 -4.024) 5.206 ======================= Grid point 347 (153/172) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -5.152 -22.864 18.669) 29.964 4.089 ( -19.446 -11.438 -8.958) 24.274 4.321 ( -0.863 12.940 3.742) 13.497 5.071 ( -29.284 10.028 7.787) 31.917 5.528 ( 2.508 -16.786 6.206) 18.071 5.934 ( 4.441 -3.160 -11.552) 12.773 6.680 ( -4.181 -5.097 -0.659) 6.625 6.930 ( 3.738 6.748 -3.023) 8.286 7.442 ( 7.497 2.553 3.287) 8.575 7.973 ( -7.304 2.045 -12.095) 14.276 8.296 ( 6.040 10.410 -5.120) 13.079 8.488 ( 14.056 5.757 -6.713) 16.607 8.861 ( 4.830 -5.372 -7.384) 10.330 9.169 ( 12.277 0.205 -14.789) 19.222 9.646 ( 2.297 4.803 -11.537) 12.706 10.723 ( -13.099 -0.605 11.480) 17.428 11.038 ( -7.156 -6.897 7.112) 12.222 11.486 ( -0.788 -0.327 13.783) 13.809 11.652 ( -1.133 -1.259 13.663) 13.768 11.962 ( 11.156 1.539 -4.758) 12.226 12.333 ( 8.538 2.380 -2.991) 9.354 12.639 ( -2.136 -0.959 0.992) 2.543 13.073 ( 15.711 10.573 0.955) 18.961 13.576 ( 4.762 -1.752 -18.539) 19.221 13.919 ( 3.885 15.612 2.190) 16.237 14.376 ( 3.987 -1.826 -0.393) 4.403 15.129 ( -7.958 -2.118 -3.813) 9.075 15.370 ( -3.687 -2.639 0.253) 4.541 15.456 ( 6.588 -2.419 2.765) 7.543 16.381 ( -8.296 -6.287 4.156) 11.208 16.456 ( -4.582 -8.355 8.778) 12.956 16.702 ( -1.658 6.352 6.634) 9.333 16.878 ( -1.444 4.592 4.588) 6.650 18.127 ( 2.587 -8.755 7.765) 11.985 18.519 ( -0.638 5.990 9.099) 10.913 19.235 ( -8.933 -2.280 -21.111) 23.036 19.789 ( -6.234 -6.232 0.219) 8.817 20.736 ( 5.686 0.354 -4.538) 7.284 21.481 ( 4.935 6.618 -6.582) 10.559 ======================= Grid point 348 (154/172) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( -6.295 -24.563 16.731) 30.380 3.569 ( -22.263 -17.964 -2.519) 28.717 4.408 ( -10.059 11.073 3.465) 15.356 4.817 ( -27.302 1.446 4.914) 27.778 5.515 ( 1.558 -0.396 -3.227) 3.605 5.817 ( 5.109 -8.636 -6.655) 12.040 6.526 ( -8.402 -4.789 -2.409) 9.967 7.091 ( 9.667 10.559 1.792) 14.427 7.374 ( -3.332 -7.253 -7.831) 11.182 7.916 ( 3.407 10.606 -3.271) 11.610 8.475 ( 11.734 13.271 -2.175) 17.847 8.650 ( 13.893 9.207 -0.241) 16.669 8.795 ( 6.591 -5.999 -5.959) 10.721 9.190 ( 17.205 -0.259 -8.641) 19.254 9.595 ( 5.940 6.809 -8.422) 12.352 10.712 ( -14.128 0.590 11.845) 18.446 11.032 ( -4.557 -8.019 8.492) 12.537 11.592 ( -10.712 -3.979 14.849) 18.737 11.868 ( 2.239 -1.061 12.463) 12.707 12.020 ( 10.398 -0.092 -7.004) 12.537 12.479 ( 7.959 3.659 1.568) 8.900 12.599 ( 7.879 5.267 -8.087) 12.459 13.277 ( 8.651 7.412 -14.596) 18.515 13.404 ( 5.872 -0.031 -3.433) 6.802 14.129 ( 1.778 15.622 4.835) 16.449 14.350 ( 4.459 -5.124 -5.750) 8.899 14.942 ( -6.327 -6.158 -3.058) 9.344 15.340 ( -4.369 1.896 1.759) 5.077 15.551 ( 5.654 -1.675 -0.116) 5.898 16.226 ( -9.658 -10.525 0.445) 14.292 16.462 ( -5.113 -9.745 9.649) 14.636 16.828 ( -1.720 8.041 6.038) 10.202 16.898 ( -6.077 3.388 0.465) 6.973 18.193 ( 3.157 -9.964 4.264) 11.288 18.594 ( -5.894 0.478 -1.900) 6.211 18.833 ( -7.196 2.457 -12.858) 14.938 19.777 ( -1.506 -3.968 10.213) 11.060 20.769 ( 5.465 -1.655 0.217) 5.715 21.495 ( 5.881 9.677 -9.376) 14.701 ======================= Grid point 355 (155/172) ======================= q-point: ( 0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( -5.143 -15.653 9.758) 19.149 4.033 ( 5.146 14.435 4.483) 15.967 4.535 ( -1.227 2.865 -6.513) 7.221 5.184 ( 3.870 -23.321 9.280) 25.396 5.693 ( -0.549 15.523 7.819) 17.390 6.181 ( -2.496 -9.212 10.984) 14.551 6.677 ( -5.653 -2.381 -6.977) 9.290 6.852 ( 5.768 9.404 -3.827) 11.677 7.167 ( 0.549 -5.853 4.067) 7.149 8.151 ( 0.388 0.567 -11.089) 11.110 8.271 ( -0.676 8.990 -10.615) 13.927 8.511 ( 1.356 -3.809 -12.318) 12.964 9.003 ( -1.776 -3.964 -18.691) 19.189 9.188 ( -0.516 7.979 -19.272) 20.865 9.784 ( 0.493 -2.484 -11.919) 12.186 10.852 ( 4.275 -1.706 12.377) 13.205 10.977 ( -4.232 4.375 11.843) 13.315 11.366 ( -1.706 -2.492 1.737) 3.484 11.727 ( 3.815 -10.839 -2.346) 11.728 11.869 ( -2.157 -2.964 -1.787) 4.078 12.193 ( -0.682 -0.417 -0.905) 1.208 12.486 ( 1.332 17.924 -1.326) 18.022 12.610 ( -1.101 2.371 18.974) 19.154 13.649 ( 0.832 -2.991 -11.408) 11.823 13.766 ( 0.605 4.420 -8.891) 9.947 14.243 ( -0.647 6.614 6.969) 9.630 15.245 ( 1.907 -4.770 1.422) 5.331 15.334 ( -1.701 2.372 -0.504) 2.962 15.599 ( -1.006 -2.255 -1.977) 3.163 16.446 ( 2.181 -6.176 10.374) 12.268 16.491 ( -2.133 -1.707 8.394) 8.827 16.570 ( 0.512 3.702 6.128) 7.178 16.732 ( 0.374 -0.002 8.089) 8.098 18.083 ( -1.409 -7.100 8.956) 11.516 18.266 ( 1.074 6.615 10.804) 12.713 19.738 ( -0.374 -1.619 -23.422) 23.481 20.183 ( 1.137 -10.433 -5.187) 11.706 20.544 ( -0.981 12.035 -6.187) 13.568 21.450 ( 0.275 -0.928 -4.684) 4.783 ======================= Grid point 357 (156/172) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( -8.793 -17.017 13.022) 23.162 4.247 ( 4.076 8.051 1.196) 9.103 4.438 ( -6.111 4.583 -3.338) 8.336 5.217 ( 7.888 -18.795 7.165) 21.606 5.841 ( -4.709 12.570 3.033) 13.762 6.013 ( -21.337 -12.957 0.450) 24.967 6.607 ( 7.844 -1.339 -2.619) 8.377 6.893 ( 1.470 2.196 -6.483) 7.001 7.269 ( 4.984 -1.854 9.674) 11.039 8.033 ( 2.971 2.137 -11.800) 12.355 8.228 ( 3.478 9.301 -6.328) 11.775 8.326 ( -2.982 3.213 -8.902) 9.923 8.731 ( 3.085 -3.059 -14.746) 15.372 8.974 ( 2.125 7.365 -18.860) 20.358 9.609 ( 1.161 -0.036 -11.736) 11.793 11.015 ( -8.871 2.727 13.780) 16.614 11.164 ( 2.492 -4.388 7.852) 9.333 11.371 ( -0.778 1.109 10.238) 10.327 11.728 ( 6.491 -5.229 -0.750) 8.369 11.793 ( -4.606 -4.843 4.264) 7.928 12.201 ( 2.138 3.850 -1.839) 4.772 12.670 ( 7.980 15.287 -1.182) 17.285 12.797 ( -3.248 -4.587 11.879) 13.142 13.431 ( 3.878 -2.070 -20.232) 20.704 13.783 ( 6.405 13.922 -3.160) 15.647 14.359 ( -1.024 3.030 5.195) 6.101 15.285 ( -3.454 0.728 -1.096) 3.696 15.290 ( 4.580 -8.283 1.600) 9.599 15.496 ( -4.976 0.009 -2.952) 5.786 16.512 ( -2.740 -7.577 4.904) 9.432 16.578 ( -3.296 -4.268 11.048) 12.293 16.700 ( 1.516 3.913 5.443) 6.873 16.866 ( 1.680 0.549 8.424) 8.608 18.124 ( -2.336 -10.142 8.986) 13.750 18.496 ( 2.302 5.309 10.476) 11.968 19.380 ( -2.610 -0.691 -22.027) 22.192 20.004 ( -8.239 -4.064 -3.372) 9.786 20.554 ( 6.682 7.703 -8.569) 13.320 21.394 ( 2.090 0.993 -4.876) 5.398 ======================= Grid point 358 (157/172) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( -5.655 -20.782 16.560) 27.168 4.116 ( -15.443 -6.762 -5.956) 17.880 4.478 ( 0.033 11.438 1.860) 11.588 5.318 ( 10.525 -12.293 5.877) 17.217 5.563 ( -21.541 -14.532 -8.981) 27.492 5.859 ( -10.999 9.980 2.200) 15.014 6.700 ( 0.331 -0.553 2.030) 2.130 6.807 ( 6.817 1.335 -6.342) 9.406 7.400 ( 2.127 -6.664 1.133) 7.086 7.914 ( -0.065 4.255 -5.437) 6.905 8.297 ( 3.363 16.063 -7.258) 17.944 8.351 ( 7.042 12.452 4.010) 14.857 8.579 ( 9.396 -7.706 -13.025) 17.814 8.857 ( 7.382 7.005 -11.708) 15.513 9.492 ( 2.815 4.295 -9.698) 10.973 11.072 ( -13.426 1.649 11.404) 17.692 11.168 ( -5.809 -7.145 6.532) 11.290 11.665 ( 7.130 2.694 15.446) 17.225 11.765 ( 6.809 0.230 -2.675) 7.319 11.827 ( 0.627 -4.709 8.253) 9.522 12.261 ( 4.805 4.361 0.855) 6.545 12.646 ( -7.805 -4.615 -2.497) 9.405 13.037 ( 11.422 14.783 3.274) 18.966 13.159 ( 8.251 -4.766 -21.796) 23.788 13.981 ( 8.022 19.241 -1.824) 20.926 14.396 ( -4.007 -2.418 3.470) 5.826 15.103 ( -5.623 -8.280 -5.938) 11.637 15.391 ( 5.950 -2.329 4.221) 7.658 15.435 ( -3.638 2.704 -0.262) 4.540 16.437 ( -6.600 -10.356 2.582) 12.549 16.615 ( -6.121 -8.890 8.803) 13.928 16.812 ( 1.546 4.533 3.289) 5.810 17.003 ( -0.080 3.305 5.515) 6.430 18.141 ( -0.948 -13.192 8.293) 15.612 18.654 ( 0.551 0.670 4.255) 4.342 19.037 ( -5.651 0.816 -17.885) 18.774 19.881 ( -7.611 1.702 3.483) 8.541 20.587 ( 8.668 5.359 -6.234) 11.946 21.372 ( 3.702 3.856 -6.155) 8.152 ======================= Grid point 359 (158/172) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( -4.684 -22.176 16.219) 27.871 3.716 ( -22.407 -12.063 -0.554) 25.454 4.565 ( 0.326 7.831 -0.169) 7.840 5.020 ( -20.287 -12.964 -13.996) 27.848 5.467 ( 10.340 -10.506 6.771) 16.221 5.795 ( -13.547 10.156 1.106) 16.967 6.607 ( -8.644 -2.064 0.724) 8.916 6.953 ( 14.075 0.876 -2.884) 14.394 7.308 ( -1.230 -1.640 -2.407) 3.162 7.935 ( -1.367 6.521 -1.408) 6.809 8.342 ( 8.059 11.129 -10.215) 17.121 8.539 ( 13.407 -3.418 -3.810) 14.351 8.687 ( 9.501 18.428 7.532) 22.058 8.918 ( 12.491 4.995 -2.961) 13.774 9.467 ( 4.955 7.489 -6.769) 11.245 11.022 ( -8.705 -6.561 3.768) 11.534 11.150 ( -9.274 -4.173 10.468) 14.595 11.771 ( 1.359 -1.138 -1.593) 2.384 11.930 ( 1.358 -1.021 11.011) 11.141 11.987 ( 2.304 -0.371 8.616) 8.926 12.393 ( 9.068 6.531 -9.220) 14.487 12.509 ( -2.138 2.942 4.191) 5.549 12.888 ( 8.560 -3.965 -18.915) 21.137 13.377 ( 11.123 12.648 3.411) 17.185 14.141 ( 6.522 11.884 -9.385) 16.487 14.348 ( -5.024 -2.652 6.133) 8.360 14.920 ( -4.485 -5.997 -2.435) 7.875 15.402 ( -1.219 0.148 -1.842) 2.214 15.506 ( 2.359 0.849 3.810) 4.561 16.277 ( -9.925 -12.359 1.559) 15.927 16.570 ( -5.180 -11.581 6.300) 14.165 16.892 ( 1.295 2.392 0.973) 2.889 17.033 ( -5.343 4.841 -0.803) 7.255 18.140 ( 0.227 -14.485 5.627) 15.542 18.593 ( -8.745 -3.642 -7.394) 12.017 18.801 ( -1.328 5.192 -5.533) 7.703 19.959 ( -1.139 1.706 12.215) 12.386 20.677 ( 8.196 5.817 -2.104) 10.268 21.360 ( 4.632 5.857 -7.681) 10.712 ======================= Grid point 366 (159/172) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 0.892 -6.485 14.274) 15.703 4.118 ( 0.698 4.682 3.120) 5.670 4.440 ( 7.208 1.935 -7.322) 10.455 5.084 ( 0.741 -27.180 8.423) 28.465 5.871 ( 2.420 10.612 6.006) 12.432 6.073 ( 14.706 -5.515 -4.381) 16.305 6.739 ( -12.679 -2.714 -5.280) 14.000 6.796 ( 3.927 5.448 -2.010) 7.010 7.234 ( -3.549 -4.926 10.126) 11.807 8.020 ( -3.590 3.160 -10.653) 11.677 8.218 ( 7.685 -6.306 -12.205) 15.741 8.263 ( -4.583 10.847 -7.925) 14.193 8.818 ( -6.091 4.450 -12.821) 14.875 9.019 ( -4.420 10.971 -17.913) 21.466 9.585 ( 0.132 -2.189 -11.870) 12.071 10.920 ( 8.504 -5.374 12.717) 16.215 11.278 ( -0.690 3.761 7.917) 8.791 11.343 ( 1.290 -0.825 7.989) 8.134 11.669 ( -3.637 -9.617 7.249) 12.580 11.866 ( -0.754 1.801 0.112) 1.956 12.192 ( -2.220 4.598 -3.776) 6.351 12.693 ( -9.440 17.324 -1.465) 19.784 12.795 ( 4.501 -5.920 11.610) 13.788 13.527 ( -11.476 -2.518 -9.154) 14.894 13.632 ( 4.254 8.767 -11.961) 15.427 14.379 ( -0.224 4.989 4.795) 6.924 15.198 ( 2.169 -6.966 1.019) 7.367 15.362 ( -2.465 -0.863 -1.533) 3.029 15.546 ( 2.499 3.349 -2.031) 4.646 16.536 ( 0.895 -6.955 10.942) 12.996 16.576 ( 2.976 -2.504 5.255) 6.538 16.666 ( 0.919 0.654 6.317) 6.417 16.836 ( 0.127 -2.313 7.378) 7.733 18.199 ( -1.572 -5.561 10.898) 12.335 18.442 ( 0.407 2.682 8.916) 9.320 19.372 ( 3.311 -1.793 -22.950) 23.257 20.008 ( 7.503 -2.938 -1.954) 8.291 20.575 ( -7.607 9.422 -8.997) 15.086 21.374 ( -0.871 -1.129 -5.091) 5.287 ======================= Grid point 367 (160/172) ======================= q-point: (-0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.708 ( -10.229 -14.282 11.841) 21.185 4.269 ( 2.585 5.688 2.456) 6.713 4.451 ( 4.916 5.914 -6.038) 9.778 5.040 ( 6.834 -28.083 8.663) 30.173 5.884 ( -6.856 2.748 -7.284) 10.373 6.140 ( 5.457 -7.670 -1.476) 9.528 6.560 ( -6.235 5.761 0.185) 8.492 6.819 ( 0.972 0.985 -3.096) 3.391 7.321 ( 1.470 -9.212 9.617) 13.398 7.881 ( -0.572 4.785 -8.172) 9.487 8.156 ( 8.568 0.916 -8.614) 12.184 8.243 ( 2.437 9.791 -1.469) 10.196 8.584 ( -9.106 9.702 -12.146) 18.016 8.818 ( -3.569 12.326 -13.942) 18.949 9.432 ( 1.817 0.094 -9.413) 9.587 11.163 ( 8.274 -4.786 9.086) 13.189 11.381 ( -8.497 4.418 8.938) 13.100 11.448 ( 3.515 2.036 2.873) 4.975 11.720 ( -2.456 -6.021 13.703) 15.167 11.854 ( -2.576 -4.515 4.560) 6.915 12.190 ( 2.075 6.292 -2.911) 7.237 12.767 ( 5.756 9.639 -1.248) 11.296 12.831 ( -2.724 -2.899 0.047) 3.978 13.183 ( -11.615 -0.574 -14.452) 18.550 13.737 ( 10.721 16.194 -2.684) 19.606 14.467 ( -1.144 0.961 4.824) 5.050 15.161 ( 1.593 -10.557 -3.611) 11.271 15.310 ( -0.446 -0.427 0.985) 1.163 15.538 ( -3.456 4.147 -1.282) 5.549 16.554 ( -2.561 -9.881 4.253) 11.058 16.704 ( 1.562 -4.357 8.453) 9.637 16.762 ( 0.725 1.239 3.808) 4.069 16.943 ( 3.078 -2.133 6.768) 7.735 18.246 ( -6.180 -10.727 11.323) 16.777 18.584 ( 4.178 -1.132 4.168) 6.010 19.085 ( 1.579 -0.765 -18.710) 18.792 20.074 ( -1.902 6.574 3.372) 7.630 20.420 ( -0.514 8.358 -12.307) 14.886 21.306 ( 1.499 -0.170 -4.181) 4.445 ======================= Grid point 369 (161/172) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( -6.443 -19.670 12.333) 24.094 4.226 ( -13.577 0.106 -1.352) 13.644 4.477 ( 6.386 4.054 -5.980) 9.643 5.125 ( 13.497 -22.532 10.183) 28.170 5.515 ( -18.488 -9.797 -13.933) 25.137 6.123 ( -3.556 4.750 -0.499) 5.955 6.626 ( 5.214 3.341 -0.088) 6.193 6.771 ( -2.979 1.319 -0.266) 3.269 7.341 ( -0.394 -11.740 2.571) 12.025 7.893 ( 3.319 8.824 0.763) 9.459 8.169 ( 12.301 -4.065 -9.740) 16.208 8.358 ( -6.593 14.304 -6.103) 16.891 8.482 ( 6.326 16.950 4.725) 18.699 8.748 ( 0.907 12.725 -6.201) 14.184 9.368 ( 3.124 4.170 -5.966) 7.921 11.210 ( -5.365 -7.646 -0.718) 9.369 11.404 ( -8.021 3.425 6.587) 10.929 11.589 ( 11.821 1.672 0.509) 11.950 11.880 ( -1.725 0.413 13.762) 13.876 11.926 ( -0.550 -5.316 13.638) 14.648 12.227 ( 4.006 6.482 -4.786) 8.998 12.678 ( 6.859 -9.066 -11.878) 16.441 12.822 ( -15.504 1.752 -5.719) 16.618 13.048 ( 10.669 14.838 2.999) 18.520 13.954 ( 8.979 19.183 -5.273) 21.827 14.479 ( -3.928 -5.873 3.209) 7.760 15.012 ( -2.095 -8.016 -3.876) 9.147 15.368 ( 3.079 -0.110 2.131) 3.746 15.503 ( -2.977 1.664 0.353) 3.429 16.477 ( -4.956 -11.805 3.112) 13.176 16.717 ( -5.630 -9.272 4.613) 11.787 16.843 ( 2.749 3.308 1.303) 4.494 17.049 ( 3.229 -0.483 1.970) 3.814 18.226 ( -7.045 -13.634 10.261) 18.461 18.618 ( 3.873 -6.987 -1.674) 8.163 18.884 ( -1.202 2.885 -11.184) 11.612 20.089 ( -9.720 7.460 2.364) 12.479 20.433 ( 10.802 11.468 -4.449) 16.370 21.277 ( 2.065 1.075 -3.935) 4.572 ======================= Grid point 370 (162/172) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( -0.552 -24.828 14.093) 28.555 3.947 ( -23.346 -3.481 -0.726) 23.616 4.488 ( 8.220 0.938 -8.036) 11.534 4.941 ( -19.766 -14.146 -14.964) 28.543 5.327 ( 11.856 -14.665 10.547) 21.607 6.097 ( -9.141 10.308 0.773) 13.799 6.618 ( 2.748 -7.616 -2.892) 8.598 6.824 ( 0.734 4.474 1.516) 4.781 7.307 ( 0.366 -1.432 3.485) 3.785 7.944 ( -2.723 -1.820 -7.551) 8.230 8.156 ( 10.582 7.022 -0.499) 12.709 8.424 ( 5.950 17.368 -2.305) 18.503 8.814 ( 2.700 10.093 -0.066) 10.448 8.881 ( 12.535 16.380 12.085) 23.905 9.394 ( 3.725 7.926 -3.022) 9.264 10.990 ( -6.594 -12.108 -6.202) 15.118 11.380 ( -5.425 -1.152 -0.140) 5.548 11.730 ( 1.413 -2.598 5.853) 6.558 12.045 ( -0.394 2.966 5.002) 5.829 12.062 ( 3.561 -1.214 0.879) 3.864 12.269 ( 3.354 6.115 2.732) 7.491 12.458 ( 1.548 4.844 -20.536) 21.156 12.769 ( -2.210 -1.423 15.198) 15.423 13.375 ( 13.014 11.332 5.363) 18.070 14.008 ( 0.028 12.494 -14.199) 18.914 14.438 ( 0.444 -3.604 4.306) 5.633 14.918 ( -3.266 -4.450 0.871) 5.588 15.362 ( -1.207 -0.892 -3.300) 3.625 15.559 ( 2.986 0.586 5.021) 5.871 16.347 ( -9.280 -12.126 3.029) 15.567 16.598 ( -5.586 -11.578 0.394) 12.861 16.892 ( 1.026 1.994 -1.005) 2.457 17.036 ( -0.347 0.316 -6.180) 6.198 18.175 ( -6.097 -14.861 9.010) 18.418 18.570 ( -3.592 -5.868 -1.845) 7.124 18.757 ( 0.888 5.647 -6.097) 8.357 20.095 ( 1.910 -1.181 3.240) 3.942 20.646 ( 6.796 17.327 1.668) 18.686 21.256 ( 2.013 1.038 -3.579) 4.236 ======================= Grid point 378 (163/172) ======================= q-point: ( 0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( 6.891 2.828 18.071) 19.546 4.117 ( 15.734 -9.674 -8.169) 20.196 4.201 ( -2.435 -0.745 0.551) 2.605 5.004 ( 0.316 -29.015 8.586) 30.261 5.712 ( 16.096 -2.599 -11.888) 20.178 5.975 ( 4.239 9.915 3.985) 11.496 6.692 ( 2.625 -6.254 -3.243) 7.518 6.818 ( -5.296 4.826 -1.560) 7.333 7.412 ( -6.563 -2.931 3.419) 7.960 7.888 ( 9.266 -3.974 -4.490) 11.037 8.065 ( -13.077 4.740 -4.750) 14.698 8.323 ( -8.722 10.671 -7.157) 15.529 8.812 ( -4.577 8.367 -6.591) 11.593 8.961 ( -7.935 15.855 -13.769) 22.449 9.436 ( -3.060 0.047 -9.129) 9.628 10.912 ( 9.476 -10.420 10.414) 17.517 11.238 ( 7.634 -2.484 7.374) 10.901 11.662 ( -6.183 2.508 15.141) 16.546 11.831 ( -3.619 -2.092 13.038) 13.692 11.892 ( -1.233 5.899 -3.453) 6.945 12.228 ( -7.472 4.893 -3.328) 9.531 12.626 ( 5.330 -4.584 -8.474) 11.011 12.985 ( -9.603 10.899 -1.981) 14.660 13.468 ( 5.092 11.299 -11.146) 16.668 13.646 ( -18.249 -2.903 1.313) 18.525 14.448 ( 2.647 3.020 2.313) 4.634 15.092 ( 3.626 -7.336 -3.160) 8.773 15.341 ( -0.903 -2.736 -0.663) 2.957 15.561 ( 1.342 6.913 0.406) 7.053 16.527 ( 8.669 -3.861 1.723) 9.645 16.614 ( 0.483 -9.773 8.394) 12.892 16.746 ( 1.048 0.810 6.475) 6.609 16.899 ( 0.374 -4.735 5.322) 7.133 18.335 ( 2.372 -0.558 9.387) 9.698 18.537 ( -2.931 -6.044 4.923) 8.329 18.973 ( 6.616 -3.795 -20.062) 21.463 19.933 ( 7.826 5.727 3.802) 10.416 20.626 ( -9.758 8.763 -7.390) 15.054 21.312 ( -2.833 -1.439 -5.371) 6.240 ======================= Grid point 379 (164/172) ======================= q-point: ( 0.50 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -11.173 -16.372 6.355) 20.815 4.174 ( 17.964 -3.312 -11.780) 21.735 4.349 ( 2.922 7.990 6.676) 10.815 4.940 ( 0.803 -27.679 12.338) 30.315 5.735 ( 15.620 1.286 -12.708) 20.178 6.003 ( -7.440 -7.154 -1.066) 10.376 6.661 ( 0.895 2.352 0.617) 2.591 6.794 ( -0.670 3.834 -2.046) 4.397 7.357 ( -1.749 -9.874 2.993) 10.465 7.942 ( -2.900 8.764 -2.357) 9.527 7.959 ( 0.397 -1.387 3.010) 3.337 8.281 ( 2.253 14.728 -2.413) 15.093 8.667 ( -12.062 11.960 -7.859) 18.716 8.828 ( -5.317 16.864 -9.271) 19.965 9.325 ( -0.581 2.239 -3.932) 4.563 11.095 ( 10.790 -9.038 6.407) 15.465 11.378 ( 3.130 -2.245 3.363) 5.114 11.700 ( -11.847 7.797 -0.642) 14.197 11.922 ( -0.146 -0.350 11.699) 11.705 12.016 ( -2.548 -3.698 16.038) 16.655 12.165 ( -1.500 5.369 -1.722) 5.835 12.478 ( 6.011 -4.493 -15.081) 16.845 12.926 ( -0.427 9.048 -7.607) 11.829 13.265 ( -15.385 5.408 -5.026) 17.065 13.733 ( 4.897 13.127 4.992) 14.874 14.513 ( 1.409 -2.157 1.435) 2.949 15.015 ( 1.450 -7.669 -3.641) 8.612 15.330 ( -0.037 -1.077 2.316) 2.554 15.581 ( -1.841 4.120 -2.488) 5.153 16.518 ( 1.442 -12.649 0.222) 12.733 16.711 ( 6.034 -5.241 4.719) 9.281 16.833 ( -1.429 0.865 3.412) 3.799 16.968 ( 1.805 -3.826 5.641) 7.051 18.436 ( -3.759 -8.935 10.839) 14.541 18.482 ( 1.574 -10.162 -3.254) 10.786 18.818 ( 5.879 2.195 -10.832) 12.518 20.160 ( 9.485 10.628 1.423) 14.316 20.417 ( -14.486 10.358 -6.611) 18.995 21.245 ( 0.545 -0.401 -1.735) 1.863 ======================= Grid point 380 (165/172) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( -6.085 -22.821 6.716) 24.555 4.168 ( 16.959 -3.922 -15.720) 23.455 4.402 ( -10.859 4.636 0.984) 11.848 5.012 ( 6.359 -24.204 15.809) 29.601 5.529 ( -18.757 -4.678 -10.159) 21.838 5.942 ( 15.572 -5.176 -5.499) 17.306 6.647 ( -2.776 -5.190 -0.808) 5.941 6.854 ( -0.302 13.638 1.548) 13.729 7.317 ( -0.082 -10.518 4.253) 11.346 7.927 ( 1.906 -2.407 -5.459) 6.263 8.035 ( -3.631 13.817 7.266) 16.028 8.512 ( -10.096 17.230 -5.222) 20.641 8.538 ( 12.545 12.794 5.474) 18.736 8.818 ( -1.309 16.110 -2.087) 16.298 9.333 ( 0.466 5.374 0.741) 5.445 11.155 ( -1.430 -8.878 -3.993) 9.839 11.348 ( 4.709 -5.928 -5.654) 9.449 11.668 ( -2.098 5.683 5.915) 8.467 12.050 ( -0.651 1.851 -0.832) 2.131 12.134 ( -3.760 -8.056 4.538) 9.982 12.180 ( 2.048 7.762 4.501) 9.204 12.387 ( 1.065 3.029 -2.645) 4.160 12.885 ( 3.854 3.368 -3.735) 6.336 13.193 ( -6.072 10.986 5.814) 13.833 13.940 ( 3.605 18.342 -1.594) 18.761 14.465 ( -1.084 -8.646 -2.174) 8.981 14.954 ( 0.367 -5.864 1.184) 5.993 15.374 ( 0.630 0.131 1.900) 2.006 15.530 ( -1.613 0.622 -1.793) 2.491 16.440 ( 1.068 -13.767 0.468) 13.816 16.749 ( -0.095 -8.694 0.264) 8.698 16.850 ( -0.720 4.233 -0.127) 4.296 17.003 ( 0.592 -4.431 0.101) 4.472 18.365 ( -3.230 -10.961 1.556) 11.533 18.474 ( 2.202 -11.192 7.069) 13.420 18.783 ( 1.165 3.948 -5.889) 7.184 20.118 ( -1.886 3.365 -13.060) 13.618 20.500 ( 2.023 17.142 7.946) 19.002 21.245 ( -0.582 1.026 0.959) 1.520 ======================= Grid point 381 (166/172) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 0.212 -28.599 9.890) 30.261 4.077 ( 8.528 -4.608 -17.847) 20.309 4.245 ( -10.453 -0.361 -1.154) 10.523 4.872 ( -16.472 -20.947 -8.634) 28.012 5.355 ( 0.184 -5.031 13.787) 14.678 6.035 ( 14.161 -1.596 -5.078) 15.128 6.550 ( -3.192 -8.657 0.902) 9.270 6.941 ( -5.088 11.319 0.453) 12.418 7.360 ( 3.041 -3.729 7.634) 9.024 7.824 ( -2.743 -0.738 -5.052) 5.796 8.244 ( 1.615 16.091 7.065) 17.648 8.506 ( -1.818 19.269 -2.605) 19.529 8.818 ( 7.780 3.902 3.881) 9.530 9.052 ( 9.027 19.056 9.434) 23.100 9.424 ( 0.639 8.293 3.556) 9.046 10.869 ( -7.816 -12.218 -10.638) 17.987 11.263 ( 2.815 -6.180 -8.923) 11.213 11.789 ( -2.251 -9.764 -1.828) 10.186 11.948 ( 5.219 8.928 -1.022) 10.392 12.061 ( 0.480 1.299 -11.566) 11.649 12.372 ( -3.077 13.052 0.644) 13.426 12.410 ( 1.053 1.865 12.185) 12.372 13.015 ( -0.848 6.037 11.942) 13.408 13.380 ( 9.064 4.561 6.765) 12.195 13.969 ( -7.746 16.468 -10.367) 20.944 14.413 ( 5.578 -3.831 2.123) 7.092 14.948 ( -1.477 -5.512 3.170) 6.527 15.340 ( -3.052 -1.571 -2.310) 4.137 15.570 ( 4.560 0.388 3.006) 5.475 16.360 ( -0.098 -13.160 1.296) 13.224 16.598 ( -9.332 -8.571 -3.364) 13.110 16.854 ( 2.186 3.133 -5.546) 6.735 16.918 ( -1.589 -4.756 -5.152) 7.189 18.284 ( -5.011 -10.629 4.812) 12.698 18.551 ( 1.422 -8.617 6.163) 10.689 18.719 ( -1.268 4.849 -2.917) 5.799 19.985 ( 4.823 -1.710 -8.118) 9.596 20.755 ( 5.639 14.861 3.082) 16.191 21.271 ( -3.430 2.654 4.580) 6.308 ======================= Grid point 465 (167/172) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( 0.000 -0.000 8.924) 8.924 3.931 ( 0.000 -0.000 8.924) 8.924 4.423 ( -0.000 0.000 -5.678) 5.678 5.567 ( 0.000 -0.000 5.512) 5.512 5.567 ( 0.000 -0.000 5.512) 5.512 6.465 ( 0.000 -0.000 9.848) 9.848 6.622 ( -0.000 0.000 -6.948) 6.948 6.622 ( -0.000 0.000 -6.948) 6.948 7.302 ( 0.000 -0.000 8.758) 8.758 8.023 ( -0.000 0.000 -9.348) 9.348 8.023 ( -0.000 0.000 -9.348) 9.348 8.368 ( -0.000 0.000 -11.770) 11.770 8.791 ( -0.000 0.000 -19.522) 19.522 8.791 ( -0.000 0.000 -19.522) 19.522 9.621 ( -0.000 0.000 -12.617) 12.617 11.091 ( 0.000 -0.000 13.067) 13.067 11.091 ( 0.000 -0.000 13.067) 13.067 11.403 ( 0.000 -0.000 0.983) 0.983 11.855 ( 0.000 -0.000 1.984) 1.984 11.855 ( 0.000 -0.000 1.984) 1.984 12.223 ( 0.000 0.000 -1.219) 1.219 12.223 ( 0.000 -0.000 -1.219) 1.219 12.972 ( 0.000 -0.000 23.406) 23.406 13.486 ( -0.000 0.000 -16.895) 16.895 13.486 ( -0.000 0.000 -16.895) 16.895 14.336 ( 0.000 -0.000 9.161) 9.161 15.313 ( 0.000 -0.000 1.708) 1.708 15.313 ( 0.000 -0.000 1.708) 1.708 15.554 ( -0.000 0.000 -6.934) 6.934 16.618 ( 0.000 -0.000 6.557) 6.557 16.618 ( 0.000 -0.000 6.557) 6.557 16.660 ( 0.000 -0.000 10.634) 10.634 16.862 ( 0.000 -0.000 8.895) 8.895 18.332 ( 0.000 -0.000 11.303) 11.303 18.332 ( 0.000 -0.000 11.303) 11.303 19.406 ( -0.000 0.000 -22.834) 22.834 20.260 ( -0.000 0.000 -7.846) 7.846 20.260 ( -0.000 0.000 -7.846) 7.846 21.381 ( -0.000 0.000 -5.245) 5.245 ======================= Grid point 468 (168/172) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( -4.438 -10.656 12.661) 17.133 4.164 ( 2.620 8.046 4.845) 9.751 4.344 ( -2.725 -0.749 -4.747) 5.525 5.472 ( -10.128 -0.901 5.603) 11.609 5.740 ( 5.897 -0.216 -1.867) 6.189 6.214 ( -22.411 -11.608 0.518) 25.244 6.604 ( 9.294 -3.074 -4.703) 10.861 6.736 ( 4.537 8.125 -1.792) 9.476 7.439 ( -1.414 -0.273 11.570) 11.659 7.896 ( 0.940 2.164 -5.274) 5.778 8.010 ( 8.360 3.160 -7.177) 11.463 8.149 ( -6.750 0.222 -10.346) 12.355 8.569 ( 7.486 1.852 -12.119) 14.365 8.613 ( 7.555 2.171 -17.516) 19.200 9.443 ( -0.774 0.164 -10.531) 10.561 11.183 ( -7.556 -0.605 11.276) 13.587 11.326 ( 2.654 -2.915 6.578) 7.669 11.443 ( 4.637 4.076 5.112) 8.016 11.832 ( -2.143 -4.064 3.635) 5.858 11.919 ( -2.654 -0.292 7.733) 8.181 12.117 ( -1.212 0.829 -0.786) 1.666 12.494 ( 15.844 8.538 4.360) 18.518 13.004 ( -15.345 -2.534 -5.598) 16.530 13.247 ( 9.355 -13.152 -14.719) 21.843 13.466 ( 7.784 17.330 -2.094) 19.113 14.463 ( -1.003 -0.824 8.895) 8.989 15.276 ( -5.647 -1.709 -1.723) 6.146 15.369 ( 1.451 1.425 1.013) 2.272 15.441 ( 1.813 -1.885 -4.838) 5.500 16.660 ( -2.882 -4.287 4.159) 6.632 16.711 ( -0.342 2.974 4.709) 5.580 16.792 ( -2.051 -1.791 9.253) 9.645 16.970 ( -1.062 0.413 6.587) 6.684 18.398 ( -3.988 -6.331 10.755) 13.102 18.566 ( 1.832 4.424 9.263) 10.427 19.095 ( -2.089 -0.667 -18.219) 18.350 20.006 ( -6.976 -4.568 -4.598) 9.522 20.313 ( 11.464 6.390 -9.774) 16.364 21.311 ( 0.081 0.492 -4.504) 4.532 ======================= Grid point 469 (169/172) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( -0.265 -15.685 13.754) 20.863 4.116 ( -11.814 -5.773 -6.196) 14.536 4.318 ( -0.860 12.494 1.777) 12.649 5.464 ( -10.667 6.067 8.046) 14.675 5.549 ( -10.977 -11.268 -14.460) 21.367 5.976 ( -7.468 -11.341 6.388) 15.006 6.672 ( 8.657 5.198 -4.471) 11.044 6.742 ( -1.444 -1.334 0.369) 2.000 7.501 ( -6.407 -4.133 1.545) 7.780 7.886 ( 0.820 -4.378 1.642) 4.747 7.968 ( 4.404 11.051 -7.999) 14.336 8.186 ( 8.374 14.666 2.828) 17.124 8.514 ( 14.640 -6.053 -12.697) 20.302 8.621 ( 11.826 7.565 -5.061) 14.923 9.327 ( 0.940 1.878 -5.908) 6.270 11.203 ( -10.666 -0.134 8.051) 13.364 11.347 ( -2.580 -5.068 5.142) 7.666 11.638 ( 10.098 3.989 -3.609) 11.441 11.894 ( 2.176 -1.511 10.148) 10.488 12.039 ( -0.320 -1.139 11.607) 11.667 12.151 ( 4.207 3.429 -0.182) 5.431 12.596 ( -12.240 1.897 -12.201) 17.386 12.826 ( 8.996 4.205 -2.641) 10.276 13.117 ( 12.178 -6.477 -8.330) 16.114 13.682 ( 8.722 14.027 0.583) 16.528 14.528 ( -4.910 -3.268 6.213) 8.566 15.098 ( -6.104 -3.609 -6.070) 9.334 15.383 ( -1.008 2.328 -0.100) 2.538 15.475 ( 4.740 -1.510 1.427) 5.176 16.600 ( -6.979 -6.731 1.878) 9.876 16.786 ( 0.681 3.937 2.003) 4.470 16.829 ( -5.259 -5.066 5.559) 9.177 17.026 ( -2.589 1.448 3.032) 4.242 18.432 ( -3.407 -9.471 7.658) 12.647 18.688 ( -0.879 3.291 4.113) 5.341 18.798 ( -7.949 -0.961 -14.317) 16.404 19.944 ( 0.351 -1.541 5.773) 5.985 20.381 ( 13.293 7.335 -8.929) 17.613 21.263 ( 0.191 1.233 -3.208) 3.442 ======================= Grid point 478 (170/172) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( -4.972 -10.410 9.458) 14.918 4.233 ( 1.860 4.801 2.590) 5.763 4.318 ( 2.792 1.384 -3.865) 4.965 5.484 ( 2.947 -16.230 6.012) 17.557 5.723 ( -2.760 3.761 -5.589) 7.280 6.296 ( 3.398 -15.114 -2.069) 15.629 6.482 ( -5.053 4.005 -0.528) 6.470 6.732 ( 1.202 6.964 -1.088) 7.150 7.595 ( -0.473 -6.919 11.339) 13.292 7.790 ( 0.963 -3.777 -3.656) 5.344 7.943 ( 0.272 8.746 -5.387) 10.275 8.095 ( 3.650 9.860 -4.907) 11.603 8.333 ( -2.789 0.535 -9.082) 9.515 8.463 ( -1.608 11.953 -9.278) 15.217 9.318 ( 0.359 -0.324 -6.152) 6.171 11.343 ( 4.661 -3.680 6.364) 8.705 11.417 ( -4.804 2.663 3.820) 6.690 11.440 ( 0.378 2.002 0.605) 2.125 11.893 ( -1.971 -1.185 4.771) 5.296 12.003 ( 2.136 5.837 0.148) 6.218 12.187 ( -1.359 -10.840 14.129) 17.860 12.609 ( 1.730 15.765 10.515) 19.029 12.776 ( 5.098 -9.743 -21.454) 24.108 13.018 ( -9.298 3.478 -14.700) 17.738 13.520 ( 3.718 9.151 4.371) 10.801 14.595 ( -0.037 -2.607 8.345) 8.742 15.203 ( 0.203 -7.356 -7.528) 10.527 15.351 ( 0.878 -0.834 2.107) 2.431 15.439 ( -1.519 6.212 -1.107) 6.490 16.709 ( -1.808 -4.994 2.295) 5.785 16.756 ( 1.997 1.158 2.024) 3.070 16.908 ( -0.534 -3.666 6.444) 7.433 17.038 ( 0.857 -0.803 2.946) 3.171 18.545 ( -4.168 -7.286 10.004) 13.059 18.652 ( 3.306 -0.620 3.049) 4.540 18.887 ( 0.927 -2.006 -10.823) 11.046 20.019 ( -1.420 4.004 0.418) 4.268 20.132 ( 0.864 7.266 -9.996) 12.388 21.258 ( 0.219 -0.128 -2.559) 2.572 ======================= Grid point 480 (171/172) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( -0.330 -14.396 10.549) 17.850 4.175 ( -11.798 1.382 -4.455) 12.686 4.327 ( 6.423 3.173 -5.521) 9.045 5.452 ( -13.276 -9.093 -8.952) 18.414 5.568 ( 3.707 -12.391 8.205) 15.317 6.121 ( -8.132 -6.308 -0.315) 10.297 6.567 ( 5.404 5.853 1.416) 8.091 6.757 ( 0.158 0.915 -0.182) 0.946 7.550 ( -6.809 -12.257 0.639) 14.036 7.807 ( 3.492 5.315 0.114) 6.361 8.018 ( 0.229 14.256 -0.182) 14.259 8.105 ( 8.908 -2.226 -8.817) 12.730 8.368 ( 3.744 13.917 7.584) 16.285 8.530 ( 7.940 11.145 0.923) 13.715 9.277 ( 0.526 1.011 -0.636) 1.306 11.298 ( -4.150 -8.492 -3.302) 10.011 11.424 ( -2.147 0.739 0.703) 2.377 11.551 ( 5.808 7.004 2.305) 9.387 11.971 ( 1.274 2.312 6.000) 6.555 12.036 ( 3.288 5.437 -7.348) 9.714 12.316 ( -5.324 -9.792 20.110) 22.993 12.416 ( -1.575 -2.851 -22.960) 23.190 12.826 ( -1.530 2.579 -3.291) 4.453 12.976 ( 9.743 11.637 11.496) 19.039 13.646 ( 5.358 10.180 -4.256) 12.266 14.611 ( -3.150 -5.551 0.074) 6.383 15.067 ( -3.214 -5.478 0.093) 6.352 15.373 ( -0.174 -0.001 -1.251) 1.263 15.481 ( 2.546 3.903 1.885) 5.027 16.652 ( -4.442 -7.249 1.380) 8.613 16.784 ( 0.626 0.856 -1.639) 1.952 16.899 ( -3.109 -5.568 0.949) 6.448 17.055 ( -0.294 -0.404 -1.524) 1.604 18.534 ( -5.497 -9.673 6.571) 12.921 18.679 ( 1.077 0.197 -3.866) 4.018 18.742 ( -3.749 -4.579 -2.760) 6.530 20.044 ( 2.028 2.574 2.018) 3.848 20.200 ( 7.088 13.152 -1.066) 14.978 21.238 ( 0.028 -0.021 -0.410) 0.412 ======================= Grid point 596 (172/172) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( 0.000 0.000 -0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 5.650 ( -0.000 0.000 -0.000) 0.000 5.650 ( -0.000 0.000 0.000) 0.000 6.445 ( 0.000 -0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.626 ( -0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 -0.000) 0.000 7.829 ( 0.000 -0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 7.879 ( -0.000 -0.000 0.000) 0.000 8.276 ( -0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 11.423 ( -0.000 0.000 0.000) 0.000 11.423 ( 0.000 0.000 0.000) 0.000 11.427 ( -0.000 0.000 0.000) 0.000 11.935 ( -0.000 0.000 0.000) 0.000 11.935 ( -0.000 0.000 0.000) 0.000 12.623 ( 0.000 -0.000 -0.000) 0.000 12.623 ( -0.000 0.000 0.000) 0.000 12.628 ( -0.000 -0.000 -0.000) 0.000 12.628 ( -0.000 0.000 0.000) 0.000 13.518 ( 0.000 0.000 -0.000) 0.000 14.696 ( 0.000 0.000 0.000) 0.000 15.192 ( 0.000 0.000 0.000) 0.000 15.374 ( -0.000 0.000 0.000) 0.000 15.374 ( 0.000 0.000 0.000) 0.000 16.763 ( 0.000 0.000 0.000) 0.000 16.763 ( -0.000 0.000 0.000) 0.000 16.992 ( 0.000 0.000 0.000) 0.000 17.056 ( -0.000 0.000 -0.000) 0.000 18.680 ( 0.000 0.000 0.000) 0.000 18.680 ( 0.000 0.000 0.000) 0.000 18.832 ( 0.000 0.000 0.000) 0.000 19.989 ( -0.000 0.000 0.000) 0.000 19.989 ( -0.000 0.000 0.000) 0.000 21.240 ( -0.000 0.000 0.000) 0.000 =================== 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 3/39000 10.0 796.179 796.179 1274.330 0.000 -0.000 0.000 3/39000 20.0 402.141 402.141 376.794 0.000 -0.000 0.000 3/39000 30.0 203.442 203.442 161.754 0.000 -0.000 0.000 3/39000 40.0 109.113 109.113 82.041 0.000 -0.000 0.000 3/39000 50.0 66.224 66.224 48.113 0.000 -0.000 0.000 3/39000 60.0 44.576 44.576 31.684 0.000 -0.000 0.000 3/39000 70.0 32.422 32.422 22.738 0.000 -0.000 0.000 3/39000 80.0 24.967 24.967 17.372 0.000 -0.000 0.000 3/39000 90.0 20.061 20.061 13.900 0.000 -0.000 0.000 3/39000 100.0 16.647 16.647 11.515 0.000 -0.000 0.000 3/39000 110.0 14.164 14.164 9.798 0.000 -0.000 0.000 3/39000 120.0 12.294 12.294 8.515 0.000 -0.000 0.000 3/39000 130.0 10.844 10.844 7.526 0.000 -0.000 0.000 3/39000 140.0 9.693 9.693 6.744 0.000 -0.000 0.000 3/39000 150.0 8.761 8.761 6.112 0.000 -0.000 0.000 3/39000 160.0 7.992 7.992 5.593 0.000 -0.000 0.000 3/39000 170.0 7.349 7.349 5.159 0.000 -0.000 0.000 3/39000 180.0 6.804 6.804 4.792 0.000 -0.000 0.000 3/39000 190.0 6.336 6.336 4.477 0.000 -0.000 0.000 3/39000 200.0 5.931 5.931 4.204 0.000 -0.000 0.000 3/39000 210.0 5.577 5.577 3.965 0.000 -0.000 0.000 3/39000 220.0 5.265 5.265 3.754 0.000 -0.000 0.000 3/39000 230.0 4.988 4.988 3.566 0.000 -0.000 0.000 3/39000 240.0 4.740 4.740 3.398 0.000 -0.000 0.000 3/39000 250.0 4.517 4.517 3.246 0.000 -0.000 0.000 3/39000 260.0 4.315 4.315 3.109 0.000 -0.000 0.000 3/39000 270.0 4.132 4.132 2.984 0.000 -0.000 0.000 3/39000 280.0 3.964 3.964 2.869 0.000 -0.000 0.000 3/39000 290.0 3.811 3.811 2.763 0.000 -0.000 0.000 3/39000 300.0 3.669 3.669 2.666 0.000 -0.000 0.000 3/39000 310.0 3.538 3.538 2.576 0.000 -0.000 0.000 3/39000 320.0 3.417 3.417 2.492 0.000 -0.000 0.000 3/39000 330.0 3.304 3.304 2.413 0.000 -0.000 0.000 3/39000 340.0 3.199 3.199 2.340 0.000 -0.000 0.000 3/39000 350.0 3.100 3.100 2.271 0.000 -0.000 0.000 3/39000 360.0 3.008 3.008 2.207 0.000 -0.000 0.000 3/39000 370.0 2.921 2.921 2.146 0.000 -0.000 0.000 3/39000 380.0 2.840 2.840 2.089 0.000 -0.000 0.000 3/39000 390.0 2.763 2.763 2.034 0.000 -0.000 0.000 3/39000 400.0 2.690 2.690 1.983 0.000 -0.000 0.000 3/39000 410.0 2.621 2.621 1.934 0.000 -0.000 0.000 3/39000 420.0 2.555 2.555 1.888 0.000 -0.000 0.000 3/39000 430.0 2.493 2.493 1.844 0.000 -0.000 0.000 3/39000 440.0 2.434 2.434 1.802 0.000 -0.000 0.000 3/39000 450.0 2.378 2.378 1.762 0.000 -0.000 0.000 3/39000 460.0 2.325 2.325 1.723 0.000 -0.000 0.000 3/39000 470.0 2.273 2.273 1.687 0.000 -0.000 0.000 3/39000 480.0 2.225 2.225 1.652 0.000 -0.000 0.000 3/39000 490.0 2.178 2.178 1.618 0.000 -0.000 0.000 3/39000 500.0 2.133 2.133 1.586 0.000 -0.000 0.000 3/39000 510.0 2.090 2.090 1.555 0.000 -0.000 0.000 3/39000 520.0 2.049 2.049 1.525 0.000 -0.000 0.000 3/39000 530.0 2.009 2.009 1.496 0.000 -0.000 0.000 3/39000 540.0 1.971 1.971 1.469 0.000 -0.000 0.000 3/39000 550.0 1.934 1.934 1.442 0.000 -0.000 0.000 3/39000 560.0 1.899 1.899 1.417 0.000 -0.000 0.000 3/39000 570.0 1.865 1.865 1.392 0.000 -0.000 0.000 3/39000 580.0 1.832 1.832 1.368 0.000 -0.000 0.000 3/39000 590.0 1.801 1.801 1.345 0.000 -0.000 0.000 3/39000 600.0 1.770 1.770 1.323 0.000 -0.000 0.000 3/39000 610.0 1.741 1.741 1.301 0.000 -0.000 0.000 3/39000 620.0 1.712 1.712 1.281 0.000 -0.000 0.000 3/39000 630.0 1.685 1.685 1.260 0.000 -0.000 0.000 3/39000 640.0 1.658 1.658 1.241 0.000 -0.000 0.000 3/39000 650.0 1.632 1.632 1.222 0.000 -0.000 0.000 3/39000 660.0 1.607 1.607 1.204 0.000 -0.000 0.000 3/39000 670.0 1.583 1.583 1.186 0.000 -0.000 0.000 3/39000 680.0 1.559 1.559 1.168 0.000 -0.000 0.000 3/39000 690.0 1.536 1.536 1.152 0.000 -0.000 0.000 3/39000 700.0 1.514 1.514 1.135 0.000 -0.000 0.000 3/39000 710.0 1.493 1.493 1.119 0.000 -0.000 0.000 3/39000 720.0 1.472 1.472 1.104 0.000 -0.000 0.000 3/39000 730.0 1.451 1.451 1.089 0.000 -0.000 0.000 3/39000 740.0 1.432 1.432 1.074 0.000 -0.000 0.000 3/39000 750.0 1.412 1.412 1.060 0.000 -0.000 0.000 3/39000 760.0 1.394 1.394 1.046 0.000 -0.000 0.000 3/39000 770.0 1.375 1.375 1.033 0.000 -0.000 0.000 3/39000 780.0 1.358 1.358 1.020 0.000 -0.000 0.000 3/39000 790.0 1.340 1.340 1.007 0.000 -0.000 0.000 3/39000 800.0 1.323 1.323 0.994 0.000 -0.000 0.000 3/39000 810.0 1.307 1.307 0.982 0.000 -0.000 0.000 3/39000 820.0 1.291 1.291 0.970 0.000 -0.000 0.000 3/39000 830.0 1.275 1.275 0.959 0.000 -0.000 0.000 3/39000 840.0 1.260 1.260 0.948 0.000 -0.000 0.000 3/39000 850.0 1.245 1.245 0.936 0.000 -0.000 0.000 3/39000 860.0 1.231 1.231 0.926 0.000 -0.000 0.000 3/39000 870.0 1.216 1.216 0.915 0.000 -0.000 0.000 3/39000 880.0 1.202 1.202 0.905 0.000 -0.000 0.000 3/39000 890.0 1.189 1.189 0.895 0.000 -0.000 0.000 3/39000 900.0 1.176 1.176 0.885 0.000 -0.000 0.000 3/39000 910.0 1.163 1.163 0.875 0.000 -0.000 0.000 3/39000 920.0 1.150 1.150 0.866 0.000 -0.000 0.000 3/39000 930.0 1.138 1.138 0.856 0.000 -0.000 0.000 3/39000 940.0 1.125 1.125 0.847 0.000 -0.000 0.000 3/39000 950.0 1.113 1.113 0.839 0.000 -0.000 0.000 3/39000 960.0 1.102 1.102 0.830 0.000 -0.000 0.000 3/39000 970.0 1.090 1.090 0.821 0.000 -0.000 0.000 3/39000 980.0 1.079 1.079 0.813 0.000 -0.000 0.000 3/39000 990.0 1.068 1.068 0.805 0.000 -0.000 0.000 3/39000 1000.0 1.058 1.058 0.797 0.000 -0.000 0.000 3/39000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:39:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|