----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:50:03]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.339114353270903 -2.791542520000000 0.000000000000000 b 6.339114353270903 2.791542520000000 0.000000000000000 c -2.370500293461819 0.000000000000000 5.476770713633905 Atomic positions (fractional): *1 Nd 0.89849593431822 0.32042846040469 0.05666843254085 144.242 2 Nd 0.67957153959531 0.10150406568178 0.44333156745915 144.242 3 Nd 0.10150406568178 0.67957153959531 0.94333156745915 144.242 4 Nd 0.32042846040469 0.89849593431822 0.55666843254085 144.242 *5 O 0.00539338387387 0.61835789173746 0.27595275686977 15.999 6 O 0.38164210826254 0.99460661612614 0.22404724313023 15.999 7 O 0.99460661612613 0.38164210826254 0.72404724313023 15.999 8 O 0.61835789173746 0.00539338387386 0.77595275686977 15.999 *9 O 0.94425636077246 0.05574363922754 0.25000000000000 15.999 10 O 0.05574363922754 0.94425636077246 0.75000000000000 15.999 *11 O 0.27848730040726 0.52604276467051 0.32457656019501 15.999 12 O 0.47395723532949 0.72151269959274 0.17542343980499 15.999 13 O 0.72151269959274 0.47395723532949 0.67542343980499 15.999 14 O 0.52604276467051 0.27848730040726 0.82457656019501 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.678228706541805 0.000000000000000 0.000000000000000 b 0.000000000000000 5.583085039999999 0.000000000000000 c -2.370500293461819 0.000000000000000 5.476770713633905 Atomic positions (fractional): *1 Nd 0.60946219736145 0.71096626304324 0.05666843254085 144.242 > 1 2 Nd 0.89053780263855 0.21096626304324 0.44333156745915 144.242 > 2 3 Nd 0.89053780263855 0.78903373695676 0.94333156745915 144.242 > 3 4 Nd 0.60946219736145 0.28903373695676 0.55666843254085 144.242 > 4 5 Nd 0.10946219736145 0.21096626304324 0.05666843254085 144.242 > 1 6 Nd 0.39053780263855 0.71096626304324 0.44333156745915 144.242 > 2 7 Nd 0.39053780263855 0.28903373695676 0.94333156745915 144.242 > 3 8 Nd 0.10946219736145 0.78903373695676 0.55666843254085 144.242 > 4 *9 O 0.81187563780566 0.80648225393180 0.27595275686977 15.999 > 5 10 O 0.68812436219434 0.30648225393180 0.22404724313023 15.999 > 6 11 O 0.68812436219434 0.69351774606820 0.72404724313023 15.999 > 7 12 O 0.81187563780566 0.19351774606820 0.77595275686977 15.999 > 8 *13 O 0.00000000000000 0.05574363922754 0.25000000000000 15.999 > 9 14 O 0.00000000000000 0.94425636077246 0.75000000000000 15.999 > 10 *15 O 0.90226503253888 0.62377773213162 0.32457656019501 15.999 > 11 16 O 0.59773496746112 0.12377773213162 0.17542343980499 15.999 > 12 17 O 0.59773496746112 0.87622226786838 0.67542343980499 15.999 > 13 18 O 0.90226503253888 0.37622226786838 0.82457656019501 15.999 > 14 19 O 0.31187563780566 0.30648225393180 0.27595275686977 15.999 > 5 20 O 0.18812436219434 0.80648225393180 0.22404724313023 15.999 > 6 21 O 0.18812436219434 0.19351774606820 0.72404724313023 15.999 > 7 22 O 0.31187563780566 0.69351774606820 0.77595275686977 15.999 > 8 23 O 0.50000000000000 0.55574363922754 0.25000000000000 15.999 > 9 24 O 0.50000000000000 0.44425636077246 0.75000000000000 15.999 > 10 25 O 0.40226503253888 0.12377773213162 0.32457656019501 15.999 > 11 26 O 0.09773496746112 0.62377773213162 0.17542343980499 15.999 > 12 27 O 0.09773496746112 0.37622226786838 0.67542343980499 15.999 > 13 28 O 0.40226503253888 0.87622226786838 0.82457656019501 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.678228706541805 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166170079999999 0.000000000000000 c -4.741000586923638 0.000000000000000 10.953541427267810 Atomic positions (fractional): *1 Nd 0.60946219736145 0.35548313152162 0.02833421627042 144.242 > 1 2 Nd 0.60946219736145 0.85548313152162 0.02833421627042 144.242 > 1 3 Nd 0.60946219736145 0.35548313152162 0.52833421627042 144.242 > 1 4 Nd 0.60946219736145 0.85548313152162 0.52833421627042 144.242 > 1 5 Nd 0.89053780263855 0.10548313152162 0.22166578372958 144.242 > 2 6 Nd 0.89053780263855 0.60548313152162 0.22166578372958 144.242 > 2 7 Nd 0.89053780263855 0.10548313152162 0.72166578372958 144.242 > 2 8 Nd 0.89053780263855 0.60548313152162 0.72166578372958 144.242 > 2 9 Nd 0.89053780263855 0.39451686847838 0.47166578372958 144.242 > 3 10 Nd 0.89053780263855 0.89451686847838 0.47166578372958 144.242 > 3 11 Nd 0.89053780263855 0.39451686847838 0.97166578372958 144.242 > 3 12 Nd 0.89053780263855 0.89451686847838 0.97166578372958 144.242 > 3 13 Nd 0.60946219736145 0.14451686847838 0.27833421627042 144.242 > 4 14 Nd 0.60946219736145 0.64451686847838 0.27833421627042 144.242 > 4 15 Nd 0.60946219736145 0.14451686847838 0.77833421627042 144.242 > 4 16 Nd 0.60946219736145 0.64451686847838 0.77833421627042 144.242 > 4 17 Nd 0.10946219736145 0.10548313152162 0.02833421627042 144.242 > 1 18 Nd 0.10946219736145 0.60548313152162 0.02833421627042 144.242 > 1 19 Nd 0.10946219736145 0.10548313152162 0.52833421627042 144.242 > 1 20 Nd 0.10946219736145 0.60548313152162 0.52833421627042 144.242 > 1 21 Nd 0.39053780263855 0.35548313152162 0.22166578372958 144.242 > 2 22 Nd 0.39053780263855 0.85548313152162 0.22166578372958 144.242 > 2 23 Nd 0.39053780263855 0.35548313152162 0.72166578372958 144.242 > 2 24 Nd 0.39053780263855 0.85548313152162 0.72166578372958 144.242 > 2 25 Nd 0.39053780263855 0.14451686847838 0.47166578372958 144.242 > 3 26 Nd 0.39053780263855 0.64451686847838 0.47166578372958 144.242 > 3 27 Nd 0.39053780263855 0.14451686847838 0.97166578372958 144.242 > 3 28 Nd 0.39053780263855 0.64451686847838 0.97166578372958 144.242 > 3 29 Nd 0.10946219736145 0.39451686847838 0.27833421627042 144.242 > 4 30 Nd 0.10946219736145 0.89451686847838 0.27833421627042 144.242 > 4 31 Nd 0.10946219736145 0.39451686847838 0.77833421627042 144.242 > 4 32 Nd 0.10946219736145 0.89451686847838 0.77833421627042 144.242 > 4 *33 O 0.81187563780566 0.40324112696590 0.13797637843488 15.999 > 5 34 O 0.81187563780566 0.90324112696590 0.13797637843488 15.999 > 5 35 O 0.81187563780566 0.40324112696590 0.63797637843488 15.999 > 5 36 O 0.81187563780566 0.90324112696590 0.63797637843488 15.999 > 5 37 O 0.68812436219434 0.15324112696590 0.11202362156512 15.999 > 6 38 O 0.68812436219434 0.65324112696590 0.11202362156512 15.999 > 6 39 O 0.68812436219434 0.15324112696590 0.61202362156512 15.999 > 6 40 O 0.68812436219434 0.65324112696590 0.61202362156512 15.999 > 6 41 O 0.68812436219434 0.34675887303410 0.36202362156512 15.999 > 7 42 O 0.68812436219434 0.84675887303410 0.36202362156512 15.999 > 7 43 O 0.68812436219434 0.34675887303410 0.86202362156512 15.999 > 7 44 O 0.68812436219434 0.84675887303410 0.86202362156512 15.999 > 7 45 O 0.81187563780566 0.09675887303410 0.38797637843488 15.999 > 8 46 O 0.81187563780566 0.59675887303410 0.38797637843488 15.999 > 8 47 O 0.81187563780566 0.09675887303410 0.88797637843488 15.999 > 8 48 O 0.81187563780566 0.59675887303410 0.88797637843488 15.999 > 8 *49 O 0.00000000000000 0.02787181961377 0.12500000000000 15.999 > 9 50 O 0.00000000000000 0.52787181961377 0.12500000000000 15.999 > 9 51 O 0.00000000000000 0.02787181961377 0.62500000000000 15.999 > 9 52 O 0.00000000000000 0.52787181961377 0.62500000000000 15.999 > 9 53 O 0.00000000000000 0.47212818038623 0.37500000000000 15.999 > 10 54 O 0.00000000000000 0.97212818038623 0.37500000000000 15.999 > 10 55 O 0.00000000000000 0.47212818038623 0.87500000000000 15.999 > 10 56 O 0.00000000000000 0.97212818038623 0.87500000000000 15.999 > 10 *57 O 0.90226503253888 0.31188886606581 0.16228828009751 15.999 > 11 58 O 0.90226503253888 0.81188886606581 0.16228828009751 15.999 > 11 59 O 0.90226503253888 0.31188886606581 0.66228828009751 15.999 > 11 60 O 0.90226503253888 0.81188886606581 0.66228828009751 15.999 > 11 61 O 0.59773496746112 0.06188886606581 0.08771171990249 15.999 > 12 62 O 0.59773496746112 0.56188886606581 0.08771171990249 15.999 > 12 63 O 0.59773496746112 0.06188886606581 0.58771171990249 15.999 > 12 64 O 0.59773496746112 0.56188886606581 0.58771171990249 15.999 > 12 65 O 0.59773496746112 0.43811113393419 0.33771171990249 15.999 > 13 66 O 0.59773496746112 0.93811113393419 0.33771171990249 15.999 > 13 67 O 0.59773496746112 0.43811113393419 0.83771171990249 15.999 > 13 68 O 0.59773496746112 0.93811113393419 0.83771171990249 15.999 > 13 69 O 0.90226503253888 0.18811113393419 0.41228828009751 15.999 > 14 70 O 0.90226503253888 0.68811113393419 0.41228828009751 15.999 > 14 71 O 0.90226503253888 0.18811113393419 0.91228828009751 15.999 > 14 72 O 0.90226503253888 0.68811113393419 0.91228828009751 15.999 > 14 73 O 0.31187563780566 0.15324112696590 0.13797637843488 15.999 > 5 74 O 0.31187563780566 0.65324112696590 0.13797637843488 15.999 > 5 75 O 0.31187563780566 0.15324112696590 0.63797637843488 15.999 > 5 76 O 0.31187563780566 0.65324112696590 0.63797637843488 15.999 > 5 77 O 0.18812436219434 0.40324112696590 0.11202362156512 15.999 > 6 78 O 0.18812436219434 0.90324112696590 0.11202362156512 15.999 > 6 79 O 0.18812436219434 0.40324112696590 0.61202362156512 15.999 > 6 80 O 0.18812436219434 0.90324112696590 0.61202362156512 15.999 > 6 81 O 0.18812436219434 0.09675887303410 0.36202362156512 15.999 > 7 82 O 0.18812436219434 0.59675887303410 0.36202362156512 15.999 > 7 83 O 0.18812436219434 0.09675887303410 0.86202362156512 15.999 > 7 84 O 0.18812436219434 0.59675887303410 0.86202362156512 15.999 > 7 85 O 0.31187563780566 0.34675887303410 0.38797637843488 15.999 > 8 86 O 0.31187563780566 0.84675887303410 0.38797637843488 15.999 > 8 87 O 0.31187563780566 0.34675887303410 0.88797637843488 15.999 > 8 88 O 0.31187563780566 0.84675887303410 0.88797637843488 15.999 > 8 89 O 0.50000000000000 0.27787181961377 0.12500000000000 15.999 > 9 90 O 0.50000000000000 0.77787181961377 0.12500000000000 15.999 > 9 91 O 0.50000000000000 0.27787181961377 0.62500000000000 15.999 > 9 92 O 0.50000000000000 0.77787181961377 0.62500000000000 15.999 > 9 93 O 0.50000000000000 0.22212818038623 0.37500000000000 15.999 > 10 94 O 0.50000000000000 0.72212818038623 0.37500000000000 15.999 > 10 95 O 0.50000000000000 0.22212818038623 0.87500000000000 15.999 > 10 96 O 0.50000000000000 0.72212818038623 0.87500000000000 15.999 > 10 97 O 0.40226503253888 0.06188886606581 0.16228828009751 15.999 > 11 98 O 0.40226503253888 0.56188886606581 0.16228828009751 15.999 > 11 99 O 0.40226503253888 0.06188886606581 0.66228828009751 15.999 > 11 100 O 0.40226503253888 0.56188886606581 0.66228828009751 15.999 > 11 101 O 0.09773496746112 0.31188886606581 0.08771171990249 15.999 > 12 102 O 0.09773496746112 0.81188886606581 0.08771171990249 15.999 > 12 103 O 0.09773496746112 0.31188886606581 0.58771171990249 15.999 > 12 104 O 0.09773496746112 0.81188886606581 0.58771171990249 15.999 > 12 105 O 0.09773496746112 0.18811113393419 0.33771171990249 15.999 > 13 106 O 0.09773496746112 0.68811113393419 0.33771171990249 15.999 > 13 107 O 0.09773496746112 0.18811113393419 0.83771171990249 15.999 > 13 108 O 0.09773496746112 0.68811113393419 0.83771171990249 15.999 > 13 109 O 0.40226503253888 0.43811113393419 0.41228828009751 15.999 > 14 110 O 0.40226503253888 0.93811113393419 0.41228828009751 15.999 > 14 111 O 0.40226503253888 0.43811113393419 0.91228828009751 15.999 > 14 112 O 0.40226503253888 0.93811113393419 0.91228828009751 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3068365 0.0000000 0.0637625 0.0000000 4.2156645 0.0000000 0.0637647 0.0000000 4.0651639 -------------------------- Born effective charges -------------------------- 1 Nd 3.8867245 0.6268230 -0.1699604 0.5131389 3.7619673 -0.1275282 -0.2285346 0.0634534 3.8793958 2 Nd 3.8867245 -0.6268230 -0.1699604 -0.5131389 3.7619673 0.1275282 -0.2285346 -0.0634534 3.8793958 3 Nd 3.8867245 0.6268230 -0.1699604 0.5131389 3.7619673 -0.1275282 -0.2285346 0.0634534 3.8793958 4 Nd 3.8867245 -0.6268230 -0.1699604 -0.5131389 3.7619673 0.1275282 -0.2285346 -0.0634534 3.8793958 5 O -1.6925469 -0.2513363 -0.0823874 -0.2062911 -1.1331814 -0.2105044 -0.1520546 -0.2708209 -1.2353047 6 O -1.6925469 0.2513363 -0.0823874 0.2062911 -1.1331814 0.2105044 -0.1520546 0.2708209 -1.2353047 7 O -1.6925469 -0.2513363 -0.0823874 -0.2062911 -1.1331814 -0.2105044 -0.1520546 -0.2708209 -1.2353047 8 O -1.6925469 0.2513363 -0.0823874 0.2062911 -1.1331814 0.2105044 -0.1520546 0.2708209 -1.2353047 9 O -2.5084466 0.0000000 0.5383427 0.0000000 -2.1142511 0.0000000 0.6700829 0.0000000 -2.6937076 10 O -2.5084466 0.0000000 0.5383427 0.0000000 -2.1142511 0.0000000 0.6700829 0.0000000 -2.6937076 11 O -0.9399544 -0.2800712 -0.0168236 -0.3936721 -1.5716604 0.3472132 0.0455477 0.3343579 -1.2972373 12 O -0.9399544 0.2800712 -0.0168236 0.3936721 -1.5716604 -0.3472132 0.0455477 -0.3343579 -1.2972373 13 O -0.9399544 -0.2800712 -0.0168236 -0.3936721 -1.5716604 0.3472132 0.0455477 0.3343579 -1.2972373 14 O -0.9399544 0.2800712 -0.0168236 0.3936721 -1.5716604 -0.3472132 0.0455477 -0.3343579 -1.2972373 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 9312/9312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1819), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 389), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.009 Solver_block: 200 / 480 - Time: 3.057 Solver_block: 300 / 480 - Time: 3.046 Solver_block: 400 / 480 - Time: 3.041 Solver_block: 480 / 480 - Time: 2.470 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.671 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 9312/9312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1819), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 389), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:50:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:50:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.339114353270903 -2.791542520000000 0.000000000000000 b 6.339114353270903 2.791542520000000 0.000000000000000 c -2.370500293461819 0.000000000000000 5.476770713633905 Atomic positions (fractional): 1 Nd 0.89849593431822 0.32042846040469 0.05666843254085 144.242 2 Nd 0.67957153959531 0.10150406568178 0.44333156745915 144.242 3 Nd 0.10150406568178 0.67957153959531 0.94333156745915 144.242 4 Nd 0.32042846040469 0.89849593431822 0.55666843254085 144.242 5 O 0.00539338387387 0.61835789173746 0.27595275686977 15.999 6 O 0.38164210826254 0.99460661612614 0.22404724313023 15.999 7 O 0.99460661612613 0.38164210826254 0.72404724313023 15.999 8 O 0.61835789173746 0.00539338387386 0.77595275686977 15.999 9 O 0.94425636077246 0.05574363922754 0.25000000000000 15.999 10 O 0.05574363922754 0.94425636077246 0.75000000000000 15.999 11 O 0.27848730040726 0.52604276467051 0.32457656019501 15.999 12 O 0.47395723532949 0.72151269959274 0.17542343980499 15.999 13 O 0.72151269959274 0.47395723532949 0.67542343980499 15.999 14 O 0.52604276467051 0.27848730040726 0.82457656019501 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.678228706541805 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166170079999999 0.000000000000000 c -4.741000586923638 0.000000000000000 10.953541427267810 Atomic positions (fractional): 1 Nd 0.60946219736145 0.35548313152162 0.02833421627042 144.242 > 1 2 Nd 0.60946219736145 0.85548313152162 0.02833421627042 144.242 > 1 3 Nd 0.60946219736145 0.35548313152162 0.52833421627042 144.242 > 1 4 Nd 0.60946219736145 0.85548313152162 0.52833421627042 144.242 > 1 5 Nd 0.89053780263855 0.10548313152162 0.22166578372958 144.242 > 5 6 Nd 0.89053780263855 0.60548313152162 0.22166578372958 144.242 > 5 7 Nd 0.89053780263855 0.10548313152162 0.72166578372958 144.242 > 5 8 Nd 0.89053780263855 0.60548313152162 0.72166578372958 144.242 > 5 9 Nd 0.89053780263855 0.39451686847838 0.47166578372958 144.242 > 9 10 Nd 0.89053780263855 0.89451686847838 0.47166578372958 144.242 > 9 11 Nd 0.89053780263855 0.39451686847838 0.97166578372958 144.242 > 9 12 Nd 0.89053780263855 0.89451686847838 0.97166578372958 144.242 > 9 13 Nd 0.60946219736145 0.14451686847838 0.27833421627042 144.242 > 13 14 Nd 0.60946219736145 0.64451686847838 0.27833421627042 144.242 > 13 15 Nd 0.60946219736145 0.14451686847838 0.77833421627042 144.242 > 13 16 Nd 0.60946219736145 0.64451686847838 0.77833421627042 144.242 > 13 17 Nd 0.10946219736145 0.10548313152162 0.02833421627042 144.242 > 1 18 Nd 0.10946219736145 0.60548313152162 0.02833421627042 144.242 > 1 19 Nd 0.10946219736145 0.10548313152162 0.52833421627042 144.242 > 1 20 Nd 0.10946219736145 0.60548313152162 0.52833421627042 144.242 > 1 21 Nd 0.39053780263855 0.35548313152162 0.22166578372958 144.242 > 5 22 Nd 0.39053780263855 0.85548313152162 0.22166578372958 144.242 > 5 23 Nd 0.39053780263855 0.35548313152162 0.72166578372958 144.242 > 5 24 Nd 0.39053780263855 0.85548313152162 0.72166578372958 144.242 > 5 25 Nd 0.39053780263855 0.14451686847838 0.47166578372958 144.242 > 9 26 Nd 0.39053780263855 0.64451686847838 0.47166578372958 144.242 > 9 27 Nd 0.39053780263855 0.14451686847838 0.97166578372958 144.242 > 9 28 Nd 0.39053780263855 0.64451686847838 0.97166578372958 144.242 > 9 29 Nd 0.10946219736145 0.39451686847838 0.27833421627042 144.242 > 13 30 Nd 0.10946219736145 0.89451686847838 0.27833421627042 144.242 > 13 31 Nd 0.10946219736145 0.39451686847838 0.77833421627042 144.242 > 13 32 Nd 0.10946219736145 0.89451686847838 0.77833421627042 144.242 > 13 33 O 0.81187563780566 0.40324112696590 0.13797637843488 15.999 > 33 34 O 0.81187563780566 0.90324112696590 0.13797637843488 15.999 > 33 35 O 0.81187563780566 0.40324112696590 0.63797637843488 15.999 > 33 36 O 0.81187563780566 0.90324112696590 0.63797637843488 15.999 > 33 37 O 0.68812436219434 0.15324112696590 0.11202362156512 15.999 > 37 38 O 0.68812436219434 0.65324112696590 0.11202362156512 15.999 > 37 39 O 0.68812436219434 0.15324112696590 0.61202362156512 15.999 > 37 40 O 0.68812436219434 0.65324112696590 0.61202362156512 15.999 > 37 41 O 0.68812436219434 0.34675887303410 0.36202362156512 15.999 > 41 42 O 0.68812436219434 0.84675887303410 0.36202362156512 15.999 > 41 43 O 0.68812436219434 0.34675887303410 0.86202362156512 15.999 > 41 44 O 0.68812436219434 0.84675887303410 0.86202362156512 15.999 > 41 45 O 0.81187563780566 0.09675887303410 0.38797637843488 15.999 > 45 46 O 0.81187563780566 0.59675887303410 0.38797637843488 15.999 > 45 47 O 0.81187563780566 0.09675887303410 0.88797637843488 15.999 > 45 48 O 0.81187563780566 0.59675887303410 0.88797637843488 15.999 > 45 49 O 0.00000000000000 0.02787181961377 0.12500000000000 15.999 > 49 50 O 0.00000000000000 0.52787181961377 0.12500000000000 15.999 > 49 51 O 0.00000000000000 0.02787181961377 0.62500000000000 15.999 > 49 52 O 0.00000000000000 0.52787181961377 0.62500000000000 15.999 > 49 53 O 0.00000000000000 0.47212818038623 0.37500000000000 15.999 > 53 54 O 0.00000000000000 0.97212818038623 0.37500000000000 15.999 > 53 55 O 0.00000000000000 0.47212818038623 0.87500000000000 15.999 > 53 56 O 0.00000000000000 0.97212818038623 0.87500000000000 15.999 > 53 57 O 0.90226503253888 0.31188886606581 0.16228828009751 15.999 > 57 58 O 0.90226503253888 0.81188886606581 0.16228828009751 15.999 > 57 59 O 0.90226503253888 0.31188886606581 0.66228828009751 15.999 > 57 60 O 0.90226503253888 0.81188886606581 0.66228828009751 15.999 > 57 61 O 0.59773496746112 0.06188886606581 0.08771171990249 15.999 > 61 62 O 0.59773496746112 0.56188886606581 0.08771171990249 15.999 > 61 63 O 0.59773496746112 0.06188886606581 0.58771171990249 15.999 > 61 64 O 0.59773496746112 0.56188886606581 0.58771171990249 15.999 > 61 65 O 0.59773496746112 0.43811113393419 0.33771171990249 15.999 > 65 66 O 0.59773496746112 0.93811113393419 0.33771171990249 15.999 > 65 67 O 0.59773496746112 0.43811113393419 0.83771171990249 15.999 > 65 68 O 0.59773496746112 0.93811113393419 0.83771171990249 15.999 > 65 69 O 0.90226503253888 0.18811113393419 0.41228828009751 15.999 > 69 70 O 0.90226503253888 0.68811113393419 0.41228828009751 15.999 > 69 71 O 0.90226503253888 0.18811113393419 0.91228828009751 15.999 > 69 72 O 0.90226503253888 0.68811113393419 0.91228828009751 15.999 > 69 73 O 0.31187563780566 0.15324112696590 0.13797637843488 15.999 > 33 74 O 0.31187563780566 0.65324112696590 0.13797637843488 15.999 > 33 75 O 0.31187563780566 0.15324112696590 0.63797637843488 15.999 > 33 76 O 0.31187563780566 0.65324112696590 0.63797637843488 15.999 > 33 77 O 0.18812436219434 0.40324112696590 0.11202362156512 15.999 > 37 78 O 0.18812436219434 0.90324112696590 0.11202362156512 15.999 > 37 79 O 0.18812436219434 0.40324112696590 0.61202362156512 15.999 > 37 80 O 0.18812436219434 0.90324112696590 0.61202362156512 15.999 > 37 81 O 0.18812436219434 0.09675887303410 0.36202362156512 15.999 > 41 82 O 0.18812436219434 0.59675887303410 0.36202362156512 15.999 > 41 83 O 0.18812436219434 0.09675887303410 0.86202362156512 15.999 > 41 84 O 0.18812436219434 0.59675887303410 0.86202362156512 15.999 > 41 85 O 0.31187563780566 0.34675887303410 0.38797637843488 15.999 > 45 86 O 0.31187563780566 0.84675887303410 0.38797637843488 15.999 > 45 87 O 0.31187563780566 0.34675887303410 0.88797637843488 15.999 > 45 88 O 0.31187563780566 0.84675887303410 0.88797637843488 15.999 > 45 89 O 0.50000000000000 0.27787181961377 0.12500000000000 15.999 > 49 90 O 0.50000000000000 0.77787181961377 0.12500000000000 15.999 > 49 91 O 0.50000000000000 0.27787181961377 0.62500000000000 15.999 > 49 92 O 0.50000000000000 0.77787181961377 0.62500000000000 15.999 > 49 93 O 0.50000000000000 0.22212818038623 0.37500000000000 15.999 > 53 94 O 0.50000000000000 0.72212818038623 0.37500000000000 15.999 > 53 95 O 0.50000000000000 0.22212818038623 0.87500000000000 15.999 > 53 96 O 0.50000000000000 0.72212818038623 0.87500000000000 15.999 > 53 97 O 0.40226503253888 0.06188886606581 0.16228828009751 15.999 > 57 98 O 0.40226503253888 0.56188886606581 0.16228828009751 15.999 > 57 99 O 0.40226503253888 0.06188886606581 0.66228828009751 15.999 > 57 100 O 0.40226503253888 0.56188886606581 0.66228828009751 15.999 > 57 101 O 0.09773496746112 0.31188886606581 0.08771171990249 15.999 > 61 102 O 0.09773496746112 0.81188886606581 0.08771171990249 15.999 > 61 103 O 0.09773496746112 0.31188886606581 0.58771171990249 15.999 > 61 104 O 0.09773496746112 0.81188886606581 0.58771171990249 15.999 > 61 105 O 0.09773496746112 0.18811113393419 0.33771171990249 15.999 > 65 106 O 0.09773496746112 0.68811113393419 0.33771171990249 15.999 > 65 107 O 0.09773496746112 0.18811113393419 0.83771171990249 15.999 > 65 108 O 0.09773496746112 0.68811113393419 0.83771171990249 15.999 > 65 109 O 0.40226503253888 0.43811113393419 0.41228828009751 15.999 > 69 110 O 0.40226503253888 0.93811113393419 0.41228828009751 15.999 > 69 111 O 0.40226503253888 0.43811113393419 0.91228828009751 15.999 > 69 112 O 0.40226503253888 0.93811113393419 0.91228828009751 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3068365 0.0000000 0.0637625 0.0000000 4.2156645 0.0000000 0.0637647 0.0000000 4.0651639 -------------------------- Born effective charges -------------------------- 1 Nd 3.8867245 0.6268230 -0.1699604 0.5131389 3.7619673 -0.1275282 -0.2285346 0.0634534 3.8793958 2 Nd 3.8867245 -0.6268230 -0.1699604 -0.5131389 3.7619673 0.1275282 -0.2285346 -0.0634534 3.8793958 3 Nd 3.8867245 0.6268230 -0.1699604 0.5131389 3.7619673 -0.1275282 -0.2285346 0.0634534 3.8793958 4 Nd 3.8867245 -0.6268230 -0.1699604 -0.5131389 3.7619673 0.1275282 -0.2285346 -0.0634534 3.8793958 5 O -1.6925469 -0.2513363 -0.0823874 -0.2062911 -1.1331814 -0.2105044 -0.1520546 -0.2708209 -1.2353047 6 O -1.6925469 0.2513363 -0.0823874 0.2062911 -1.1331814 0.2105044 -0.1520546 0.2708209 -1.2353047 7 O -1.6925469 -0.2513363 -0.0823874 -0.2062911 -1.1331814 -0.2105044 -0.1520546 -0.2708209 -1.2353047 8 O -1.6925469 0.2513363 -0.0823874 0.2062911 -1.1331814 0.2105044 -0.1520546 0.2708209 -1.2353047 9 O -2.5084466 0.0000000 0.5383427 0.0000000 -2.1142511 0.0000000 0.6700829 0.0000000 -2.6937076 10 O -2.5084466 0.0000000 0.5383427 0.0000000 -2.1142511 0.0000000 0.6700829 0.0000000 -2.6937076 11 O -0.9399544 -0.2800712 -0.0168236 -0.3936721 -1.5716604 0.3472132 0.0455477 0.3343579 -1.2972373 12 O -0.9399544 0.2800712 -0.0168236 0.3936721 -1.5716604 -0.3472132 0.0455477 -0.3343579 -1.2972373 13 O -0.9399544 -0.2800712 -0.0168236 -0.3936721 -1.5716604 0.3472132 0.0455477 0.3343579 -1.2972373 14 O -0.9399544 0.2800712 -0.0168236 0.3936721 -1.5716604 -0.3472132 0.0455477 -0.3343579 -1.2972373 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xyx) 0.00000004 (xyx) 0.00000004 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) 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 2026-01-09 04:50:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:50:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.339114353270903 -2.791542520000000 0.000000000000000 b 6.339114353270903 2.791542520000000 0.000000000000000 c -2.370500293461819 0.000000000000000 5.476770713633905 Atomic positions (fractional): 1 Nd 0.89849593431822 0.32042846040469 0.05666843254085 144.242 2 Nd 0.67957153959531 0.10150406568178 0.44333156745915 144.242 3 Nd 0.10150406568178 0.67957153959531 0.94333156745915 144.242 4 Nd 0.32042846040469 0.89849593431822 0.55666843254085 144.242 5 O 0.00539338387387 0.61835789173746 0.27595275686977 15.999 6 O 0.38164210826254 0.99460661612614 0.22404724313023 15.999 7 O 0.99460661612613 0.38164210826254 0.72404724313023 15.999 8 O 0.61835789173746 0.00539338387386 0.77595275686977 15.999 9 O 0.94425636077246 0.05574363922754 0.25000000000000 15.999 10 O 0.05574363922754 0.94425636077246 0.75000000000000 15.999 11 O 0.27848730040726 0.52604276467051 0.32457656019501 15.999 12 O 0.47395723532949 0.72151269959274 0.17542343980499 15.999 13 O 0.72151269959274 0.47395723532949 0.67542343980499 15.999 14 O 0.52604276467051 0.27848730040726 0.82457656019501 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.678228706541805 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166170079999999 0.000000000000000 c -4.741000586923638 0.000000000000000 10.953541427267810 Atomic positions (fractional): 1 Nd 0.60946219736145 0.35548313152162 0.02833421627042 144.242 > 1 2 Nd 0.60946219736145 0.85548313152162 0.02833421627042 144.242 > 1 3 Nd 0.60946219736145 0.35548313152162 0.52833421627042 144.242 > 1 4 Nd 0.60946219736145 0.85548313152162 0.52833421627042 144.242 > 1 5 Nd 0.89053780263855 0.10548313152162 0.22166578372958 144.242 > 5 6 Nd 0.89053780263855 0.60548313152162 0.22166578372958 144.242 > 5 7 Nd 0.89053780263855 0.10548313152162 0.72166578372958 144.242 > 5 8 Nd 0.89053780263855 0.60548313152162 0.72166578372958 144.242 > 5 9 Nd 0.89053780263855 0.39451686847838 0.47166578372958 144.242 > 9 10 Nd 0.89053780263855 0.89451686847838 0.47166578372958 144.242 > 9 11 Nd 0.89053780263855 0.39451686847838 0.97166578372958 144.242 > 9 12 Nd 0.89053780263855 0.89451686847838 0.97166578372958 144.242 > 9 13 Nd 0.60946219736145 0.14451686847838 0.27833421627042 144.242 > 13 14 Nd 0.60946219736145 0.64451686847838 0.27833421627042 144.242 > 13 15 Nd 0.60946219736145 0.14451686847838 0.77833421627042 144.242 > 13 16 Nd 0.60946219736145 0.64451686847838 0.77833421627042 144.242 > 13 17 Nd 0.10946219736145 0.10548313152162 0.02833421627042 144.242 > 1 18 Nd 0.10946219736145 0.60548313152162 0.02833421627042 144.242 > 1 19 Nd 0.10946219736145 0.10548313152162 0.52833421627042 144.242 > 1 20 Nd 0.10946219736145 0.60548313152162 0.52833421627042 144.242 > 1 21 Nd 0.39053780263855 0.35548313152162 0.22166578372958 144.242 > 5 22 Nd 0.39053780263855 0.85548313152162 0.22166578372958 144.242 > 5 23 Nd 0.39053780263855 0.35548313152162 0.72166578372958 144.242 > 5 24 Nd 0.39053780263855 0.85548313152162 0.72166578372958 144.242 > 5 25 Nd 0.39053780263855 0.14451686847838 0.47166578372958 144.242 > 9 26 Nd 0.39053780263855 0.64451686847838 0.47166578372958 144.242 > 9 27 Nd 0.39053780263855 0.14451686847838 0.97166578372958 144.242 > 9 28 Nd 0.39053780263855 0.64451686847838 0.97166578372958 144.242 > 9 29 Nd 0.10946219736145 0.39451686847838 0.27833421627042 144.242 > 13 30 Nd 0.10946219736145 0.89451686847838 0.27833421627042 144.242 > 13 31 Nd 0.10946219736145 0.39451686847838 0.77833421627042 144.242 > 13 32 Nd 0.10946219736145 0.89451686847838 0.77833421627042 144.242 > 13 33 O 0.81187563780566 0.40324112696590 0.13797637843488 15.999 > 33 34 O 0.81187563780566 0.90324112696590 0.13797637843488 15.999 > 33 35 O 0.81187563780566 0.40324112696590 0.63797637843488 15.999 > 33 36 O 0.81187563780566 0.90324112696590 0.63797637843488 15.999 > 33 37 O 0.68812436219434 0.15324112696590 0.11202362156512 15.999 > 37 38 O 0.68812436219434 0.65324112696590 0.11202362156512 15.999 > 37 39 O 0.68812436219434 0.15324112696590 0.61202362156512 15.999 > 37 40 O 0.68812436219434 0.65324112696590 0.61202362156512 15.999 > 37 41 O 0.68812436219434 0.34675887303410 0.36202362156512 15.999 > 41 42 O 0.68812436219434 0.84675887303410 0.36202362156512 15.999 > 41 43 O 0.68812436219434 0.34675887303410 0.86202362156512 15.999 > 41 44 O 0.68812436219434 0.84675887303410 0.86202362156512 15.999 > 41 45 O 0.81187563780566 0.09675887303410 0.38797637843488 15.999 > 45 46 O 0.81187563780566 0.59675887303410 0.38797637843488 15.999 > 45 47 O 0.81187563780566 0.09675887303410 0.88797637843488 15.999 > 45 48 O 0.81187563780566 0.59675887303410 0.88797637843488 15.999 > 45 49 O 0.00000000000000 0.02787181961377 0.12500000000000 15.999 > 49 50 O 0.00000000000000 0.52787181961377 0.12500000000000 15.999 > 49 51 O 0.00000000000000 0.02787181961377 0.62500000000000 15.999 > 49 52 O 0.00000000000000 0.52787181961377 0.62500000000000 15.999 > 49 53 O 0.00000000000000 0.47212818038623 0.37500000000000 15.999 > 53 54 O 0.00000000000000 0.97212818038623 0.37500000000000 15.999 > 53 55 O 0.00000000000000 0.47212818038623 0.87500000000000 15.999 > 53 56 O 0.00000000000000 0.97212818038623 0.87500000000000 15.999 > 53 57 O 0.90226503253888 0.31188886606581 0.16228828009751 15.999 > 57 58 O 0.90226503253888 0.81188886606581 0.16228828009751 15.999 > 57 59 O 0.90226503253888 0.31188886606581 0.66228828009751 15.999 > 57 60 O 0.90226503253888 0.81188886606581 0.66228828009751 15.999 > 57 61 O 0.59773496746112 0.06188886606581 0.08771171990249 15.999 > 61 62 O 0.59773496746112 0.56188886606581 0.08771171990249 15.999 > 61 63 O 0.59773496746112 0.06188886606581 0.58771171990249 15.999 > 61 64 O 0.59773496746112 0.56188886606581 0.58771171990249 15.999 > 61 65 O 0.59773496746112 0.43811113393419 0.33771171990249 15.999 > 65 66 O 0.59773496746112 0.93811113393419 0.33771171990249 15.999 > 65 67 O 0.59773496746112 0.43811113393419 0.83771171990249 15.999 > 65 68 O 0.59773496746112 0.93811113393419 0.83771171990249 15.999 > 65 69 O 0.90226503253888 0.18811113393419 0.41228828009751 15.999 > 69 70 O 0.90226503253888 0.68811113393419 0.41228828009751 15.999 > 69 71 O 0.90226503253888 0.18811113393419 0.91228828009751 15.999 > 69 72 O 0.90226503253888 0.68811113393419 0.91228828009751 15.999 > 69 73 O 0.31187563780566 0.15324112696590 0.13797637843488 15.999 > 33 74 O 0.31187563780566 0.65324112696590 0.13797637843488 15.999 > 33 75 O 0.31187563780566 0.15324112696590 0.63797637843488 15.999 > 33 76 O 0.31187563780566 0.65324112696590 0.63797637843488 15.999 > 33 77 O 0.18812436219434 0.40324112696590 0.11202362156512 15.999 > 37 78 O 0.18812436219434 0.90324112696590 0.11202362156512 15.999 > 37 79 O 0.18812436219434 0.40324112696590 0.61202362156512 15.999 > 37 80 O 0.18812436219434 0.90324112696590 0.61202362156512 15.999 > 37 81 O 0.18812436219434 0.09675887303410 0.36202362156512 15.999 > 41 82 O 0.18812436219434 0.59675887303410 0.36202362156512 15.999 > 41 83 O 0.18812436219434 0.09675887303410 0.86202362156512 15.999 > 41 84 O 0.18812436219434 0.59675887303410 0.86202362156512 15.999 > 41 85 O 0.31187563780566 0.34675887303410 0.38797637843488 15.999 > 45 86 O 0.31187563780566 0.84675887303410 0.38797637843488 15.999 > 45 87 O 0.31187563780566 0.34675887303410 0.88797637843488 15.999 > 45 88 O 0.31187563780566 0.84675887303410 0.88797637843488 15.999 > 45 89 O 0.50000000000000 0.27787181961377 0.12500000000000 15.999 > 49 90 O 0.50000000000000 0.77787181961377 0.12500000000000 15.999 > 49 91 O 0.50000000000000 0.27787181961377 0.62500000000000 15.999 > 49 92 O 0.50000000000000 0.77787181961377 0.62500000000000 15.999 > 49 93 O 0.50000000000000 0.22212818038623 0.37500000000000 15.999 > 53 94 O 0.50000000000000 0.72212818038623 0.37500000000000 15.999 > 53 95 O 0.50000000000000 0.22212818038623 0.87500000000000 15.999 > 53 96 O 0.50000000000000 0.72212818038623 0.87500000000000 15.999 > 53 97 O 0.40226503253888 0.06188886606581 0.16228828009751 15.999 > 57 98 O 0.40226503253888 0.56188886606581 0.16228828009751 15.999 > 57 99 O 0.40226503253888 0.06188886606581 0.66228828009751 15.999 > 57 100 O 0.40226503253888 0.56188886606581 0.66228828009751 15.999 > 57 101 O 0.09773496746112 0.31188886606581 0.08771171990249 15.999 > 61 102 O 0.09773496746112 0.81188886606581 0.08771171990249 15.999 > 61 103 O 0.09773496746112 0.31188886606581 0.58771171990249 15.999 > 61 104 O 0.09773496746112 0.81188886606581 0.58771171990249 15.999 > 61 105 O 0.09773496746112 0.18811113393419 0.33771171990249 15.999 > 65 106 O 0.09773496746112 0.68811113393419 0.33771171990249 15.999 > 65 107 O 0.09773496746112 0.18811113393419 0.83771171990249 15.999 > 65 108 O 0.09773496746112 0.68811113393419 0.83771171990249 15.999 > 65 109 O 0.40226503253888 0.43811113393419 0.41228828009751 15.999 > 69 110 O 0.40226503253888 0.93811113393419 0.41228828009751 15.999 > 69 111 O 0.40226503253888 0.43811113393419 0.91228828009751 15.999 > 69 112 O 0.40226503253888 0.93811113393419 0.91228828009751 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3068365 0.0000000 0.0637625 0.0000000 4.2156645 0.0000000 0.0637647 0.0000000 4.0651639 -------------------------- Born effective charges -------------------------- 1 Nd 3.8867245 0.6268230 -0.1699604 0.5131389 3.7619673 -0.1275282 -0.2285346 0.0634534 3.8793958 2 Nd 3.8867245 -0.6268230 -0.1699604 -0.5131389 3.7619673 0.1275282 -0.2285346 -0.0634534 3.8793958 3 Nd 3.8867245 0.6268230 -0.1699604 0.5131389 3.7619673 -0.1275282 -0.2285346 0.0634534 3.8793958 4 Nd 3.8867245 -0.6268230 -0.1699604 -0.5131389 3.7619673 0.1275282 -0.2285346 -0.0634534 3.8793958 5 O -1.6925469 -0.2513363 -0.0823874 -0.2062911 -1.1331814 -0.2105044 -0.1520546 -0.2708209 -1.2353047 6 O -1.6925469 0.2513363 -0.0823874 0.2062911 -1.1331814 0.2105044 -0.1520546 0.2708209 -1.2353047 7 O -1.6925469 -0.2513363 -0.0823874 -0.2062911 -1.1331814 -0.2105044 -0.1520546 -0.2708209 -1.2353047 8 O -1.6925469 0.2513363 -0.0823874 0.2062911 -1.1331814 0.2105044 -0.1520546 0.2708209 -1.2353047 9 O -2.5084466 0.0000000 0.5383427 0.0000000 -2.1142511 0.0000000 0.6700829 0.0000000 -2.6937076 10 O -2.5084466 0.0000000 0.5383427 0.0000000 -2.1142511 0.0000000 0.6700829 0.0000000 -2.6937076 11 O -0.9399544 -0.2800712 -0.0168236 -0.3936721 -1.5716604 0.3472132 0.0455477 0.3343579 -1.2972373 12 O -0.9399544 0.2800712 -0.0168236 0.3936721 -1.5716604 -0.3472132 0.0455477 -0.3343579 -1.2972373 13 O -0.9399544 -0.2800712 -0.0168236 -0.3936721 -1.5716604 0.3472132 0.0455477 0.3343579 -1.2972373 14 O -0.9399544 0.2800712 -0.0168236 0.3936721 -1.5716604 -0.3472132 0.0455477 -0.3343579 -1.2972373 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xyx) 0.00000004 (xyx) 0.00000004 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/251) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 8.110 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.450 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.433 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 11.998 ( 0.000 0.000 0.000) 0.000 12.403 ( 0.000 0.000 0.000) 0.000 12.470 ( 0.000 0.000 0.000) 0.000 12.954 ( 0.000 0.000 0.000) 0.000 13.871 ( 0.000 0.000 0.000) 0.000 15.246 ( 0.000 0.000 0.000) 0.000 16.279 ( 0.000 0.000 0.000) 0.000 26.516 ( 0.000 0.000 0.000) 0.000 26.609 ( 0.000 0.000 0.000) 0.000 26.827 ( 0.000 0.000 0.000) 0.000 26.919 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/251) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 13.651 -23.931 4.683) 27.946 0.592 ( 9.712 -27.602 4.863) 29.662 1.119 ( 20.331 -50.652 9.101) 55.333 2.830 ( -3.341 -7.662 -0.211) 8.362 3.575 ( -3.818 -0.229 0.496) 3.857 3.731 ( -1.450 1.408 -2.098) 2.913 3.969 ( -0.901 -1.783 4.811) 5.210 4.016 ( -2.802 -2.102 -4.048) 5.353 4.313 ( 5.720 -0.804 2.785) 6.413 5.015 ( -2.615 -5.147 -3.625) 6.816 5.083 ( 6.512 4.451 3.683) 8.705 5.410 ( 0.418 -1.365 1.355) 1.969 5.595 ( 1.864 -2.268 -0.698) 3.017 5.959 ( -2.700 0.075 -0.920) 2.854 6.092 ( -6.131 3.283 2.822) 7.505 6.407 ( 11.826 3.352 -12.820) 17.761 6.467 ( -0.866 -2.422 -1.034) 2.772 6.952 ( -6.812 -0.168 -8.867) 11.182 7.262 ( 8.095 -0.719 7.120) 10.805 7.457 ( 1.027 -1.429 -0.337) 1.792 8.129 ( -1.185 1.307 -1.026) 2.041 8.348 ( 0.135 1.630 1.050) 1.943 8.400 ( -2.230 4.172 -0.597) 4.769 8.975 ( -6.126 0.414 5.789) 8.438 10.075 ( 11.258 3.812 1.873) 12.033 10.166 ( 0.652 -5.442 -0.715) 5.528 10.745 ( 0.482 2.195 -1.367) 2.630 11.171 ( 4.937 -6.396 -24.814) 26.097 11.404 ( -4.108 4.224 26.254) 26.907 11.893 ( 0.409 2.440 0.610) 2.548 11.981 ( -1.564 1.366 0.520) 2.141 12.353 ( -11.842 -4.720 2.113) 12.922 12.443 ( -2.382 1.463 -1.679) 3.261 12.907 ( 4.406 7.094 1.220) 8.439 13.665 ( -6.784 -3.991 7.808) 11.087 14.350 ( -50.426 -17.756 21.180) 57.503 15.476 ( 54.248 15.644 -42.927) 70.924 16.274 ( -1.164 0.199 0.560) 1.307 26.527 ( 1.495 -0.137 -0.890) 1.745 26.629 ( -0.518 -0.483 -0.838) 1.097 26.818 ( 0.240 1.113 0.279) 1.172 26.908 ( -0.088 1.174 0.026) 1.178 ======================= Grid point 2 (3/251) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 12.974 -23.349 4.600) 27.105 1.169 ( 9.652 -26.332 4.375) 28.384 2.174 ( 17.738 -46.156 8.318) 50.142 2.940 ( -5.977 -7.182 0.837) 9.381 3.509 ( -4.687 2.212 -0.320) 5.192 3.782 ( 4.017 -5.998 -3.475) 8.012 3.960 ( -7.860 -0.201 -1.483) 8.001 4.066 ( 1.216 -3.746 7.545) 8.511 4.362 ( 4.155 0.871 1.524) 4.511 5.025 ( -0.627 1.588 -2.333) 2.891 5.136 ( -4.367 -8.881 -3.202) 10.402 5.434 ( 2.382 0.968 0.666) 2.656 5.654 ( 1.668 -3.017 -2.181) 4.080 5.921 ( -4.394 0.724 -2.536) 5.125 5.986 ( -0.410 5.124 1.933) 5.492 6.387 ( 4.860 2.926 -5.570) 7.950 6.483 ( -4.909 -1.638 -0.008) 5.175 6.894 ( -4.513 -1.482 -6.496) 8.047 7.364 ( 8.558 -0.646 6.592) 10.821 7.499 ( 1.138 -2.261 -0.618) 2.606 8.081 ( -0.286 2.849 -0.286) 2.877 8.274 ( -3.714 6.036 -1.225) 7.192 8.321 ( 0.733 2.474 2.061) 3.303 8.921 ( -1.714 3.411 1.556) 4.122 10.108 ( 2.858 -0.520 1.141) 3.121 10.305 ( 1.140 -9.155 -1.235) 9.308 10.706 ( 1.270 1.908 -1.278) 2.624 11.249 ( 2.576 -5.485 -12.889) 14.243 11.385 ( -4.663 1.705 15.404) 16.185 11.846 ( 0.475 3.252 0.775) 3.377 11.931 ( -2.255 2.680 1.473) 3.800 12.336 ( -4.672 0.926 2.173) 5.235 12.388 ( -3.269 0.083 -3.948) 5.126 12.793 ( 6.711 10.668 1.505) 12.692 13.717 ( -3.327 -3.699 4.110) 6.453 14.340 ( -22.630 -7.649 8.289) 25.285 15.476 ( 25.786 7.735 -19.438) 33.205 16.257 ( -2.061 0.483 0.832) 2.274 26.544 ( 0.684 -1.044 -0.408) 1.313 26.632 ( -0.315 -0.601 -0.723) 0.991 26.793 ( 0.322 2.076 0.413) 2.141 26.878 ( -0.099 2.078 0.110) 2.084 ======================= Grid point 3 (4/251) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 11.744 -21.662 4.085) 24.977 1.707 ( 9.380 -23.407 3.565) 25.467 2.929 ( -6.903 -5.640 2.752) 9.329 3.101 ( 10.609 -30.332 4.813) 32.492 3.462 ( 1.786 0.692 0.330) 1.944 3.853 ( -4.942 5.207 3.401) 7.944 3.961 ( 4.626 -10.680 -10.110) 15.417 4.171 ( -5.542 -4.973 8.427) 11.246 4.395 ( 2.696 -2.769 3.843) 5.450 4.968 ( 0.881 3.788 -3.131) 4.992 5.239 ( -9.503 -8.681 -2.297) 13.075 5.405 ( 4.805 4.963 -2.039) 7.202 5.702 ( 0.714 -1.677 -3.589) 4.026 5.840 ( -3.855 2.408 -2.232) 5.063 5.958 ( 3.173 0.444 2.340) 3.968 6.344 ( 1.507 2.592 -3.669) 4.739 6.439 ( -7.738 0.801 -1.112) 7.858 6.877 ( -2.730 -1.031 -2.915) 4.125 7.465 ( 8.280 -0.867 4.725) 9.573 7.543 ( -0.578 -2.561 -0.612) 2.696 8.030 ( 0.969 2.851 -0.256) 3.022 8.134 ( -4.321 4.919 -1.172) 6.652 8.292 ( 1.149 2.455 1.885) 3.302 8.844 ( 0.027 4.495 0.641) 4.540 10.138 ( -0.109 -1.048 0.817) 1.333 10.476 ( 1.370 -8.269 -1.925) 8.600 10.710 ( 2.659 -1.778 -0.069) 3.200 11.293 ( -0.830 -1.968 -9.507) 9.744 11.382 ( -5.750 -0.904 11.924) 13.269 11.801 ( 0.176 1.789 0.209) 1.809 11.875 ( 0.130 2.926 2.400) 3.787 12.266 ( -3.560 2.938 0.595) 4.654 12.368 ( -0.157 -0.146 -2.570) 2.579 12.651 ( 5.670 10.748 0.685) 12.171 13.766 ( -1.826 -2.621 2.823) 4.263 14.325 ( -12.066 -3.813 3.368) 13.095 15.473 ( 14.636 4.767 -10.427) 18.592 16.231 ( -2.291 0.679 0.730) 2.498 26.573 ( 0.361 -1.769 -0.281) 1.827 26.641 ( -0.218 -0.904 -0.672) 1.147 26.753 ( 0.291 2.658 0.452) 2.711 26.835 ( -0.073 2.517 0.193) 2.526 ======================= Grid point 4 (5/251) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 9.257 -17.536 2.209) 19.952 2.155 ( 7.802 -16.683 3.048) 18.667 2.825 ( -8.197 6.570 0.311) 10.510 3.419 ( 1.288 0.108 4.881) 5.049 3.628 ( 0.248 -6.560 -4.293) 7.844 3.755 ( -1.129 -0.528 0.426) 1.317 4.200 ( 3.259 -12.872 -8.887) 15.978 4.223 ( -0.395 -5.520 10.206) 11.610 4.546 ( 2.004 -7.739 8.566) 11.717 4.882 ( 1.867 5.577 -4.596) 7.464 5.267 ( -10.064 -3.728 1.763) 10.876 5.342 ( 6.170 4.893 -3.673) 8.689 5.658 ( -2.711 3.600 -6.421) 7.845 5.805 ( -1.273 -0.786 1.071) 1.840 6.019 ( 6.023 -1.841 1.951) 6.594 6.298 ( -1.333 2.055 -2.309) 3.367 6.338 ( -6.977 1.909 -1.785) 7.451 6.862 ( -1.469 -0.002 -0.803) 1.674 7.533 ( 4.263 0.633 1.817) 4.677 7.589 ( -0.072 -3.022 0.527) 3.069 7.993 ( 1.684 2.461 -1.015) 3.150 8.044 ( -3.500 0.929 -0.085) 3.622 8.260 ( 0.632 2.314 0.716) 2.503 8.779 ( 0.660 3.055 0.640) 3.190 10.149 ( -0.677 -0.389 0.450) 0.901 10.570 ( 0.500 -2.395 -1.529) 2.885 10.835 ( 5.337 -7.725 0.994) 9.442 11.221 ( -6.023 3.942 -4.831) 8.669 11.405 ( -4.151 -2.071 6.214) 7.755 11.802 ( 1.545 -1.346 -1.723) 2.678 11.848 ( 1.385 1.978 3.021) 3.868 12.195 ( -2.598 2.173 0.624) 3.444 12.369 ( 2.652 0.239 -1.368) 2.994 12.513 ( 1.721 7.574 -0.345) 7.774 13.799 ( -0.793 -1.320 1.595) 2.217 14.311 ( -5.484 -1.604 1.038) 5.807 15.467 ( 6.930 2.453 -4.722) 8.737 16.206 ( -1.537 0.517 0.395) 1.670 26.610 ( 0.102 -2.222 -0.262) 2.240 26.656 ( -0.091 -1.036 -0.557) 1.179 26.708 ( 0.225 2.692 0.504) 2.748 26.792 ( -0.060 2.122 0.179) 2.130 ======================= Grid point 5 (6/251) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.000 -0.000 0.000) 0.000 2.392 ( -0.000 -0.000 0.000) 0.000 2.665 ( 0.000 -0.000 0.000) 0.000 3.411 ( 0.000 -0.000 0.000) 0.000 3.644 ( 0.000 -0.000 0.000) 0.000 3.759 ( -0.000 -0.000 -0.000) 0.000 4.248 ( 0.000 -0.000 -0.000) 0.000 4.424 ( -0.000 -0.000 0.000) 0.000 4.677 ( 0.000 -0.000 -0.000) 0.000 4.793 ( 0.000 -0.000 0.000) 0.000 5.260 ( -0.000 -0.000 0.000) 0.000 5.319 ( 0.000 -0.000 -0.000) 0.000 5.574 ( 0.000 -0.000 0.000) 0.000 5.814 ( -0.000 -0.000 0.000) 0.000 6.086 ( -0.000 -0.000 -0.000) 0.000 6.235 ( 0.000 -0.000 0.000) 0.000 6.302 ( 0.000 -0.000 0.000) 0.000 6.854 ( 0.000 -0.000 0.000) 0.000 7.543 ( -0.000 -0.000 -0.000) 0.000 7.623 ( 0.000 -0.000 0.000) 0.000 7.971 ( 0.000 -0.000 0.000) 0.000 8.031 ( 0.000 -0.000 0.000) 0.000 8.238 ( 0.000 -0.000 0.000) 0.000 8.755 ( 0.000 -0.000 0.000) 0.000 10.149 ( 0.000 -0.000 0.000) 0.000 10.588 ( 0.000 -0.000 0.000) 0.000 11.005 ( -0.000 0.000 -0.000) 0.000 11.077 ( 0.000 -0.000 0.000) 0.000 11.419 ( 0.000 -0.000 0.000) 0.000 11.833 ( -0.000 0.000 0.000) 0.000 11.835 ( 0.000 -0.000 -0.000) 0.000 12.163 ( 0.000 -0.000 0.000) 0.000 12.390 ( 0.000 -0.000 0.000) 0.000 12.432 ( 0.000 -0.000 -0.000) 0.000 13.811 ( 0.000 -0.000 0.000) 0.000 14.305 ( -0.000 -0.000 0.000) 0.000 15.464 ( 0.000 -0.000 -0.000) 0.000 16.195 ( 0.000 -0.000 0.000) 0.000 26.640 ( 0.000 -0.000 0.000) 0.000 26.668 ( -0.000 0.000 0.000) 0.000 26.674 ( 0.000 -0.000 -0.000) 0.000 26.770 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/251) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 24.700 0.000 6.061) 25.433 0.449 ( 22.908 0.000 12.064) 25.890 0.994 ( 52.059 0.000 23.526) 57.128 2.713 ( -6.129 -0.000 -1.203) 6.246 3.544 ( -5.171 -0.000 2.605) 5.790 3.707 ( -5.764 -0.000 0.592) 5.795 3.864 ( -10.958 -0.000 -8.511) 13.875 4.042 ( 9.595 0.000 5.813) 11.219 4.372 ( 7.195 0.000 4.019) 8.241 4.922 ( -4.392 -0.000 -6.420) 7.779 5.368 ( -6.999 -0.000 9.338) 11.670 5.387 ( 2.545 0.000 2.605) 3.642 5.562 ( 0.256 0.000 -0.071) 0.266 5.925 ( -4.730 -0.000 -2.663) 5.428 6.022 ( 0.080 0.000 -2.158) 2.159 6.427 ( -2.366 -0.000 1.253) 2.677 6.557 ( 20.939 0.000 -43.710) 48.466 6.852 ( -6.223 -0.000 -12.210) 13.705 7.322 ( 6.331 0.000 11.436) 13.071 7.456 ( 2.396 0.000 -1.176) 2.668 8.097 ( -1.761 -0.000 0.441) 1.815 8.370 ( 0.273 0.000 2.278) 2.294 8.428 ( -1.650 -0.000 -2.116) 2.683 8.898 ( -10.127 -0.000 18.576) 21.157 10.119 ( 0.862 0.000 -0.559) 1.028 10.442 ( 1.531 0.000 -0.941) 1.797 10.773 ( 0.222 0.000 0.860) 0.888 10.964 ( 25.306 0.000 -54.568) 60.150 11.693 ( -35.584 -0.000 63.889) 73.130 11.855 ( -1.778 -0.000 5.707) 5.978 11.934 ( 3.985 0.000 -3.934) 5.600 12.051 ( 1.535 0.000 9.048) 9.177 12.436 ( -3.764 -0.000 -0.442) 3.790 12.915 ( -4.213 -0.000 -0.960) 4.321 13.509 ( -15.680 -0.000 40.179) 43.130 13.927 ( 6.436 0.000 0.381) 6.447 15.944 ( 33.812 0.000 -77.039) 84.132 16.264 ( -2.420 -0.000 1.302) 2.749 26.550 ( 1.765 0.000 -4.156) 4.516 26.602 ( -0.498 -0.000 -0.669) 0.835 26.832 ( 0.417 0.000 0.579) 0.713 26.918 ( -0.042 -0.000 -0.070) 0.081 ======================= Grid point 13 (8/251) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 20.113 -19.097 1.639) 27.783 0.902 ( 17.431 -19.596 12.729) 29.153 1.736 ( 39.785 -27.670 18.116) 51.736 2.731 ( -8.247 -8.074 -0.563) 11.555 3.501 ( -6.160 0.640 2.356) 6.626 3.677 ( -3.524 -2.898 -2.333) 5.124 3.813 ( -10.681 -5.406 -3.887) 12.586 4.121 ( 6.845 1.597 6.606) 9.646 4.434 ( 5.747 1.119 2.127) 6.229 4.898 ( -6.721 -4.944 -6.251) 10.426 5.181 ( 2.651 9.598 1.001) 10.007 5.442 ( 2.641 -1.887 1.094) 3.425 5.616 ( 1.566 -2.465 -1.316) 3.203 5.870 ( -6.694 -0.153 -3.260) 7.447 6.028 ( -2.692 0.239 -0.118) 2.705 6.419 ( -4.206 -1.017 1.195) 4.489 6.498 ( 10.036 5.966 -14.782) 18.836 6.785 ( -4.943 -2.449 -10.708) 12.045 7.435 ( 5.732 -1.427 7.921) 9.881 7.487 ( 3.840 -1.219 -1.011) 4.154 8.092 ( -2.752 -0.267 -0.580) 2.825 8.340 ( -3.130 4.988 -0.972) 5.969 8.378 ( 1.236 1.845 2.596) 3.417 8.913 ( -6.267 -1.987 5.609) 8.642 10.173 ( 1.256 -4.750 -0.005) 4.914 10.261 ( 9.023 11.175 -0.405) 14.368 10.748 ( 1.451 2.045 -1.903) 3.148 11.106 ( 6.745 -8.120 -21.142) 23.630 11.479 ( -10.724 7.410 26.294) 29.347 11.894 ( -3.877 1.338 4.011) 5.736 11.950 ( 0.611 0.818 -0.981) 1.416 12.235 ( -3.014 -8.486 3.459) 9.647 12.379 ( -4.158 2.009 -1.426) 4.833 12.930 ( -2.283 -1.016 -1.762) 3.057 13.574 ( -12.594 -5.832 17.240) 22.132 14.077 ( -1.093 -8.447 3.609) 9.250 15.799 ( 24.532 12.634 -34.777) 44.395 16.246 ( -3.117 0.120 1.390) 3.415 26.542 ( 1.077 0.224 -1.239) 1.657 26.610 ( -0.759 -1.061 -1.272) 1.822 26.828 ( 0.489 1.188 0.682) 1.454 26.907 ( -0.062 1.174 0.011) 1.176 ======================= Grid point 14 (9/251) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 17.003 -21.401 0.433) 27.337 1.431 ( 15.641 -19.845 11.943) 27.948 2.576 ( 18.732 -29.020 9.898) 35.931 2.847 ( -2.988 -11.244 3.265) 12.083 3.476 ( -0.144 -0.945 2.149) 2.352 3.753 ( -2.085 -9.143 -9.656) 13.460 3.820 ( -9.623 -3.747 4.645) 11.324 4.145 ( 0.770 1.451 7.537) 7.714 4.418 ( 1.603 2.579 -1.661) 3.461 4.958 ( -3.419 -6.916 -2.908) 8.245 5.092 ( 0.411 2.484 -1.124) 2.757 5.490 ( 4.514 0.604 -0.538) 4.586 5.662 ( 1.905 -2.258 -3.256) 4.396 5.802 ( -7.170 -0.081 -4.622) 8.531 5.994 ( -0.366 1.313 1.071) 1.733 6.386 ( -6.510 0.393 -0.028) 6.522 6.418 ( 3.461 4.856 -5.324) 7.994 6.785 ( -3.344 -3.864 -7.118) 8.762 7.501 ( 1.494 -1.434 1.720) 2.692 7.551 ( 6.970 -0.108 3.629) 7.859 8.060 ( -2.366 0.922 -1.197) 2.807 8.196 ( -4.175 6.440 -1.328) 7.789 8.365 ( 2.665 2.885 3.439) 5.220 8.896 ( -2.744 1.132 1.521) 3.335 10.174 ( 3.793 3.930 1.862) 5.770 10.325 ( 3.159 -8.618 -2.216) 9.442 10.724 ( 2.064 1.131 -1.286) 2.682 11.196 ( 0.853 -4.591 -11.478) 12.391 11.391 ( -8.877 2.605 16.593) 18.998 11.839 ( -2.118 2.528 1.648) 3.686 11.931 ( 1.623 2.108 1.310) 2.965 12.287 ( -3.744 1.994 1.640) 4.548 12.336 ( 0.686 -2.292 -3.223) 4.014 12.866 ( 1.771 7.053 -1.067) 7.350 13.635 ( -11.507 -6.806 8.228) 15.698 14.197 ( -0.388 -4.790 1.963) 5.191 15.679 ( 15.756 9.131 -16.828) 24.795 16.221 ( -3.075 0.260 1.016) 3.249 26.551 ( 0.565 -0.848 -0.493) 1.131 26.619 ( -0.581 -0.988 -1.106) 1.593 26.803 ( 0.439 2.212 0.651) 2.347 26.877 ( -0.058 2.046 0.119) 2.050 ======================= Grid point 15 (10/251) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 14.359 -18.750 0.139) 23.617 1.929 ( 13.633 -18.230 9.849) 24.803 2.809 ( -8.825 -2.555 1.458) 9.303 3.275 ( 4.849 -17.436 4.474) 18.642 3.564 ( 7.989 -2.615 3.891) 9.263 3.757 ( -4.949 0.397 -4.126) 6.456 3.944 ( -2.752 -13.192 -2.726) 13.749 4.161 ( -0.522 -3.238 8.127) 8.764 4.436 ( -1.265 -5.512 0.521) 5.680 4.975 ( 2.794 4.346 -4.479) 6.838 5.119 ( -4.101 -6.594 3.235) 8.412 5.478 ( 6.381 4.588 -2.511) 8.250 5.664 ( -2.037 1.672 -6.701) 7.200 5.768 ( -1.820 -2.365 -1.264) 3.241 6.005 ( 0.234 -2.215 0.634) 2.316 6.310 ( -6.975 2.180 -0.207) 7.310 6.346 ( 1.340 3.273 -2.244) 4.188 6.802 ( -3.523 -3.031 -4.475) 6.451 7.527 ( -1.408 -0.885 0.275) 1.685 7.620 ( 7.028 -0.021 4.052) 8.113 8.015 ( -3.422 1.527 -2.518) 4.515 8.065 ( -1.974 3.717 -0.277) 4.217 8.333 ( 2.585 4.189 1.965) 5.300 8.849 ( -0.313 3.033 1.283) 3.308 10.157 ( 1.491 1.274 1.557) 2.504 10.497 ( 3.388 -7.157 -2.450) 8.289 10.756 ( 3.029 -3.795 0.000) 4.855 11.191 ( -5.320 0.059 -6.523) 8.417 11.356 ( -7.173 -0.751 10.770) 12.962 11.803 ( 0.602 0.747 -0.516) 1.089 11.912 ( 2.064 2.390 2.328) 3.924 12.220 ( -2.428 2.372 0.878) 3.506 12.373 ( 2.478 -1.152 -2.201) 3.509 12.713 ( 2.253 10.924 -1.033) 11.202 13.689 ( -10.218 -6.356 4.022) 12.687 14.269 ( 2.716 -2.099 0.576) 3.480 15.591 ( 8.252 6.768 -8.058) 13.373 16.199 ( -2.078 0.131 0.334) 2.109 26.576 ( 0.271 -1.598 -0.292) 1.647 26.631 ( -0.400 -1.214 -0.875) 1.549 26.763 ( 0.389 2.772 0.618) 2.867 26.836 ( -0.085 2.508 0.144) 2.514 ======================= Grid point 16 (11/251) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 8.000 -11.342 -0.519) 13.890 2.338 ( 11.815 -11.244 6.867) 17.697 2.711 ( -6.196 5.579 0.688) 8.366 3.422 ( -6.434 -0.932 1.721) 6.725 3.576 ( -1.785 1.074 -3.195) 3.815 3.777 ( 5.268 -3.133 0.994) 6.210 4.117 ( -4.247 -10.317 -4.116) 11.892 4.386 ( 7.436 -9.360 8.921) 14.916 4.548 ( -7.048 -8.053 1.642) 10.827 4.865 ( -0.046 6.520 -4.765) 8.075 5.228 ( 2.083 -4.427 5.896) 7.661 5.418 ( 7.157 6.574 -6.616) 11.756 5.583 ( -2.322 1.519 -0.894) 2.915 5.800 ( 0.734 -1.424 -1.632) 2.287 6.037 ( -5.446 -1.687 -1.860) 5.997 6.245 ( 0.290 -0.010 1.775) 1.798 6.316 ( 1.213 0.873 0.101) 1.498 6.810 ( -3.257 -2.535 -3.106) 5.165 7.516 ( -3.227 -0.155 -0.074) 3.232 7.677 ( 5.423 1.188 3.141) 6.378 7.942 ( -4.595 0.703 -1.632) 4.926 8.045 ( 1.499 -0.530 -0.765) 1.765 8.271 ( 0.830 4.147 -0.084) 4.230 8.797 ( 0.559 3.260 1.580) 3.666 10.156 ( 0.863 0.422 1.157) 1.504 10.587 ( 3.003 -1.384 -1.483) 3.624 10.921 ( 4.686 -9.663 0.438) 10.749 11.079 ( -8.438 3.442 -2.548) 9.463 11.372 ( -4.602 -2.872 4.924) 7.326 11.811 ( 1.305 -0.757 -2.554) 2.966 11.889 ( 1.193 2.787 2.488) 3.922 12.180 ( -0.320 1.299 1.841) 2.276 12.404 ( 2.757 -0.690 -1.453) 3.192 12.523 ( 0.351 10.190 -1.301) 10.279 13.727 ( -8.321 -5.086 1.372) 9.848 14.326 ( 5.710 -0.619 -0.062) 5.744 15.509 ( 1.682 4.688 -2.530) 5.586 16.190 ( -0.489 -0.333 -0.238) 0.638 26.609 ( 0.019 -2.044 -0.248) 2.059 26.650 ( -0.175 -1.355 -0.592) 1.489 26.716 ( 0.273 2.865 0.577) 2.936 26.792 ( -0.083 2.100 0.091) 2.104 ======================= Grid point 17 (12/251) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -0.471 8.224 0.093) 8.238 2.344 ( -3.643 13.388 -1.271) 13.933 2.751 ( 8.123 -8.355 2.670) 11.955 3.360 ( -6.377 -0.880 -1.514) 6.613 3.581 ( -0.968 -4.956 -3.297) 6.030 3.883 ( 7.593 2.070 5.894) 9.833 4.222 ( 0.319 -4.275 -6.202) 7.539 4.413 ( -4.833 10.495 6.757) 13.385 4.579 ( -6.222 0.823 -7.270) 9.605 4.790 ( -1.515 -2.749 2.509) 4.018 5.285 ( -2.735 1.757 2.480) 4.089 5.383 ( 13.337 0.352 -4.800) 14.179 5.628 ( 2.236 -4.219 6.846) 8.347 5.815 ( 1.065 -0.239 -2.337) 2.579 5.968 ( -8.860 0.655 -2.664) 9.275 6.297 ( 2.015 -0.699 2.503) 3.289 6.355 ( 5.450 -3.102 1.891) 6.550 6.828 ( -1.947 -2.963 -2.163) 4.153 7.485 ( -4.416 0.181 -0.949) 4.520 7.671 ( 2.962 3.814 1.729) 5.129 7.924 ( -3.495 -2.494 -0.437) 4.316 8.074 ( 3.730 0.106 -0.331) 3.746 8.223 ( -1.359 -0.011 -1.106) 1.752 8.759 ( 0.059 1.352 0.925) 1.639 10.162 ( 1.165 0.191 0.597) 1.323 10.608 ( 2.544 0.953 0.093) 2.718 10.904 ( -7.318 5.709 -1.749) 9.445 11.165 ( 5.503 -9.164 2.410) 10.957 11.407 ( -1.446 -2.341 -0.216) 2.760 11.812 ( -0.155 0.197 -3.281) 3.291 11.844 ( -0.516 3.191 2.017) 3.810 12.187 ( 2.010 -0.762 1.278) 2.501 12.369 ( -1.674 4.326 -0.668) 4.686 12.442 ( 0.873 -1.504 -0.377) 1.779 13.750 ( -5.895 -3.436 -0.239) 6.828 14.384 ( 8.411 0.127 -0.739) 8.444 15.434 ( -3.998 2.473 1.472) 4.926 16.202 ( 0.859 -0.871 -0.484) 1.316 26.640 ( -0.065 -0.503 -0.035) 0.508 26.666 ( 0.015 -0.475 -0.306) 0.566 26.676 ( -0.051 1.018 0.356) 1.080 26.770 ( 0.007 0.003 -0.044) 0.044 ======================= Grid point 18 (13/251) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -4.683 22.472 -2.140) 23.054 2.037 ( -5.072 19.589 -0.899) 20.255 2.945 ( 6.604 -5.035 -0.527) 8.321 3.368 ( -1.749 -3.477 -1.546) 4.187 3.626 ( -4.001 20.745 5.980) 21.958 3.741 ( 0.881 -1.910 -8.140) 8.407 4.144 ( -2.102 10.018 3.329) 10.764 4.278 ( 2.460 2.904 1.881) 4.245 4.434 ( -2.738 5.360 -9.178) 10.976 4.886 ( -0.825 -5.954 3.163) 6.792 5.283 ( -3.498 -4.137 1.616) 5.653 5.457 ( 12.651 4.240 0.368) 13.348 5.724 ( -0.524 -1.228 6.749) 6.880 5.812 ( -0.996 -0.684 -2.389) 2.677 5.904 ( -3.900 -1.666 -2.771) 5.065 6.323 ( 0.455 -0.660 2.405) 2.535 6.473 ( 6.165 -2.772 1.873) 7.014 6.872 ( 0.049 -3.081 -0.666) 3.152 7.424 ( -5.400 1.924 -1.903) 6.040 7.617 ( 1.407 4.228 0.813) 4.529 7.959 ( -2.030 -3.643 0.035) 4.171 8.103 ( 3.102 -1.398 0.025) 3.402 8.238 ( -1.223 -2.380 -1.068) 2.881 8.770 ( -0.332 -2.594 0.174) 2.621 10.166 ( 1.304 0.881 0.084) 1.576 10.589 ( 1.436 3.880 1.329) 4.345 10.747 ( -4.607 5.070 -1.169) 6.950 11.330 ( 2.908 -2.798 6.168) 7.371 11.415 ( 2.434 0.988 -6.102) 6.644 11.791 ( -0.660 1.225 0.415) 1.452 11.811 ( -0.864 -1.975 -2.152) 3.046 12.240 ( 2.859 -2.491 -0.192) 3.797 12.343 ( -1.610 -2.746 1.089) 3.364 12.479 ( -2.233 -3.302 -0.315) 3.999 13.756 ( -3.316 -1.566 -0.878) 3.771 14.451 ( 10.995 0.429 -2.087) 11.199 15.367 ( -8.773 0.575 4.619) 9.932 16.228 ( 1.365 -1.110 -0.497) 1.828 26.610 ( -0.116 2.398 0.170) 2.407 26.660 ( 0.014 0.801 0.312) 0.859 26.703 ( -0.147 -2.574 -0.281) 2.594 26.792 ( 0.053 -2.120 -0.140) 2.125 ======================= Grid point 19 (14/251) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -4.292 25.589 -2.153) 26.035 1.585 ( -3.740 25.713 -0.879) 25.999 2.896 ( -4.274 43.254 -3.084) 43.574 3.032 ( 1.570 0.578 -0.320) 1.703 3.485 ( 2.450 -5.059 1.309) 5.771 3.821 ( -3.207 0.192 -2.832) 4.283 3.990 ( 0.175 3.108 4.862) 5.773 4.188 ( 2.275 8.940 -4.504) 10.266 4.345 ( -1.036 1.316 -1.222) 2.073 4.985 ( 0.517 -3.871 1.290) 4.113 5.357 ( -3.622 -4.502 5.422) 7.923 5.389 ( 7.124 10.845 -2.893) 13.294 5.709 ( -0.569 2.955 1.732) 3.472 5.855 ( -1.983 -6.531 -0.805) 6.873 5.935 ( 1.366 -1.956 -0.309) 2.406 6.345 ( -0.817 -1.068 1.949) 2.368 6.539 ( 3.446 0.272 0.628) 3.513 6.927 ( 1.517 -2.175 1.300) 2.953 7.326 ( -4.694 3.197 -2.511) 6.210 7.553 ( 0.129 3.812 0.397) 3.835 8.018 ( -0.449 -3.849 -0.033) 3.875 8.188 ( 1.603 -5.669 0.392) 5.905 8.269 ( -0.493 -2.241 -0.921) 2.472 8.841 ( -0.071 -4.996 -0.118) 4.998 10.142 ( 0.493 2.715 -0.198) 2.767 10.474 ( -0.278 9.251 0.757) 9.286 10.679 ( -1.076 0.021 0.047) 1.078 11.351 ( -1.825 3.154 9.917) 10.565 11.378 ( 3.585 1.910 -10.393) 11.159 11.791 ( -0.548 -1.790 -0.183) 1.881 11.875 ( 0.960 -4.467 -1.104) 4.701 12.310 ( 2.022 -3.171 -0.389) 3.781 12.420 ( 4.281 -2.157 2.329) 5.330 12.537 ( -7.054 -8.930 -1.753) 11.514 13.747 ( -1.087 0.380 -0.807) 1.406 14.529 ( 12.434 0.088 -3.682) 12.968 15.303 ( -11.557 -0.211 6.474) 13.249 16.255 ( 0.971 -0.922 -0.354) 1.385 26.569 ( -0.197 1.946 0.117) 1.960 26.647 ( 0.059 0.721 0.244) 0.764 26.748 ( -0.133 -2.560 -0.171) 2.570 26.836 ( 0.053 -2.543 -0.082) 2.545 ======================= Grid point 20 (15/251) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.000 27.034 -0.000) 27.034 1.076 ( -0.000 28.797 -0.000) 28.797 1.995 ( -0.000 52.190 -0.000) 52.190 2.986 ( -0.000 6.457 -0.000) 6.457 3.582 ( 0.000 -2.643 0.000) 2.643 3.723 ( -0.000 2.523 -0.000) 2.523 4.032 ( -0.000 7.121 -0.000) 7.121 4.040 ( 0.000 -2.677 0.000) 2.677 4.311 ( -0.000 1.739 -0.000) 1.739 5.032 ( 0.000 -1.096 0.000) 1.096 5.196 ( -0.000 11.295 -0.000) 11.295 5.411 ( 0.000 -1.248 0.000) 1.248 5.646 ( -0.000 3.689 -0.000) 3.689 5.965 ( 0.000 -0.675 0.000) 0.675 5.985 ( 0.000 -8.037 0.000) 8.037 6.361 ( 0.000 -0.938 0.000) 0.938 6.524 ( -0.000 2.635 -0.000) 2.635 6.978 ( 0.000 -1.950 0.000) 1.950 7.241 ( -0.000 2.771 -0.000) 2.771 7.493 ( -0.000 2.814 -0.000) 2.814 8.084 ( 0.000 -3.510 0.000) 3.510 8.308 ( 0.000 -2.427 0.000) 2.427 8.311 ( 0.000 -6.542 0.000) 6.542 8.929 ( 0.000 -4.466 0.000) 4.466 10.080 ( -0.000 3.870 -0.000) 3.870 10.301 ( -0.000 9.242 -0.000) 9.242 10.701 ( 0.000 -2.313 0.000) 2.313 11.282 ( -0.000 4.922 -0.000) 4.922 11.357 ( 0.000 -0.104 0.000) 0.104 11.837 ( 0.000 -3.247 0.000) 3.247 11.946 ( 0.000 -3.004 0.000) 3.004 12.374 ( 0.000 -2.690 0.000) 2.690 12.455 ( -0.000 0.196 -0.000) 0.196 12.701 ( 0.000 -11.690 0.000) 11.690 13.720 ( -0.000 2.019 -0.000) 2.019 14.599 ( 0.000 -1.102 0.000) 1.102 15.251 ( -0.000 0.442 -0.000) 0.442 16.271 ( 0.000 -0.525 0.000) 0.525 26.539 ( -0.000 1.295 -0.000) 1.295 26.638 ( -0.000 0.393 -0.000) 0.393 26.788 ( 0.000 -2.006 0.000) 2.006 26.878 ( 0.000 -2.106 0.000) 2.106 ======================= Grid point 23 (16/251) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 23.106 0.000 5.810) 23.825 0.880 ( 21.333 0.000 11.301) 24.142 1.951 ( 49.109 0.000 22.324) 53.945 2.572 ( -9.879 -0.000 -1.641) 10.015 3.445 ( -10.962 -0.000 5.201) 12.133 3.621 ( -9.852 -0.000 -11.580) 15.203 3.654 ( -2.516 -0.000 3.643) 4.428 4.230 ( 8.432 0.000 5.856) 10.266 4.495 ( 4.733 0.000 3.341) 5.793 4.767 ( -8.919 -0.000 -7.498) 11.652 5.302 ( -4.569 -0.000 -1.428) 4.787 5.448 ( 3.677 0.000 0.021) 3.677 5.593 ( 3.822 0.000 0.739) 3.893 5.793 ( -9.090 -0.000 -3.575) 9.768 5.999 ( -0.988 -0.000 -2.431) 2.624 6.389 ( -3.686 -0.000 2.061) 4.222 6.593 ( 10.200 0.000 -18.198) 20.862 6.674 ( -5.797 -0.000 -11.300) 12.700 7.493 ( 3.546 0.000 -2.180) 4.162 7.493 ( 5.736 0.000 9.575) 11.162 8.059 ( -3.750 -0.000 1.054) 3.895 8.380 ( -1.658 -0.000 -3.387) 3.771 8.406 ( 1.471 0.000 4.425) 4.663 8.853 ( -6.271 -0.000 6.563) 9.078 10.140 ( 2.592 0.000 -0.700) 2.684 10.464 ( 2.192 0.000 -1.761) 2.812 10.785 ( 0.246 0.000 1.374) 1.396 10.986 ( 11.445 0.000 -25.355) 27.818 11.549 ( -22.184 -0.000 29.159) 36.638 11.874 ( -1.194 -0.000 7.014) 7.115 11.979 ( 4.951 0.000 -4.022) 6.379 12.146 ( 3.196 0.000 7.148) 7.830 12.360 ( -5.015 -0.000 -0.617) 5.053 12.821 ( -6.019 -0.000 -2.146) 6.390 13.539 ( -5.252 -0.000 16.262) 17.089 14.060 ( 9.415 0.000 0.350) 9.421 15.953 ( 15.451 0.000 -34.030) 37.374 16.223 ( -4.152 -0.000 2.157) 4.678 26.549 ( 0.735 0.000 -1.800) 1.945 26.586 ( -0.728 -0.000 -0.978) 1.219 26.846 ( 0.596 0.000 0.832) 1.023 26.917 ( -0.076 -0.000 -0.118) 0.140 ======================= Grid point 24 (17/251) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 20.221 -13.960 2.705) 24.720 1.268 ( 17.644 -17.548 11.731) 27.511 2.444 ( 19.205 -7.617 10.255) 23.065 2.641 ( 10.729 -13.499 7.827) 18.936 3.406 ( -9.030 -4.168 3.469) 10.533 3.557 ( -6.142 -5.150 -9.597) 12.504 3.694 ( -3.442 -3.681 5.096) 7.167 4.254 ( 3.833 5.069 5.602) 8.472 4.472 ( -1.974 4.554 -4.876) 6.958 4.772 ( -3.992 -8.872 -0.320) 9.733 5.190 ( -0.170 5.914 -3.425) 6.836 5.502 ( 4.490 -2.201 -0.681) 5.046 5.644 ( 3.134 -0.935 -1.079) 3.444 5.711 ( -9.205 -0.811 -4.368) 10.221 5.989 ( -2.509 -0.482 -0.454) 2.595 6.356 ( -4.374 0.988 1.122) 4.622 6.521 ( 2.145 5.321 -8.186) 9.996 6.664 ( -0.656 -3.727 -10.095) 10.781 7.506 ( 2.225 0.157 -0.037) 2.230 7.596 ( 5.577 -2.083 4.763) 7.624 8.030 ( -4.749 -0.026 0.016) 4.749 8.285 ( -2.050 6.313 -1.918) 6.909 8.442 ( 3.543 0.698 4.604) 5.851 8.852 ( -4.986 -2.314 2.516) 6.045 10.207 ( 3.380 -4.602 -0.251) 5.715 10.364 ( 5.192 8.985 -1.212) 10.448 10.762 ( 1.456 1.914 -0.919) 2.575 11.065 ( 1.954 -6.271 -13.776) 15.262 11.430 ( -13.771 3.973 19.325) 24.060 11.870 ( -1.582 1.952 4.225) 4.916 11.987 ( 3.648 1.594 -0.985) 4.101 12.263 ( 2.004 -4.626 3.362) 6.060 12.305 ( -3.389 1.057 -1.721) 3.945 12.837 ( -6.444 -5.760 -2.619) 9.031 13.534 ( -5.319 0.752 10.739) 12.007 14.165 ( 7.823 -2.875 0.447) 8.347 15.884 ( 11.695 7.411 -20.406) 24.660 16.199 ( -3.857 -0.188 1.492) 4.140 26.547 ( 0.519 -0.006 -0.817) 0.968 26.590 ( -0.760 -1.094 -1.205) 1.796 26.841 ( 0.553 1.303 0.781) 1.617 26.906 ( -0.076 1.109 -0.052) 1.113 ======================= Grid point 25 (18/251) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 15.319 -18.199 1.271) 23.822 1.777 ( 17.092 -18.488 10.990) 27.472 2.611 ( -8.175 -10.337 0.541) 13.190 3.105 ( 16.621 -11.483 9.854) 22.478 3.519 ( 0.802 -10.522 3.078) 10.992 3.632 ( -1.697 -9.879 -9.948) 14.122 3.744 ( -4.812 -2.384 9.261) 10.705 4.179 ( -1.591 3.732 5.445) 6.790 4.359 ( -3.884 0.560 -7.844) 8.771 4.949 ( 2.190 -9.412 2.276) 9.927 5.090 ( 0.119 4.352 -2.367) 4.955 5.554 ( 1.322 -0.078 0.654) 1.477 5.650 ( -2.336 0.570 -8.371) 8.710 5.689 ( 2.522 -3.438 -1.893) 4.665 5.972 ( -3.850 -0.399 1.657) 4.210 6.295 ( -4.506 1.782 -0.116) 4.847 6.421 ( 0.293 4.585 -2.906) 5.436 6.693 ( -2.000 -3.618 -7.044) 8.168 7.516 ( 0.023 0.090 0.804) 0.809 7.676 ( 5.149 -0.794 2.860) 5.944 7.985 ( -5.079 0.228 -1.965) 5.451 8.142 ( -1.888 6.651 -0.769) 6.956 8.453 ( 4.928 3.882 4.045) 7.464 8.860 ( -2.695 -1.123 0.925) 3.062 10.243 ( 3.183 5.071 1.938) 6.293 10.378 ( 5.527 -7.478 -2.520) 9.634 10.749 ( 1.926 0.367 -0.791) 2.114 11.099 ( -5.616 -2.871 -6.843) 9.306 11.344 ( -8.448 1.749 11.907) 14.703 11.832 ( 0.038 2.106 1.180) 2.414 11.979 ( 2.803 2.182 1.145) 3.732 12.241 ( -2.583 1.679 0.623) 3.143 12.359 ( 3.431 -2.303 -1.435) 4.375 12.837 ( -3.224 1.447 -2.564) 4.366 13.524 ( -8.079 -2.714 6.467) 10.698 14.271 ( 6.705 -2.322 0.141) 7.098 15.763 ( 7.157 8.394 -10.210) 15.031 16.181 ( -2.449 -0.278 0.366) 2.492 26.556 ( 0.344 -0.812 -0.331) 0.942 26.601 ( -0.654 -1.257 -1.056) 1.767 26.815 ( 0.499 2.314 0.683) 2.464 26.876 ( -0.116 2.017 0.007) 2.020 ======================= Grid point 26 (19/251) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 9.601 -15.845 0.107) 18.527 2.252 ( 17.094 -14.980 9.989) 24.827 2.694 ( -6.099 -3.919 0.704) 7.284 3.293 ( -4.662 -3.167 -0.048) 5.636 3.663 ( -0.528 1.436 -5.476) 5.686 3.718 ( 5.751 -4.175 5.710) 9.116 3.844 ( -8.025 -12.796 1.265) 15.158 4.254 ( -0.176 -9.499 0.202) 9.503 4.387 ( 1.541 -6.759 3.380) 7.713 4.966 ( 0.004 6.013 -5.172) 7.931 5.169 ( 4.622 -7.889 6.211) 11.053 5.554 ( -5.420 -1.470 0.265) 5.622 5.574 ( 7.370 6.193 -8.103) 12.583 5.772 ( 3.098 -2.611 -2.413) 4.716 5.957 ( -6.472 -1.424 1.391) 6.772 6.238 ( -2.350 0.288 0.235) 2.379 6.354 ( 0.500 2.392 0.040) 2.444 6.711 ( -3.286 -3.254 -5.270) 7.011 7.501 ( -2.337 0.855 0.941) 2.661 7.735 ( 4.739 -0.564 2.336) 5.314 7.931 ( -3.791 1.358 -2.068) 4.526 8.037 ( -1.739 2.224 -1.068) 3.019 8.401 ( 3.968 6.918 1.872) 8.192 8.851 ( -0.547 1.278 1.307) 1.908 10.199 ( 2.049 2.776 1.675) 3.835 10.554 ( 5.834 -6.218 -2.274) 8.824 10.799 ( 2.249 -5.421 0.132) 5.871 11.037 ( -9.750 0.768 -2.671) 10.139 11.315 ( -5.080 -0.937 6.235) 8.097 11.812 ( 0.922 0.618 -0.948) 1.460 11.959 ( 1.859 2.763 1.679) 3.729 12.207 ( -0.454 1.182 1.568) 2.015 12.405 ( 2.997 -0.903 -1.751) 3.586 12.714 ( -0.489 9.294 -1.879) 9.495 13.552 ( -8.765 -5.939 2.784) 10.947 14.357 ( 6.436 -1.555 -0.081) 6.622 15.630 ( 2.428 7.829 -4.123) 9.175 16.175 ( -0.840 -0.588 -0.342) 1.081 26.577 ( 0.156 -1.452 -0.182) 1.472 26.618 ( -0.418 -1.532 -0.731) 1.748 26.773 ( 0.429 2.886 0.584) 2.976 26.834 ( -0.163 2.480 -0.003) 2.485 ======================= Grid point 27 (20/251) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 2.590 -6.406 -0.412) 6.922 2.581 ( 8.374 7.080 3.317) 11.456 2.676 ( 5.053 -7.541 4.643) 10.196 3.232 ( -14.363 -2.919 -4.741) 15.404 3.564 ( 1.113 4.552 -1.040) 4.800 3.925 ( 8.881 -6.683 6.255) 12.753 4.030 ( -2.280 -12.983 -4.023) 13.782 4.374 ( -11.946 -9.451 -3.393) 15.606 4.543 ( 4.090 -0.463 7.055) 8.167 4.827 ( -1.079 6.287 -3.051) 7.071 5.329 ( 2.243 -0.245 5.583) 6.021 5.474 ( 10.224 2.329 -12.843) 16.580 5.594 ( -1.014 -2.733 8.182) 8.686 5.802 ( 1.570 -0.436 -3.565) 3.920 5.909 ( -7.544 0.636 0.131) 7.572 6.288 ( 1.891 -4.654 2.057) 5.428 6.340 ( 0.985 -0.042 0.734) 1.229 6.731 ( -3.074 -3.803 -3.636) 6.093 7.464 ( -3.060 0.883 0.133) 3.187 7.768 ( 3.572 2.552 2.280) 4.947 7.871 ( -2.838 0.461 -0.892) 3.011 8.044 ( -0.351 -3.950 -1.676) 4.306 8.292 ( 1.606 7.488 0.098) 7.658 8.813 ( 0.114 3.111 1.278) 3.365 10.183 ( 1.206 1.037 1.083) 1.925 10.645 ( 5.356 -0.385 -0.959) 5.455 10.913 ( -8.041 2.837 -1.833) 8.721 10.999 ( 2.045 -12.347 0.966) 12.552 11.334 ( -3.236 -2.935 2.573) 5.071 11.809 ( 0.453 0.104 -1.750) 1.810 11.916 ( 0.641 3.748 1.243) 4.000 12.202 ( 0.999 0.246 1.961) 2.214 12.432 ( 1.803 -0.562 -1.054) 2.162 12.512 ( -0.345 11.231 -1.363) 11.319 13.609 ( -6.330 -6.165 0.596) 8.856 14.430 ( 6.098 -1.272 -0.273) 6.235 15.498 ( -1.212 6.459 -0.631) 6.602 16.187 ( 0.244 -1.052 -0.475) 1.180 26.608 ( -0.023 -1.902 -0.147) 1.908 26.644 ( -0.140 -1.642 -0.370) 1.689 26.724 ( 0.213 3.084 0.399) 3.117 26.791 ( -0.088 2.013 -0.003) 2.015 ======================= Grid point 28 (21/251) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -1.626 9.882 -0.410) 10.024 2.311 ( -0.294 19.743 -0.079) 19.745 2.910 ( 7.915 -4.825 2.247) 9.538 3.219 ( -7.789 -7.935 -1.718) 11.250 3.575 ( 1.066 -5.188 -1.425) 5.484 4.010 ( 2.513 8.769 4.411) 10.133 4.220 ( 7.139 -5.778 -7.907) 12.119 4.334 ( -10.915 3.507 6.759) 13.309 4.475 ( -0.951 6.505 -3.800) 7.593 4.782 ( -0.947 -3.625 1.387) 3.995 5.263 ( -0.763 3.536 0.012) 3.617 5.570 ( 13.002 -1.897 -4.976) 14.050 5.681 ( -4.320 -4.114 8.684) 10.536 5.812 ( -0.365 1.181 -2.159) 2.488 5.833 ( -3.940 -0.645 -1.690) 4.335 6.335 ( 0.868 0.329 1.521) 1.782 6.432 ( 2.360 -6.068 0.755) 6.554 6.783 ( -1.325 -4.980 -1.554) 5.383 7.424 ( -2.153 1.441 -0.307) 2.609 7.713 ( 1.081 4.951 0.760) 5.124 7.881 ( -1.367 -2.935 -0.206) 3.245 8.127 ( 2.897 -2.715 -0.099) 3.972 8.187 ( -2.032 2.421 -0.758) 3.250 8.765 ( -0.016 1.944 0.522) 2.013 10.183 ( 0.720 0.250 0.378) 0.851 10.666 ( 4.160 2.130 0.426) 4.693 10.784 ( -6.000 4.002 -1.111) 7.298 11.251 ( 3.083 -11.100 1.557) 11.625 11.376 ( -1.685 -3.135 -0.540) 3.600 11.792 ( -0.183 1.211 -1.298) 1.785 11.848 ( -0.146 4.128 0.561) 4.168 12.225 ( 1.300 -1.151 0.881) 1.947 12.342 ( -0.933 5.386 -0.528) 5.491 12.449 ( 0.308 -0.581 -0.257) 0.706 13.671 ( -2.877 -4.605 -0.155) 5.432 14.497 ( 4.758 -1.458 -0.545) 5.006 15.381 ( -2.793 4.657 0.983) 5.519 16.211 ( 0.502 -1.372 -0.283) 1.488 26.638 ( -0.039 -0.790 -0.022) 0.791 26.665 ( 0.006 -0.572 -0.137) 0.588 26.677 ( -0.030 1.457 0.168) 1.467 26.770 ( 0.006 -0.016 -0.026) 0.031 ======================= Grid point 29 (22/251) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -0.000 24.239 -0.000) 24.239 1.993 ( -0.000 20.694 -0.000) 20.694 3.000 ( 0.000 -3.015 0.000) 3.015 3.349 ( 0.000 -7.240 0.000) 7.240 3.609 ( -0.000 32.665 -0.000) 32.665 3.711 ( 0.000 -8.323 0.000) 8.323 4.149 ( -0.000 10.600 -0.000) 10.600 4.305 ( -0.000 1.600 -0.000) 1.600 4.375 ( -0.000 3.575 -0.000) 3.575 4.892 ( 0.000 -6.762 0.000) 6.762 5.259 ( 0.000 -3.638 0.000) 3.638 5.604 ( -0.000 8.117 -0.000) 8.117 5.723 ( 0.000 -5.947 0.000) 5.947 5.753 ( -0.000 1.796 -0.000) 1.796 5.886 ( 0.000 -3.734 0.000) 3.734 6.337 ( 0.000 -0.104 0.000) 0.104 6.531 ( 0.000 -3.147 0.000) 3.147 6.867 ( 0.000 -4.669 0.000) 4.669 7.370 ( -0.000 3.383 -0.000) 3.383 7.632 ( -0.000 4.642 -0.000) 4.642 7.942 ( 0.000 -4.178 0.000) 4.178 8.131 ( 0.000 -0.756 0.000) 0.756 8.220 ( 0.000 -3.115 0.000) 3.115 8.768 ( 0.000 -2.404 0.000) 2.404 10.179 ( -0.000 0.984 -0.000) 0.984 10.616 ( -0.000 6.015 -0.000) 6.015 10.695 ( -0.000 2.420 -0.000) 2.420 11.391 ( 0.000 -1.372 0.000) 1.372 11.398 ( 0.000 -0.117 0.000) 0.117 11.788 ( -0.000 1.937 -0.000) 1.937 11.796 ( 0.000 -3.157 0.000) 3.157 12.266 ( 0.000 -2.484 0.000) 2.484 12.334 ( 0.000 -4.983 0.000) 4.983 12.456 ( 0.000 -0.303 0.000) 0.303 13.722 ( 0.000 -2.261 0.000) 2.261 14.547 ( 0.000 -1.714 0.000) 1.714 15.301 ( -0.000 2.855 -0.000) 2.855 16.237 ( 0.000 -1.308 0.000) 1.308 26.609 ( -0.000 2.481 -0.000) 2.481 26.661 ( -0.000 0.715 -0.000) 0.715 26.700 ( 0.000 -2.524 0.000) 2.524 26.792 ( 0.000 -2.125 0.000) 2.125 ======================= Grid point 34 (23/251) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 19.310 0.000 4.963) 19.937 1.262 ( 17.589 0.000 9.357) 19.923 2.397 ( -10.364 -0.000 -1.464) 10.467 2.833 ( 43.473 0.000 20.564) 48.091 3.270 ( -13.270 -0.000 2.313) 13.470 3.424 ( -6.421 -0.000 -8.555) 10.696 3.681 ( 1.839 0.000 5.730) 6.018 4.357 ( 3.962 0.000 -0.969) 4.079 4.556 ( 0.393 0.000 1.809) 1.851 4.559 ( -11.497 -0.000 -2.394) 11.743 5.210 ( -3.852 -0.000 -6.137) 7.246 5.513 ( 5.639 0.000 -1.444) 5.821 5.597 ( -12.405 -0.000 -3.081) 12.782 5.682 ( 6.416 0.000 -0.102) 6.417 5.960 ( -2.580 -0.000 -0.521) 2.632 6.346 ( -3.274 -0.000 2.087) 3.883 6.521 ( -4.838 -0.000 -8.614) 9.879 6.624 ( 5.588 0.000 -9.303) 10.852 7.529 ( 2.983 0.000 -2.616) 3.968 7.626 ( 4.161 0.000 6.143) 7.420 7.996 ( -4.940 -0.000 1.160) 5.075 8.340 ( -0.397 -0.000 -2.930) 2.956 8.477 ( 3.120 0.000 5.465) 6.293 8.795 ( -4.709 -0.000 2.137) 5.171 10.197 ( 5.288 0.000 -0.353) 5.300 10.483 ( 1.889 0.000 -2.002) 2.753 10.798 ( 0.112 0.000 1.335) 1.340 10.950 ( -0.127 -0.000 -13.213) 13.214 11.420 ( -12.572 -0.000 15.221) 19.742 11.910 ( -0.064 -0.000 6.017) 6.017 12.028 ( 4.087 0.000 -2.741) 4.921 12.247 ( 4.188 0.000 5.358) 6.801 12.280 ( -4.223 -0.000 -0.724) 4.285 12.705 ( -6.153 -0.000 -2.968) 6.831 13.562 ( -2.284 -0.000 7.658) 7.991 14.208 ( 8.693 0.000 0.083) 8.694 15.965 ( 8.343 0.000 -17.705) 19.572 16.168 ( -4.493 -0.000 2.234) 5.018 26.549 ( 0.363 0.000 -0.908) 0.978 26.568 ( -0.660 -0.000 -0.886) 1.105 26.860 ( 0.528 0.000 0.742) 0.911 26.915 ( -0.088 -0.000 -0.123) 0.151 ======================= Grid point 35 (24/251) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 15.518 -11.012 2.460) 19.187 1.595 ( 13.997 -17.340 8.886) 23.991 2.380 ( -8.633 -7.054 -0.740) 11.173 3.190 ( 10.524 -2.289 9.177) 14.149 3.320 ( 9.376 -8.742 7.745) 14.977 3.416 ( -2.395 -6.910 -6.440) 9.744 3.752 ( 5.138 -2.345 7.850) 9.671 4.294 ( -8.352 10.180 -0.489) 13.177 4.327 ( -1.114 2.009 -6.455) 6.851 4.763 ( -1.108 -13.033 2.889) 13.396 5.133 ( -2.756 2.356 -6.047) 7.051 5.499 ( -10.350 -1.015 -1.850) 10.563 5.588 ( 5.386 -3.409 -1.644) 6.583 5.724 ( 6.371 0.968 -2.507) 6.914 5.938 ( -4.395 -0.094 1.697) 4.712 6.307 ( -2.362 2.150 0.549) 3.241 6.453 ( -3.804 1.207 -4.683) 6.153 6.632 ( 2.634 -0.273 -6.551) 7.066 7.532 ( 1.406 0.816 -0.559) 1.719 7.693 ( 3.436 -1.694 2.536) 4.594 7.951 ( -4.835 0.928 0.074) 4.924 8.254 ( -0.573 6.741 -1.146) 6.862 8.544 ( 4.848 -0.395 4.714) 6.774 8.791 ( -4.010 -2.734 0.434) 4.873 10.281 ( 5.967 -3.749 0.282) 7.052 10.418 ( 2.982 6.289 -1.604) 7.143 10.776 ( 0.810 1.476 -0.528) 1.765 10.955 ( -7.141 -4.820 -5.944) 10.468 11.359 ( -6.814 2.301 9.286) 11.746 11.892 ( 0.522 3.310 3.320) 4.717 12.036 ( 2.956 1.357 -0.545) 3.298 12.241 ( -2.987 0.633 0.006) 3.054 12.339 ( 4.315 -3.102 1.608) 5.552 12.714 ( -6.513 -6.304 -2.554) 9.417 13.532 ( -2.210 3.409 5.178) 6.581 14.288 ( 6.893 -1.692 -0.029) 7.097 15.910 ( 5.136 6.008 -10.153) 12.867 16.152 ( -2.890 -0.828 0.789) 3.108 26.548 ( 0.273 -0.170 -0.394) 0.509 26.571 ( -0.592 -0.998 -0.890) 1.463 26.854 ( 0.454 1.326 0.610) 1.528 26.904 ( -0.108 1.095 -0.091) 1.104 ======================= Grid point 36 (25/251) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 9.304 -15.133 1.100) 17.799 2.086 ( 12.718 -20.874 7.706) 25.629 2.489 ( -6.371 -11.053 -0.646) 12.774 3.307 ( 3.739 -0.683 3.929) 5.466 3.485 ( -0.360 -8.733 -5.025) 10.082 3.564 ( -5.263 -9.011 1.885) 10.605 3.844 ( 4.815 2.819 9.904) 11.367 4.132 ( -4.860 0.334 -8.175) 9.516 4.332 ( 5.900 -4.781 4.683) 8.922 4.983 ( -0.102 -6.933 -4.875) 8.476 5.072 ( -0.526 -2.858 2.527) 3.851 5.455 ( -7.442 -2.423 -1.654) 7.999 5.683 ( 7.052 -0.254 -3.640) 7.940 5.746 ( 5.458 -0.982 -2.538) 6.099 5.901 ( -7.118 0.115 3.827) 8.082 6.246 ( -1.510 2.614 -0.677) 3.094 6.388 ( -2.448 1.767 -0.850) 3.136 6.635 ( -0.115 -1.167 -4.754) 4.897 7.515 ( -0.760 1.601 0.909) 1.992 7.752 ( 3.238 -1.589 0.684) 3.671 7.898 ( -4.005 0.401 -1.368) 4.251 8.119 ( -0.766 7.050 -0.151) 7.094 8.556 ( 4.364 4.936 2.861) 7.182 8.827 ( -1.897 -3.159 0.329) 3.699 10.298 ( 2.142 5.399 1.210) 5.933 10.461 ( 6.475 -7.332 -1.666) 9.923 10.771 ( 1.420 -0.293 -0.362) 1.495 10.936 ( -10.066 -2.231 -2.106) 10.524 11.306 ( -3.534 1.537 4.839) 6.186 11.846 ( 0.679 2.682 0.574) 2.826 12.024 ( 1.830 2.244 0.708) 2.981 12.218 ( -0.964 0.227 0.690) 1.207 12.408 ( 3.305 -1.126 -0.687) 3.559 12.757 ( -4.084 -2.497 -1.926) 5.160 13.468 ( -3.391 1.708 3.077) 4.887 14.369 ( 4.937 -2.000 -0.095) 5.328 15.782 ( 2.051 8.293 -4.249) 9.541 16.154 ( -1.012 -0.924 -0.240) 1.391 26.558 ( 0.217 -0.789 -0.102) 0.825 26.586 ( -0.476 -1.388 -0.676) 1.615 26.826 ( 0.397 2.322 0.476) 2.403 26.874 ( -0.166 2.030 -0.083) 2.038 ======================= Grid point 37 (26/251) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 3.204 -12.801 0.101) 13.196 2.548 ( 9.844 -15.656 7.204) 19.847 2.637 ( -0.529 -9.226 -1.475) 9.358 3.163 ( -7.512 11.418 -2.228) 13.848 3.637 ( 2.119 -3.104 -5.140) 6.367 3.742 ( -5.558 -14.290 2.886) 15.602 3.881 ( 7.486 -3.925 9.196) 12.491 4.102 ( -8.614 -6.689 -8.901) 14.077 4.543 ( 5.823 -6.349 5.983) 10.489 4.916 ( -1.517 5.134 -3.722) 6.520 5.295 ( 5.642 -10.731 4.219) 12.836 5.441 ( -5.087 -2.171 -3.804) 6.712 5.658 ( 4.847 5.534 -1.730) 7.557 5.809 ( 2.486 -0.732 -1.484) 2.986 5.863 ( -5.556 -0.624 2.170) 5.998 6.219 ( -0.522 -2.036 -0.072) 2.103 6.357 ( -0.443 0.610 0.688) 1.021 6.645 ( -1.182 -2.223 -2.729) 3.713 7.472 ( -1.475 2.047 0.414) 2.557 7.809 ( 3.351 -0.981 1.673) 3.871 7.871 ( -2.699 -0.541 -1.752) 3.263 8.006 ( -1.026 3.540 -0.482) 3.717 8.462 ( 1.996 8.550 0.805) 8.816 8.850 ( -0.293 0.218 0.553) 0.663 10.233 ( 0.952 3.311 0.742) 3.525 10.644 ( 6.280 -6.124 -1.237) 8.859 10.825 ( 0.559 -5.942 0.695) 6.009 10.872 ( -8.076 0.316 -0.965) 8.140 11.288 ( -1.742 -0.683 1.914) 2.677 11.817 ( 0.334 1.047 -0.434) 1.182 11.988 ( 0.694 3.175 0.590) 3.303 12.217 ( 0.206 0.121 0.889) 0.921 12.435 ( 1.489 -0.280 -0.707) 1.672 12.689 ( -0.818 7.409 -0.956) 7.515 13.470 ( -3.128 -4.172 0.958) 5.302 14.435 ( 2.891 -1.956 -0.082) 3.492 15.628 ( 0.123 8.539 -1.114) 8.612 16.166 ( -0.102 -1.076 -0.286) 1.118 26.578 ( 0.059 -1.324 -0.050) 1.326 26.610 ( -0.185 -1.757 -0.289) 1.790 26.782 ( 0.215 2.982 0.260) 3.001 26.831 ( -0.111 2.427 -0.048) 2.430 ======================= Grid point 38 (27/251) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 -4.181 0.000) 4.181 2.608 ( -0.000 10.048 -0.000) 10.048 2.936 ( -0.000 2.738 -0.000) 2.738 2.951 ( 0.000 -14.793 0.000) 14.793 3.573 ( -0.000 4.419 -0.000) 4.419 3.979 ( 0.000 -11.967 0.000) 11.967 4.135 ( 0.000 -5.964 0.000) 5.964 4.164 ( 0.000 -12.805 0.000) 12.805 4.604 ( -0.000 3.814 -0.000) 3.814 4.804 ( -0.000 5.057 -0.000) 5.057 5.355 ( -0.000 5.380 -0.000) 5.380 5.547 ( 0.000 -9.421 0.000) 9.421 5.605 ( -0.000 0.931 -0.000) 0.931 5.801 ( -0.000 0.754 -0.000) 0.754 5.844 ( -0.000 1.101 -0.000) 1.101 6.313 ( 0.000 -7.324 0.000) 7.324 6.350 ( -0.000 0.461 -0.000) 0.461 6.690 ( 0.000 -4.041 0.000) 4.041 7.437 ( -0.000 1.202 -0.000) 1.202 7.812 ( -0.000 4.995 -0.000) 4.995 7.841 ( 0.000 -1.019 0.000) 1.019 8.031 ( 0.000 -5.707 0.000) 5.707 8.308 ( -0.000 8.910 -0.000) 8.910 8.818 ( -0.000 3.012 -0.000) 3.012 10.198 ( -0.000 1.239 -0.000) 1.239 10.716 ( -0.000 0.297 -0.000) 0.297 10.806 ( -0.000 2.366 -0.000) 2.366 11.024 ( 0.000 -13.917 0.000) 13.917 11.315 ( 0.000 -2.609 0.000) 2.609 11.806 ( -0.000 0.469 -0.000) 0.469 11.925 ( -0.000 4.122 -0.000) 4.122 12.220 ( 0.000 -0.215 0.000) 0.215 12.443 ( 0.000 -0.262 0.000) 0.262 12.503 ( -0.000 11.390 -0.000) 11.390 13.558 ( 0.000 -6.231 0.000) 6.231 14.482 ( 0.000 -1.901 0.000) 1.901 15.482 ( -0.000 7.270 -0.000) 7.270 16.187 ( 0.000 -1.320 0.000) 1.320 26.607 ( 0.000 -1.845 0.000) 1.845 26.641 ( 0.000 -1.758 0.000) 1.758 26.727 ( -0.000 3.201 -0.000) 3.201 26.790 ( -0.000 1.950 -0.000) 1.950 ======================= Grid point 45 (28/251) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 11.762 0.000 3.066) 12.155 1.542 ( 10.736 0.000 5.651) 12.132 2.245 ( -7.228 -0.000 -1.018) 7.299 3.091 ( -8.130 -0.000 -0.292) 8.135 3.288 ( -5.419 -0.000 -1.669) 5.670 3.605 ( 36.506 0.000 14.759) 39.376 3.790 ( 6.284 0.000 7.053) 9.446 4.249 ( -9.345 -0.000 -11.020) 14.449 4.480 ( -1.858 -0.000 4.993) 5.327 4.505 ( -8.127 -0.000 -2.591) 8.530 5.096 ( -4.730 -0.000 -6.629) 8.144 5.399 ( -8.993 -0.000 -1.079) 9.058 5.602 ( 5.779 0.000 -0.425) 5.795 5.774 ( 5.594 0.000 -2.180) 6.004 5.915 ( -3.498 -0.000 1.945) 4.003 6.318 ( -1.738 -0.000 1.303) 2.172 6.409 ( -3.309 -0.000 -4.885) 5.900 6.642 ( 2.486 0.000 -4.176) 4.860 7.550 ( 1.544 0.000 -1.739) 2.325 7.706 ( 2.161 0.000 2.657) 3.424 7.931 ( -3.584 -0.000 0.643) 3.641 8.326 ( 0.273 0.000 -1.370) 1.397 8.568 ( 3.594 0.000 4.462) 5.729 8.737 ( -3.487 -0.000 -0.177) 3.492 10.301 ( 7.487 0.000 0.335) 7.494 10.495 ( 1.032 0.000 -1.339) 1.691 10.806 ( 0.009 0.000 0.799) 0.799 10.808 ( -8.536 -0.000 -5.084) 9.935 11.366 ( -3.638 -0.000 5.349) 6.469 11.948 ( 0.464 0.000 3.629) 3.658 12.065 ( 2.222 0.000 -1.278) 2.563 12.222 ( -2.431 -0.000 -0.717) 2.535 12.350 ( 4.635 0.000 4.167) 6.233 12.591 ( -5.554 -0.000 -3.241) 6.431 13.572 ( -0.981 -0.000 3.115) 3.266 14.321 ( 5.177 0.000 -0.070) 5.178 15.974 ( 3.788 0.000 -7.830) 8.699 16.120 ( -2.982 -0.000 1.429) 3.307 26.548 ( 0.156 0.000 -0.389) 0.419 26.555 ( -0.383 -0.000 -0.514) 0.640 26.871 ( 0.301 0.000 0.426) 0.521 26.913 ( -0.060 -0.000 -0.079) 0.099 ======================= Grid point 46 (29/251) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 6.059 -9.425 0.983) 11.248 1.803 ( 5.902 -18.231 3.670) 19.510 2.268 ( -4.036 -7.595 -0.558) 8.619 3.139 ( -3.366 -10.271 -0.385) 10.815 3.312 ( -2.968 -6.910 -0.780) 7.560 3.729 ( 14.663 12.171 6.573) 20.157 3.933 ( 2.768 1.136 6.033) 6.735 4.113 ( -1.218 1.965 -5.647) 6.102 4.326 ( -0.349 -0.199 0.884) 0.971 4.715 ( -5.033 -16.092 -1.760) 16.952 5.045 ( -2.693 -0.171 -2.898) 3.960 5.363 ( -4.282 -1.934 -0.483) 4.723 5.667 ( 3.672 -2.909 -0.232) 4.690 5.798 ( 4.844 0.624 -3.231) 5.855 5.881 ( -4.417 1.587 3.137) 5.645 6.288 ( -0.432 2.369 0.114) 2.410 6.375 ( -2.415 0.140 -1.806) 3.018 6.633 ( 1.066 1.041 -2.136) 2.605 7.543 ( 0.387 1.206 -0.180) 1.279 7.739 ( 1.256 -1.480 0.474) 1.998 7.894 ( -2.095 1.625 0.085) 2.653 8.246 ( -0.024 6.964 -0.259) 6.969 8.645 ( 4.234 -0.410 3.121) 5.276 8.730 ( -3.522 -3.780 -1.182) 5.299 10.386 ( 5.682 -2.036 1.161) 6.146 10.437 ( 0.502 4.239 -1.481) 4.518 10.763 ( -2.899 -2.111 -1.582) 3.919 10.818 ( -3.767 -1.491 -0.124) 4.054 11.337 ( -1.492 2.243 2.360) 3.581 11.917 ( 0.428 3.908 1.272) 4.132 12.067 ( 1.113 1.043 -0.174) 1.536 12.208 ( -1.060 -0.355 -0.053) 1.120 12.414 ( 3.173 -1.067 1.223) 3.564 12.611 ( -3.924 -7.003 -1.554) 8.176 13.532 ( -0.653 4.237 1.515) 4.547 14.366 ( 2.663 -1.484 -0.060) 3.049 15.915 ( 1.275 6.000 -2.910) 6.789 16.124 ( -0.957 -1.460 0.115) 1.750 26.550 ( 0.152 -0.298 -0.053) 0.339 26.560 ( -0.286 -0.872 -0.386) 0.995 26.862 ( 0.186 1.261 0.238) 1.297 26.902 ( -0.063 1.152 -0.053) 1.155 ======================= Grid point 47 (30/251) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.000 -13.759 0.000) 13.759 2.233 ( 0.000 -23.997 0.000) 23.997 2.423 ( 0.000 -10.697 0.000) 10.697 3.336 ( 0.000 -5.039 0.000) 5.039 3.475 ( 0.000 -12.335 0.000) 12.335 3.518 ( -0.000 7.547 -0.000) 7.547 3.948 ( 0.000 -3.004 0.000) 3.004 4.015 ( -0.000 7.136 -0.000) 7.136 4.451 ( 0.000 -7.741 0.000) 7.741 4.926 ( 0.000 -5.252 0.000) 5.252 5.090 ( 0.000 -9.902 0.000) 9.902 5.384 ( 0.000 -2.000 0.000) 2.000 5.743 ( 0.000 -2.085 0.000) 2.085 5.807 ( -0.000 2.880 -0.000) 2.880 5.822 ( 0.000 -0.946 0.000) 0.946 6.233 ( -0.000 3.062 -0.000) 3.062 6.359 ( -0.000 0.149 -0.000) 0.149 6.620 ( -0.000 0.142 -0.000) 0.142 7.511 ( -0.000 2.401 -0.000) 2.401 7.787 ( 0.000 -3.156 0.000) 3.156 7.853 ( -0.000 1.554 -0.000) 1.554 8.113 ( -0.000 7.349 -0.000) 7.349 8.605 ( -0.000 5.797 -0.000) 5.797 8.811 ( 0.000 -4.422 0.000) 4.422 10.320 ( -0.000 5.643 -0.000) 5.643 10.523 ( 0.000 -7.757 0.000) 7.757 10.804 ( 0.000 -0.031 0.000) 0.031 10.805 ( 0.000 -2.560 0.000) 2.560 11.295 ( -0.000 1.714 -0.000) 1.714 11.854 ( -0.000 3.047 -0.000) 3.047 12.041 ( -0.000 2.289 -0.000) 2.289 12.214 ( 0.000 -0.522 0.000) 0.522 12.436 ( 0.000 -0.275 0.000) 0.275 12.712 ( 0.000 -3.985 0.000) 3.985 13.453 ( -0.000 3.162 -0.000) 3.162 14.410 ( 0.000 -2.056 0.000) 2.056 15.782 ( -0.000 8.387 -0.000) 8.387 16.145 ( 0.000 -1.203 0.000) 1.203 26.560 ( 0.000 -0.744 0.000) 0.744 26.579 ( 0.000 -1.458 0.000) 1.458 26.831 ( -0.000 2.300 -0.000) 2.300 26.872 ( -0.000 2.054 -0.000) 2.054 ======================= Grid point 58 (31/251) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.073 ( -0.000 -0.000 -0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.273 ( -0.000 -0.000 -0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 -0.000) 0.000 5.326 ( 0.000 0.000 -0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.813 ( -0.000 -0.000 0.000) 0.000 5.889 ( 0.000 0.000 -0.000) 0.000 6.309 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 -0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 -0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.696 ( -0.000 -0.000 -0.000) 0.000 10.387 ( 0.000 0.000 -0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.693 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 11.359 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.079 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.510 ( -0.000 -0.000 -0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 -0.000) 0.000 15.977 ( 0.000 0.000 -0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000 26.548 ( 0.000 0.000 0.000) 0.000 26.550 ( 0.000 0.000 0.000) 0.000 26.875 ( 0.000 0.000 0.000) 0.000 26.912 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/251) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.098 -0.000 28.780) 28.781 0.588 ( -6.120 -0.000 28.706) 29.352 0.872 ( 15.362 0.000 41.915) 44.641 2.844 ( -4.901 -0.000 7.305) 8.797 3.588 ( 1.477 0.000 1.122) 1.855 3.738 ( -2.387 -0.000 -4.559) 5.146 3.868 ( 13.880 0.000 -4.842) 14.700 3.903 ( -8.524 -0.000 -9.524) 12.781 4.304 ( 6.071 0.000 2.182) 6.451 4.852 ( -1.657 -0.000 -7.424) 7.606 5.095 ( 7.039 0.000 -0.346) 7.047 5.470 ( 0.325 0.000 0.373) 0.495 5.526 ( -1.250 -0.000 2.440) 2.742 5.969 ( -1.560 -0.000 -0.317) 1.592 6.008 ( -2.127 -0.000 -2.449) 3.243 6.414 ( 2.498 0.000 -2.683) 3.666 6.852 ( -9.475 -0.000 -5.980) 11.204 7.063 ( -60.021 -0.000 1.688) 60.045 7.329 ( 8.828 0.000 7.740) 11.740 7.425 ( 0.737 0.000 -1.459) 1.634 8.075 ( 1.551 0.000 -3.091) 3.458 8.337 ( 3.832 0.000 -2.330) 4.485 8.480 ( -3.652 -0.000 2.525) 4.440 8.850 ( 32.113 0.000 -3.758) 32.332 10.018 ( 11.142 0.000 1.196) 11.206 10.151 ( -4.217 -0.000 3.539) 5.505 10.402 ( 0.248 0.000 -2.763) 2.774 10.778 ( 0.524 0.000 0.716) 0.887 11.727 ( 6.129 0.000 -6.055) 8.615 12.011 ( 0.495 0.000 1.270) 1.363 12.048 ( -4.329 -0.000 7.128) 8.339 12.406 ( 3.327 0.000 0.596) 3.380 12.486 ( -1.216 -0.000 1.524) 1.950 12.871 ( 2.269 0.000 -7.722) 8.048 13.878 ( 0.295 0.000 0.724) 0.781 14.119 ( 45.040 0.000 1.634) 45.070 16.147 (-103.856 -0.000 0.029) 103.856 16.278 ( 1.805 0.000 -0.085) 1.807 26.533 ( -3.481 -0.000 -0.108) 3.483 26.600 ( -0.514 -0.000 -0.754) 0.913 26.836 ( 0.368 0.000 0.834) 0.911 26.920 ( -0.117 -0.000 0.109) 0.160 ======================= Grid point 106 (33/251) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 9.105 -13.234 14.544) 21.669 0.935 ( 9.950 -15.666 23.005) 29.557 1.614 ( 18.021 -36.897 31.262) 51.608 2.885 ( -6.805 -6.939 5.081) 10.967 3.566 ( -2.310 2.696 -1.066) 3.706 3.630 ( -1.435 2.498 -7.247) 7.798 3.897 ( -4.118 -5.146 -6.061) 8.954 4.018 ( 9.262 -5.830 -2.340) 11.191 4.341 ( 6.243 1.687 0.896) 6.528 4.867 ( -1.647 -5.594 -6.878) 9.017 5.085 ( 3.757 5.243 -2.487) 6.913 5.462 ( 1.629 1.486 -5.332) 5.770 5.554 ( -3.155 -3.726 3.546) 6.035 5.927 ( -4.653 0.958 -2.359) 5.304 6.022 ( 1.388 -1.242 -2.994) 3.526 6.446 ( -0.308 -2.656 -2.024) 3.354 6.563 ( -16.268 8.480 9.822) 20.810 6.851 ( -14.636 -3.989 1.416) 15.236 7.412 ( 7.784 0.920 4.176) 8.881 7.444 ( 2.234 -1.494 0.861) 2.822 8.086 ( -0.473 -0.250 -3.298) 3.341 8.344 ( 4.015 2.081 -1.471) 4.755 8.417 ( -4.638 3.822 1.962) 6.322 8.921 ( 7.708 4.358 -6.800) 11.164 10.087 ( 8.630 1.534 0.247) 8.769 10.191 ( -1.426 -4.799 3.008) 5.840 10.578 ( 5.193 -7.553 -10.256) 13.755 10.860 ( 2.129 -9.059 -2.637) 9.672 11.720 ( 4.024 3.701 0.612) 5.501 11.946 ( -1.578 6.985 6.398) 9.603 12.011 ( -1.509 1.018 2.747) 3.295 12.400 ( -4.163 -0.594 1.254) 4.388 12.429 ( -4.150 3.370 0.723) 5.394 12.911 ( -0.496 -1.584 -4.316) 4.625 13.829 ( 3.414 5.061 5.757) 8.391 14.383 ( 12.063 -0.629 -11.142) 16.433 15.411 ( -41.174 5.257 19.212) 45.739 16.285 ( 0.328 0.398 0.445) 0.681 26.524 ( -0.335 -0.572 0.216) 0.697 26.604 ( -0.669 -0.877 -1.306) 1.710 26.831 ( 0.442 1.194 0.950) 1.588 26.908 ( -0.154 1.143 0.056) 1.155 ======================= Grid point 107 (34/251) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 12.650 -22.405 1.795) 25.792 1.401 ( 11.731 -18.264 16.908) 27.515 2.523 ( 14.736 -37.588 22.207) 46.078 2.983 ( -7.249 -7.490 2.363) 10.688 3.472 ( -0.880 2.388 -3.817) 4.588 3.626 ( 0.427 -2.895 -8.643) 9.125 3.918 ( 0.975 -0.014 -3.257) 3.400 4.208 ( 1.766 -9.822 3.926) 10.724 4.342 ( 3.068 1.216 -2.625) 4.217 4.950 ( -2.686 -5.449 -6.168) 8.657 5.009 ( 3.711 3.008 -4.451) 6.529 5.400 ( 0.572 3.396 -8.645) 9.305 5.622 ( -2.764 -4.778 2.742) 6.163 5.856 ( -5.741 1.024 -3.140) 6.623 6.025 ( 1.186 1.090 0.743) 1.774 6.404 ( -5.199 2.503 4.084) 7.069 6.491 ( -4.196 -1.621 1.534) 4.752 6.848 ( -8.747 -4.691 2.431) 10.219 7.458 ( 5.045 -0.560 -0.431) 5.094 7.505 ( 5.168 -0.337 3.550) 6.279 8.054 ( -0.797 1.788 -2.755) 3.380 8.275 ( -3.988 5.783 0.287) 7.030 8.340 ( 2.638 3.390 0.428) 4.317 8.863 ( 4.130 4.212 -5.314) 7.939 10.127 ( 3.198 -0.544 0.705) 3.320 10.314 ( -1.519 -8.819 2.192) 9.213 10.641 ( 3.518 -1.070 -4.268) 5.634 11.041 ( 2.465 -8.847 -6.126) 11.039 11.677 ( -1.325 3.873 9.392) 10.246 11.854 ( 1.109 4.497 1.624) 4.908 11.979 ( -2.411 1.993 3.094) 4.400 12.329 ( -3.927 3.744 -1.014) 5.519 12.385 ( -4.359 -1.030 1.519) 4.730 12.851 ( 0.042 7.110 1.745) 7.321 13.806 ( 2.734 2.492 4.398) 5.747 14.346 ( -7.891 -0.519 -7.965) 11.224 15.303 ( 0.645 -0.342 3.269) 3.349 16.272 ( -0.960 0.931 0.501) 1.428 26.541 ( 0.216 -1.202 0.008) 1.221 26.611 ( -0.474 -0.945 -1.235) 1.626 26.807 ( 0.370 2.197 0.919) 2.410 26.879 ( -0.073 2.003 0.040) 2.005 ======================= Grid point 108 (35/251) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 12.380 -21.873 -2.176) 25.227 1.865 ( 11.541 -17.171 12.265) 24.051 2.990 ( -9.902 -0.764 2.169) 10.165 3.267 ( 6.830 -24.701 7.984) 26.843 3.467 ( 7.110 0.709 0.211) 7.148 3.641 ( -1.081 -2.305 -13.048) 13.294 3.922 ( 4.876 -1.439 -3.021) 5.914 4.298 ( -3.158 -2.658 4.859) 6.376 4.482 ( -0.502 -13.616 2.668) 13.884 4.903 ( -0.505 3.924 -2.574) 4.720 5.038 ( 9.463 0.785 -13.547) 16.543 5.320 ( -2.733 0.771 -6.789) 7.359 5.678 ( -3.672 -2.407 2.754) 5.183 5.799 ( -4.766 -0.743 -1.800) 5.149 6.033 ( 1.959 -0.417 3.405) 3.951 6.350 ( -3.269 1.773 2.065) 4.254 6.465 ( -6.877 0.334 4.319) 8.128 6.873 ( -6.932 -3.556 2.649) 8.229 7.517 ( 3.386 -2.449 -1.227) 4.355 7.551 ( 5.832 1.151 2.618) 6.495 7.998 ( -0.328 2.692 -3.295) 4.267 8.144 ( -5.445 4.004 1.293) 6.882 8.295 ( 3.226 4.356 -0.865) 5.489 8.810 ( 3.756 3.529 -2.810) 5.870 10.156 ( 0.656 -0.597 0.867) 1.240 10.472 ( -0.992 -8.174 1.636) 8.395 10.695 ( 3.796 -3.726 -1.287) 5.472 11.149 ( -0.730 -4.172 -4.939) 6.506 11.631 ( -4.232 2.720 11.547) 12.595 11.804 ( -0.856 1.974 0.485) 2.206 11.933 ( -0.503 2.340 2.978) 3.821 12.246 ( -1.587 2.135 -1.269) 2.947 12.379 ( -3.247 -0.942 1.975) 3.915 12.691 ( 1.159 11.534 2.773) 11.919 13.800 ( 1.788 1.372 0.541) 2.318 14.277 ( -5.983 -1.260 -8.112) 10.158 15.352 ( 6.863 -0.453 -0.525) 6.898 16.243 ( -1.758 1.130 0.250) 2.105 26.569 ( 0.196 -1.775 -0.075) 1.787 26.623 ( -0.253 -1.188 -1.005) 1.577 26.768 ( 0.267 2.715 0.874) 2.865 26.838 ( -0.059 2.487 0.021) 2.487 ======================= Grid point 109 (36/251) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 9.592 -16.386 -3.577) 19.321 2.259 ( 9.909 -12.427 7.928) 17.762 2.848 ( -8.616 7.893 1.528) 11.784 3.413 ( 3.308 9.227 -11.620) 15.203 3.542 ( -1.860 -7.517 -1.139) 7.827 3.675 ( 2.312 -3.610 -3.643) 5.626 4.032 ( 3.900 -6.271 -8.313) 11.119 4.448 ( 3.276 -9.304 8.712) 13.161 4.703 ( -4.482 -8.689 4.727) 10.860 4.821 ( 0.177 2.742 0.516) 2.796 5.020 ( 12.557 3.877 -17.676) 22.026 5.292 ( -2.817 -1.881 -2.831) 4.415 5.656 ( -4.596 1.478 3.140) 5.759 5.794 ( -2.770 -1.896 -0.193) 3.363 6.100 ( 2.353 -3.029 4.936) 6.251 6.278 ( -3.678 3.081 -0.432) 4.817 6.438 ( -5.201 -0.473 9.813) 11.117 6.878 ( -5.998 -1.914 2.454) 6.757 7.551 ( -1.048 -0.381 0.099) 1.119 7.600 ( 7.474 0.204 0.174) 7.479 7.941 ( 0.309 1.698 -4.149) 4.494 8.074 ( -4.856 -0.156 1.862) 5.203 8.231 ( 2.271 4.336 -2.205) 5.369 8.775 ( 2.928 2.828 -0.717) 4.134 10.164 ( 0.068 0.267 1.029) 1.065 10.576 ( -1.123 -3.859 2.104) 4.537 10.837 ( 5.547 -7.595 -1.050) 9.464 11.140 ( -4.466 1.106 -2.414) 5.196 11.581 ( -5.250 3.184 9.632) 11.423 11.772 ( -1.601 -0.047 -1.118) 1.953 11.922 ( 0.743 0.579 4.048) 4.156 12.223 ( -1.228 -0.340 1.760) 2.173 12.381 ( -0.574 0.145 2.864) 2.924 12.503 ( 0.623 9.261 -0.585) 9.301 13.784 ( 1.257 1.228 -3.013) 3.488 14.241 ( -1.304 -0.808 -7.810) 7.959 15.415 ( 5.193 -1.365 0.110) 5.370 16.211 ( -1.654 0.750 -0.046) 1.816 26.606 ( 0.044 -2.178 -0.174) 2.186 26.642 ( 0.011 -1.270 -0.713) 1.457 26.723 ( 0.105 2.649 0.856) 2.786 26.794 ( -0.070 2.178 -0.042) 2.179 ======================= Grid point 110 (37/251) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 2.094 -0.256 -4.690) 5.143 2.393 ( -2.528 8.839 1.474) 9.310 2.712 ( 2.175 -1.217 4.208) 4.891 3.257 ( 5.850 3.848 -15.103) 16.648 3.561 ( -7.616 -2.798 -5.632) 9.877 3.786 ( 10.146 -2.621 0.553) 10.493 4.108 ( 3.320 -1.101 -7.999) 8.730 4.503 ( -1.235 7.786 -0.834) 7.927 4.691 ( -4.711 4.955 7.591) 10.216 4.885 ( -3.893 -5.807 4.610) 8.374 4.985 ( 7.570 1.131 -19.087) 20.564 5.331 ( 1.691 -3.481 0.445) 3.896 5.653 ( 2.011 -3.051 1.809) 4.077 5.801 ( -1.583 -0.023 1.980) 2.536 6.126 ( -7.924 0.764 3.086) 8.538 6.275 ( 7.296 -2.000 3.957) 8.538 6.456 ( -3.959 -0.956 12.171) 12.835 6.876 ( -4.535 -1.962 2.120) 5.376 7.539 ( -2.673 -0.126 -0.134) 2.680 7.620 ( 4.810 3.262 -0.457) 5.830 7.933 ( 0.286 -2.141 -3.788) 4.361 8.069 ( -2.629 -0.739 3.171) 4.185 8.183 ( 1.519 0.608 -4.242) 4.547 8.747 ( 1.464 1.786 -0.875) 2.470 10.160 ( 0.444 0.732 1.139) 1.425 10.621 ( -1.303 -1.402 2.917) 3.489 10.946 ( -1.355 1.856 -4.221) 4.806 11.109 ( 3.081 -3.737 1.984) 5.234 11.501 ( -3.157 4.770 7.005) 9.044 11.770 ( -0.807 -1.097 -2.715) 3.038 11.924 ( -1.652 1.479 5.058) 5.523 12.212 ( -0.433 2.852 4.762) 5.568 12.375 ( -0.884 -1.726 -1.262) 2.314 12.444 ( -0.735 -2.281 1.278) 2.716 13.757 ( 1.751 1.547 -5.092) 5.603 14.225 ( 2.550 0.348 -7.722) 8.139 15.487 ( 1.061 -3.529 2.280) 4.334 16.194 ( -0.669 0.017 -0.273) 0.723 26.640 ( -0.054 -0.861 -0.077) 0.866 26.656 ( 0.241 -0.398 -0.553) 0.723 26.689 ( -0.270 0.868 0.835) 1.235 26.768 ( 0.029 0.237 -0.176) 0.297 ======================= Grid point 111 (38/251) ======================= q-point: (-0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -5.239 19.443 -6.555) 21.177 2.060 ( -8.369 18.736 0.099) 20.521 2.838 ( 6.933 -3.596 1.309) 7.919 3.263 ( 7.372 -0.406 -10.733) 13.027 3.582 ( -0.072 -6.435 -8.193) 10.418 3.794 ( -0.693 14.150 5.678) 15.262 4.025 ( 1.116 6.476 -9.651) 11.676 4.315 ( 1.753 7.900 -0.074) 8.092 4.501 ( -8.949 10.051 6.781) 15.069 4.935 ( -0.426 -3.376 -3.569) 4.931 5.036 ( 7.195 -4.015 -12.139) 14.671 5.426 ( 2.911 -3.611 2.343) 5.196 5.745 ( 1.515 0.005 -3.798) 4.089 5.795 ( 1.557 -1.892 5.606) 6.118 6.049 ( -7.351 1.481 4.024) 8.510 6.398 ( 5.889 -2.660 6.069) 8.865 6.485 ( -2.526 -0.583 11.426) 11.717 6.901 ( -2.640 -3.154 2.736) 4.940 7.501 ( -6.105 1.161 -0.725) 6.257 7.578 ( 4.058 4.025 -0.714) 5.760 7.979 ( -1.216 -3.758 -2.863) 4.879 8.083 ( 1.029 -1.567 3.639) 4.093 8.203 ( 0.693 -2.429 -4.140) 4.850 8.736 ( 1.069 -0.465 -3.564) 3.750 10.152 ( 0.865 1.182 1.010) 1.779 10.626 ( -1.553 1.089 3.368) 3.865 10.803 ( -5.044 6.738 -2.035) 8.659 11.228 ( 7.639 -0.166 -2.827) 8.147 11.446 ( -0.011 0.942 8.471) 8.523 11.777 ( -0.430 -1.366 -2.364) 2.764 11.870 ( -3.082 3.136 3.246) 5.465 12.200 ( 2.343 -0.249 0.800) 2.489 12.417 ( -2.976 -3.097 3.170) 5.338 12.535 ( -3.445 -8.525 2.501) 9.529 13.723 ( 3.299 2.375 -5.642) 6.954 14.210 ( 5.496 1.952 -8.477) 10.289 15.577 ( -4.678 -6.774 5.553) 9.930 16.198 ( 0.635 -0.576 -0.450) 0.968 26.616 ( -0.213 2.106 0.318) 2.140 26.659 ( 0.014 0.515 -0.292) 0.592 26.707 ( -0.243 -2.330 0.386) 2.375 26.787 ( 0.178 -2.031 -0.290) 2.059 ======================= Grid point 112 (39/251) ======================= q-point: (-0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -5.111 24.567 -7.932) 26.317 1.601 ( -10.864 23.012 2.331) 25.554 2.899 ( 4.220 6.761 -0.486) 7.984 3.100 ( -5.203 24.455 3.232) 25.210 3.461 ( -0.499 5.484 0.578) 5.537 3.709 ( 6.571 -5.550 -7.783) 11.600 3.913 ( -0.357 3.633 -12.919) 13.424 4.212 ( 2.177 11.133 9.627) 14.878 4.335 ( -2.673 2.194 -1.663) 3.837 4.990 ( -0.167 -3.861 -4.424) 5.874 5.103 ( 7.605 -0.228 -8.550) 11.445 5.495 ( 1.379 -0.486 4.072) 4.326 5.676 ( -1.506 3.118 -3.816) 5.153 5.891 ( 3.094 -3.124 1.412) 4.618 6.000 ( -5.338 -0.054 5.367) 7.570 6.483 ( 3.838 -0.084 4.705) 6.072 6.515 ( -3.082 -1.728 9.510) 10.145 6.962 ( -1.228 -3.674 4.652) 6.054 7.398 ( -6.583 3.504 -1.074) 7.535 7.543 ( 0.791 2.341 -0.547) 2.531 8.023 ( -0.589 -3.259 -1.195) 3.521 8.177 ( 1.646 -5.645 1.045) 5.972 8.237 ( 1.140 -2.094 -1.260) 2.697 8.756 ( 2.543 -1.904 -7.709) 8.338 10.133 ( 0.422 2.024 0.531) 2.135 10.537 ( -3.215 8.524 3.689) 9.829 10.689 ( -2.248 0.927 -2.126) 3.230 11.190 ( 4.381 5.701 -6.505) 9.696 11.517 ( 0.715 -1.981 11.409) 11.602 11.789 ( 0.360 0.001 -0.753) 0.835 11.844 ( 0.277 -2.501 -0.715) 2.616 12.248 ( 2.995 -2.210 -0.410) 3.745 12.451 ( -0.273 -0.677 4.301) 4.363 12.690 ( -7.537 -11.686 4.916) 14.749 13.685 ( 5.574 3.726 -4.998) 8.363 14.180 ( 8.361 4.060 -9.724) 13.451 15.699 ( -12.296 -11.562 10.141) 19.690 16.219 ( 1.524 -0.824 -0.491) 1.801 26.580 ( -0.594 1.573 0.410) 1.731 26.646 ( -0.016 0.672 -0.218) 0.706 26.751 ( -0.221 -2.518 0.245) 2.540 26.831 ( 0.279 -2.526 -0.216) 2.551 ======================= Grid point 113 (40/251) ======================= q-point: (-0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -6.176 26.638 -6.807) 28.179 1.119 ( -9.599 23.342 8.328) 26.577 2.246 ( -16.310 44.263 12.840) 48.889 2.963 ( 5.388 5.154 2.941) 8.015 3.482 ( 7.837 -0.753 -3.121) 8.469 3.764 ( -2.320 1.455 -3.655) 4.567 3.827 ( 4.620 0.763 -11.054) 12.005 4.093 ( 3.684 5.623 6.490) 9.344 4.287 ( -1.289 1.838 -4.849) 5.344 5.011 ( 1.150 0.600 -8.344) 8.445 5.099 ( 1.303 2.164 0.434) 2.563 5.490 ( -1.532 1.296 2.249) 3.014 5.616 ( 0.427 2.319 -2.809) 3.668 5.950 ( 1.832 -0.969 0.836) 2.235 6.006 ( -2.746 -2.338 2.382) 4.322 6.479 ( 4.649 4.130 -0.238) 6.223 6.603 ( -9.145 -9.755 11.521) 17.650 7.038 ( -1.199 -3.556 6.464) 7.475 7.291 ( -5.749 2.263 0.713) 6.220 7.496 ( -1.678 2.085 -0.888) 2.820 8.081 ( 0.505 -3.222 -0.313) 3.276 8.255 ( 2.199 -2.641 -4.324) 5.524 8.332 ( 1.280 -5.794 4.267) 7.309 8.772 ( 5.938 0.723 -11.649) 13.095 10.089 ( -1.299 2.393 -0.333) 2.743 10.358 ( -3.509 8.724 3.742) 10.120 10.673 ( -1.016 -0.777 -4.330) 4.515 11.070 ( 2.423 8.314 -9.372) 12.760 11.578 ( -1.099 -1.654 11.137) 11.313 11.815 ( 0.933 -3.101 -0.185) 3.244 11.920 ( 3.337 -3.156 0.533) 4.624 12.311 ( 4.030 -1.602 -0.066) 4.337 12.468 ( 0.666 0.387 3.297) 3.386 12.852 ( -6.071 -9.668 5.654) 12.739 13.649 ( 8.387 4.625 -1.930) 9.770 14.128 ( 12.185 7.021 -10.343) 17.457 15.885 ( -23.759 -20.907 15.967) 35.447 16.246 ( 1.238 -1.087 -0.039) 1.648 26.555 ( -1.136 0.570 0.536) 1.379 26.635 ( -0.113 0.446 -0.495) 0.676 26.792 ( -0.127 -1.983 0.319) 2.012 26.875 ( 0.317 -2.108 -0.072) 2.133 ======================= Grid point 114 (41/251) ======================= q-point: (-0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -5.921 18.701 8.739) 21.475 0.710 ( -4.973 18.902 19.528) 27.629 1.374 ( -13.836 44.273 25.091) 52.736 2.899 ( 0.310 5.657 6.002) 8.254 3.541 ( 6.124 -0.278 -1.373) 6.282 3.714 ( -2.444 -2.298 -3.774) 5.049 3.838 ( 9.328 1.752 -7.909) 12.354 4.049 ( -2.235 4.524 -2.743) 5.743 4.243 ( 3.923 0.544 -0.780) 4.036 4.931 ( 0.259 4.242 -8.143) 9.186 5.076 ( -3.959 -0.164 2.523) 4.697 5.471 ( -0.504 0.257 0.320) 0.651 5.560 ( -0.107 3.492 1.237) 3.706 5.971 ( 0.403 -0.250 0.181) 0.508 6.029 ( -0.921 -0.955 -1.661) 2.126 6.433 ( 3.620 3.509 -2.522) 5.637 6.800 ( -15.932 -17.531 5.117) 24.235 7.121 ( -12.810 -10.825 9.070) 19.067 7.258 ( -1.622 -1.043 5.714) 6.031 7.446 ( -1.766 1.270 -1.434) 2.606 8.122 ( -1.068 -0.821 -2.329) 2.690 8.303 ( 3.241 -1.673 -3.473) 5.036 8.444 ( 0.085 -4.073 3.456) 5.342 8.734 ( 18.588 8.957 -10.407) 23.109 10.029 ( -3.152 1.906 -1.034) 3.826 10.218 ( -4.811 4.405 4.016) 7.660 10.619 ( -0.529 6.826 -12.216) 14.003 10.859 ( 0.780 11.138 -4.802) 12.154 11.659 ( 2.789 -3.806 1.509) 4.954 11.922 ( -1.003 -7.687 7.656) 10.895 11.989 ( 2.317 -1.467 1.711) 3.232 12.360 ( 7.003 1.151 1.502) 7.254 12.476 ( -0.383 -0.369 1.704) 1.785 12.933 ( 0.472 0.469 -2.552) 2.637 13.690 ( 12.101 -1.475 8.685) 14.968 14.053 ( 19.147 11.386 -7.151) 23.396 16.195 ( -33.330 -29.558 9.488) 45.548 16.289 ( -16.308 -12.199 4.754) 20.913 26.546 ( -2.421 -0.850 0.382) 2.594 26.622 ( -0.440 0.645 -1.157) 1.396 26.821 ( 0.121 -1.096 0.558) 1.236 26.908 ( 0.227 -1.214 0.084) 1.238 ======================= Grid point 116 (42/251) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 7.927 0.000 24.568) 25.815 0.877 ( 10.971 0.000 25.749) 27.989 1.625 ( 38.626 0.000 33.381) 51.052 2.763 ( -10.539 -0.000 5.888) 12.073 3.564 ( -4.343 -0.000 -3.370) 5.497 3.667 ( -11.704 -0.000 -7.006) 13.641 3.678 ( -0.659 -0.000 -3.617) 3.677 4.073 ( 13.844 0.000 -4.303) 14.498 4.419 ( 6.997 0.000 1.226) 7.103 4.779 ( -2.657 -0.000 -3.427) 4.337 5.190 ( 6.039 0.000 -11.084) 12.622 5.476 ( 2.218 0.000 -4.595) 5.102 5.498 ( -3.128 -0.000 0.767) 3.220 5.896 ( -7.055 -0.000 -1.249) 7.165 5.967 ( -0.500 -0.000 -2.598) 2.646 6.418 ( 0.342 0.000 -1.443) 1.483 6.565 ( -16.475 -0.000 12.491) 20.674 6.685 ( -7.956 -0.000 -2.673) 8.393 7.436 ( 1.866 0.000 -1.007) 2.120 7.507 ( 7.302 0.000 6.395) 9.706 8.073 ( 0.844 0.000 -2.660) 2.791 8.395 ( 4.440 0.000 0.109) 4.441 8.417 ( -5.454 -0.000 0.789) 5.511 8.968 ( -1.782 -0.000 -4.561) 4.896 10.119 ( -0.249 -0.000 0.822) 0.859 10.370 ( 25.386 0.000 -10.421) 27.442 10.399 ( 1.774 0.000 -3.027) 3.508 10.792 ( 0.605 0.000 0.706) 0.930 11.796 ( 6.813 0.000 -4.028) 7.915 12.000 ( -4.965 -0.000 2.420) 5.523 12.033 ( -3.330 -0.000 6.261) 7.092 12.341 ( -8.535 -0.000 5.387) 10.093 12.447 ( -4.689 -0.000 1.421) 4.899 12.823 ( -1.532 -0.000 -7.334) 7.493 13.938 ( 6.176 0.000 0.784) 6.226 14.324 ( -27.759 -0.000 14.972) 31.539 15.299 ( -0.776 -0.000 4.132) 4.205 16.289 ( -0.943 -0.000 1.179) 1.510 26.520 ( 0.537 0.000 -0.064) 0.541 26.584 ( -0.718 -0.000 -1.029) 1.255 26.850 ( 0.524 0.000 1.074) 1.195 26.917 ( -0.232 -0.000 -0.009) 0.232 ======================= Grid point 117 (43/251) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 15.512 -9.066 13.150) 22.265 1.269 ( 12.673 -16.009 21.454) 29.617 2.236 ( 31.312 -20.719 26.819) 46.141 2.769 ( -10.630 -7.844 3.611) 13.695 3.482 ( -6.369 0.956 -9.604) 11.564 3.538 ( -2.521 -0.547 -2.267) 3.434 3.797 ( -4.323 -9.182 -0.022) 10.149 4.158 ( 9.436 -0.978 -5.457) 10.944 4.422 ( 2.952 4.930 -0.868) 5.811 4.809 ( -1.661 -5.800 -0.579) 6.061 5.106 ( 2.475 5.932 -6.421) 9.085 5.453 ( 3.348 2.809 -8.588) 9.636 5.520 ( -1.622 -4.120 -0.518) 4.458 5.809 ( -8.059 1.109 -2.377) 8.475 6.009 ( -0.811 -3.092 -1.452) 3.511 6.418 ( -0.508 0.226 -1.008) 1.152 6.466 ( -5.320 2.628 5.804) 8.300 6.687 ( -8.426 -5.534 1.372) 10.173 7.459 ( 2.466 -0.912 -0.723) 2.727 7.581 ( 6.493 0.107 4.842) 8.100 8.060 ( -0.438 1.019 -2.654) 2.877 8.331 ( -5.526 4.324 0.308) 7.024 8.421 ( 4.708 1.664 1.189) 5.133 8.914 ( -1.962 1.648 -3.805) 4.588 10.168 ( 1.870 -4.027 -0.055) 4.440 10.254 ( 6.434 6.784 0.176) 9.352 10.628 ( 7.985 -3.734 -7.723) 11.720 10.881 ( 2.793 -8.548 -3.229) 9.555 11.780 ( 0.558 5.006 3.531) 6.151 11.961 ( -3.522 3.271 2.587) 5.459 11.967 ( -3.918 1.494 4.594) 6.220 12.316 ( -4.730 -0.501 3.000) 5.623 12.378 ( -4.029 2.471 0.932) 4.817 12.851 ( -2.687 -4.394 -5.860) 7.802 13.916 ( -1.075 6.006 9.584) 11.361 14.193 ( -18.728 -3.713 7.506) 20.515 15.367 ( 15.420 0.796 -6.695) 16.829 16.276 ( -2.259 0.566 1.423) 2.729 26.529 ( 0.629 -0.478 -0.130) 0.800 26.584 ( -0.667 -0.920 -1.207) 1.657 26.846 ( 0.456 1.301 1.027) 1.719 26.906 ( -0.148 1.046 -0.058) 1.058 ======================= Grid point 118 (44/251) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 16.017 -17.890 3.150) 24.218 1.732 ( 14.746 -15.725 17.084) 27.506 2.793 ( -8.146 -12.067 7.204) 16.244 2.972 ( 13.744 -18.818 6.907) 24.305 3.483 ( 3.211 -5.577 -2.093) 6.768 3.543 ( -0.950 -2.315 -5.359) 5.914 3.900 ( -2.443 -3.981 1.276) 4.842 4.250 ( 2.043 -6.984 -2.295) 7.630 4.308 ( -4.582 3.955 -3.178) 6.836 4.902 ( 0.754 -3.195 -2.967) 4.425 5.056 ( 4.517 0.105 -2.045) 4.960 5.374 ( 5.245 5.440 -11.858) 14.061 5.596 ( -1.087 -4.767 0.181) 4.892 5.731 ( -7.384 -0.606 -1.867) 7.640 6.033 ( -1.032 -0.972 1.526) 2.083 6.385 ( -0.804 2.412 -0.497) 2.590 6.427 ( -5.038 -0.020 5.163) 7.214 6.732 ( -7.752 -5.622 1.472) 9.689 7.499 ( 2.363 -1.448 -0.061) 2.772 7.635 ( 6.006 0.784 2.875) 6.704 8.012 ( -1.895 1.894 -3.451) 4.369 8.194 ( -5.416 5.693 0.458) 7.871 8.412 ( 5.181 4.350 1.234) 6.876 8.867 ( 0.356 1.458 -3.212) 3.545 10.193 ( 4.678 2.829 0.101) 5.468 10.320 ( 0.735 -8.336 1.859) 8.572 10.680 ( 4.078 -0.919 -2.649) 4.948 11.033 ( 1.081 -6.861 -5.085) 8.608 11.682 ( -8.304 4.222 10.460) 14.007 11.867 ( -1.477 4.800 1.705) 5.303 11.957 ( -0.171 0.142 1.249) 1.268 12.270 ( -2.059 2.250 -0.652) 3.119 12.348 ( -1.590 -0.594 1.523) 2.281 12.837 ( -1.584 2.977 -2.205) 4.029 13.820 ( -9.024 2.825 8.902) 12.986 14.187 ( -1.506 -2.511 -3.050) 4.228 15.437 ( 13.445 1.898 -5.809) 14.769 16.245 ( -3.027 0.952 1.068) 3.348 26.546 ( 0.443 -1.032 -0.041) 1.124 26.595 ( -0.470 -1.200 -1.118) 1.706 26.819 ( 0.347 2.311 0.917) 2.510 26.877 ( -0.118 1.946 -0.078) 1.951 ======================= Grid point 119 (45/251) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 13.781 -17.982 -1.308) 22.694 2.164 ( 14.934 -13.183 13.111) 23.848 2.837 ( -9.856 -2.137 0.454) 10.095 3.321 ( -0.160 -11.758 -6.316) 13.348 3.519 ( -2.092 2.609 -6.979) 7.739 3.662 ( 9.869 -2.890 4.572) 11.254 3.927 ( -0.964 -3.334 -4.752) 5.884 4.305 ( -2.102 -9.382 2.508) 9.936 4.443 ( -2.364 -13.490 2.955) 14.011 4.892 ( 1.228 2.919 -3.107) 4.437 5.121 ( 9.168 -0.324 -7.429) 11.805 5.282 ( 3.607 3.783 -7.631) 9.250 5.641 ( -2.422 -1.377 2.328) 3.630 5.723 ( -2.522 -3.009 -1.150) 4.091 6.059 ( -1.768 -2.453 3.341) 4.506 6.315 ( -3.037 2.907 0.176) 4.208 6.422 ( -2.981 -0.489 8.112) 8.656 6.766 ( -7.892 -4.514 0.794) 9.126 7.534 ( 0.153 -0.646 0.768) 1.015 7.676 ( 6.416 0.605 1.295) 6.573 7.949 ( -2.198 1.597 -4.261) 5.054 8.066 ( -4.526 3.704 -0.236) 5.854 8.355 ( 4.191 6.446 0.747) 7.724 8.840 ( 1.771 1.915 -1.616) 3.069 10.188 ( 2.260 1.337 1.331) 2.944 10.486 ( 1.583 -7.332 1.452) 7.640 10.749 ( 3.772 -4.892 -0.672) 6.214 11.090 ( -3.276 -2.012 -3.265) 5.044 11.583 ( -11.635 1.729 9.716) 15.257 11.795 ( 0.372 2.807 0.393) 2.859 11.958 ( 1.248 0.990 2.008) 2.564 12.229 ( -0.353 1.063 0.225) 1.142 12.363 ( 0.156 -1.207 0.475) 1.306 12.707 ( -0.344 9.921 0.572) 9.944 13.746 ( -9.200 -0.665 1.352) 9.322 14.219 ( 5.146 -0.856 -5.222) 7.381 15.473 ( 8.743 2.080 -2.793) 9.411 16.208 ( -2.684 0.732 0.357) 2.805 26.572 ( 0.256 -1.572 -0.042) 1.593 26.613 ( -0.216 -1.482 -0.820) 1.708 26.778 ( 0.250 2.825 0.816) 2.951 26.836 ( -0.158 2.459 -0.124) 2.468 ======================= Grid point 120 (46/251) ======================= q-point: ( 0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 8.406 -10.911 -3.158) 14.131 2.490 ( 11.749 -3.835 7.974) 14.708 2.744 ( -5.380 3.454 2.253) 6.778 3.352 ( 4.475 5.936 -18.285) 19.739 3.402 ( -12.661 -2.665 -2.642) 13.206 3.797 ( 10.391 -4.398 1.412) 11.371 4.009 ( 0.377 -7.289 -6.495) 9.771 4.498 ( -4.257 -9.640 -1.854) 10.700 4.644 ( -4.253 -6.228 7.236) 10.452 4.830 ( 0.364 2.791 1.982) 3.443 5.088 ( 10.710 6.976 -17.864) 21.965 5.298 ( 3.404 -2.930 0.789) 4.560 5.647 ( 1.788 0.096 1.080) 2.091 5.768 ( -1.141 -3.211 2.840) 4.436 6.078 ( -6.926 -0.628 3.988) 8.017 6.295 ( 2.441 -1.884 2.982) 4.290 6.447 ( -2.762 -0.992 10.563) 10.963 6.781 ( -6.867 -3.813 0.236) 7.858 7.523 ( -2.669 0.704 0.913) 2.907 7.717 ( 6.136 1.698 0.740) 6.409 7.895 ( -2.139 0.831 -3.436) 4.132 8.015 ( -2.068 -2.005 -2.700) 3.948 8.264 ( 2.419 6.448 0.667) 6.919 8.806 ( 1.393 2.948 -0.699) 3.334 10.186 ( 1.208 1.008 1.679) 2.301 10.594 ( 1.654 -2.848 2.049) 3.879 10.901 ( 3.168 -6.339 -2.415) 7.487 11.056 ( -4.626 -1.093 0.661) 4.799 11.511 ( -9.874 -0.039 6.805) 11.992 11.770 ( 1.625 1.217 -0.719) 2.154 11.953 ( -0.339 1.191 3.676) 3.879 12.227 ( -0.247 -0.588 2.207) 2.297 12.398 ( 1.047 -1.819 0.773) 2.237 12.504 ( -0.009 11.678 0.115) 11.678 13.707 ( -6.787 -2.297 -3.431) 7.944 14.256 ( 8.263 0.491 -6.536) 10.547 15.485 ( 2.987 1.108 0.469) 3.220 16.185 ( -1.195 -0.033 -0.369) 1.251 26.605 ( 0.064 -1.963 -0.123) 1.968 26.639 ( 0.075 -1.587 -0.458) 1.654 26.729 ( -0.005 2.887 0.662) 2.962 26.792 ( -0.103 2.087 -0.128) 2.093 ======================= Grid point 121 (47/251) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 0.291 7.427 -5.642) 9.332 2.361 ( -2.746 17.782 3.354) 18.303 2.822 ( 7.235 -4.656 3.551) 9.308 3.272 ( 5.045 0.083 -8.548) 9.926 3.393 ( -4.585 -7.714 -10.995) 14.192 3.951 ( 10.491 -1.544 -3.920) 11.305 4.079 ( -1.360 0.237 -3.429) 3.697 4.465 ( -2.421 8.223 -0.723) 8.603 4.610 ( -9.481 4.814 7.645) 13.096 4.851 ( -3.651 -4.826 2.185) 6.434 4.995 ( 9.323 3.100 -19.005) 21.394 5.404 ( 6.588 -3.894 0.060) 7.653 5.709 ( 4.487 -3.528 -2.022) 6.055 5.815 ( -0.316 -0.269 5.527) 5.542 6.019 ( -9.068 0.814 5.911) 10.855 6.404 ( 3.960 -3.577 5.910) 7.963 6.481 ( -3.324 -1.674 10.322) 10.973 6.811 ( -3.814 -4.460 0.404) 5.882 7.484 ( -3.913 1.207 0.901) 4.193 7.690 ( 3.145 5.014 0.138) 5.921 7.887 ( -1.825 -3.043 -3.378) 4.899 8.066 ( 1.632 -3.444 -2.188) 4.394 8.188 ( 0.785 2.687 0.155) 2.803 8.756 ( 0.481 2.663 -1.364) 3.031 10.183 ( 0.972 0.829 1.552) 2.011 10.640 ( 1.409 -0.230 2.552) 2.924 10.859 ( -5.433 4.754 -2.242) 7.560 11.193 ( 5.073 -8.617 0.412) 10.008 11.471 ( -5.664 0.094 5.354) 7.794 11.759 ( 1.137 0.635 -1.238) 1.797 11.927 ( -2.447 2.777 5.360) 6.514 12.247 ( 0.226 1.078 4.648) 4.777 12.343 ( -1.235 2.237 -1.782) 3.115 12.449 ( 0.019 -2.484 1.188) 2.753 13.694 ( -3.567 -2.413 -5.014) 6.610 14.285 ( 10.470 1.737 -8.655) 13.694 15.489 ( -3.424 -1.052 3.745) 5.182 16.189 ( 0.580 -0.780 -0.879) 1.310 26.638 ( -0.043 -1.107 -0.149) 1.118 26.657 ( 0.276 -0.021 -0.326) 0.427 26.688 ( -0.431 0.938 0.629) 1.209 26.768 ( 0.087 0.137 -0.125) 0.205 ======================= Grid point 122 (48/251) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -1.108 21.012 -8.110) 22.550 1.973 ( -4.472 22.896 5.137) 23.888 2.947 ( 5.967 -2.592 0.308) 6.513 3.326 ( 5.192 -1.536 -2.341) 5.898 3.511 ( 0.257 -7.046 -11.852) 13.791 3.793 ( -3.622 22.261 8.834) 24.223 3.969 ( 2.218 5.099 -14.943) 15.944 4.346 ( 1.487 2.843 -0.612) 3.267 4.469 ( -2.587 9.020 11.849) 15.114 4.907 ( 0.038 -3.663 -3.832) 5.301 5.024 ( 3.507 -6.077 -16.285) 17.732 5.527 ( 7.831 -2.762 0.794) 8.342 5.719 ( -1.914 4.474 -3.073) 5.755 5.852 ( 1.769 -3.182 2.251) 4.281 5.971 ( -7.910 -0.191 8.450) 11.576 6.465 ( -3.926 -0.788 9.997) 10.769 6.543 ( 1.508 -2.051 4.397) 5.080 6.884 ( -0.767 -5.008 2.006) 5.449 7.415 ( -4.362 3.208 0.843) 5.480 7.618 ( 1.362 4.624 -0.597) 4.857 7.936 ( -1.015 -4.539 -2.555) 5.307 8.122 ( 2.310 -2.151 0.469) 3.191 8.197 ( 0.418 -2.492 -1.138) 2.771 8.727 ( 1.102 -0.093 -4.056) 4.204 10.177 ( 0.888 1.409 1.153) 2.026 10.638 ( 0.247 2.915 2.898) 4.117 10.716 ( -4.096 5.172 -1.580) 6.784 11.292 ( 3.396 2.561 -4.243) 6.007 11.493 ( -1.122 -3.925 7.519) 8.556 11.781 ( 1.869 -2.264 0.248) 2.946 11.849 ( -2.496 4.236 3.775) 6.199 12.238 ( 1.915 -0.320 0.127) 1.946 12.401 ( -2.351 -6.952 4.331) 8.522 12.494 ( -3.556 -3.683 2.234) 5.586 13.699 ( -0.419 -1.527 -4.627) 4.891 14.301 ( 12.942 2.860 -11.605) 17.617 15.497 ( -10.491 -3.916 7.208) 13.318 16.212 ( 1.678 -1.093 -1.090) 2.280 26.613 ( -0.325 2.307 0.163) 2.336 26.656 ( 0.011 0.457 -0.569) 0.729 26.707 ( -0.200 -2.266 0.574) 2.346 26.789 ( 0.241 -2.083 -0.100) 2.099 ======================= Grid point 123 (49/251) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.148 26.377 -6.799) 27.240 1.545 ( -1.542 24.311 8.103) 25.672 2.935 ( 1.527 25.299 4.058) 25.668 3.093 ( -1.671 13.578 7.284) 15.499 3.486 ( 0.836 -4.259 -1.332) 4.540 3.718 ( 2.805 1.069 -7.667) 8.233 3.839 ( 3.344 0.240 -12.404) 12.849 4.307 ( -0.957 8.065 7.578) 11.107 4.322 ( 3.510 5.990 1.986) 7.221 4.965 ( 1.536 -3.340 -6.638) 7.588 5.095 ( 1.255 -3.767 -12.211) 12.840 5.557 ( -2.467 6.979 2.098) 7.694 5.630 ( 3.141 -1.048 -2.818) 4.348 5.922 ( -0.153 -2.886 -0.451) 2.925 5.957 ( -4.343 -1.182 6.511) 7.915 6.475 ( -7.556 -2.192 9.256) 12.148 6.566 ( 1.041 1.811 1.373) 2.500 6.970 ( -1.674 -3.739 3.637) 5.478 7.326 ( -1.319 3.559 1.580) 4.111 7.543 ( -0.132 3.898 -0.963) 4.017 8.010 ( 0.070 -4.520 -1.030) 4.636 8.198 ( 1.962 -4.139 -1.621) 4.859 8.255 ( -0.014 -3.936 1.747) 4.306 8.750 ( 3.614 -2.415 -7.602) 8.757 10.147 ( 0.436 3.025 0.766) 3.151 10.513 ( -2.827 9.230 2.864) 10.069 10.653 ( -0.141 0.696 -2.418) 2.520 11.200 ( 2.381 6.800 -6.171) 9.486 11.572 ( -2.229 -2.241 9.889) 10.382 11.784 ( 0.029 0.363 -0.123) 0.385 11.882 ( 2.653 -4.256 1.645) 5.278 12.287 ( 2.048 -3.015 -0.851) 3.743 12.476 ( -0.535 -0.276 1.810) 1.908 12.613 ( -6.434 -12.632 8.650) 16.607 13.709 ( 2.101 -0.292 -2.803) 3.515 14.311 ( 16.403 3.714 -14.921) 22.483 15.511 ( -19.356 -7.000 11.210) 23.438 16.242 ( 1.827 -1.004 -0.929) 2.283 26.573 ( -0.521 1.814 0.188) 1.897 26.642 ( -0.140 0.705 -0.657) 0.973 26.752 ( -0.020 -2.496 0.540) 2.554 26.835 ( 0.240 -2.554 0.001) 2.565 ======================= Grid point 124 (50/251) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 3.934 26.700 -1.926) 27.057 1.160 ( 3.759 22.820 15.102) 27.622 2.235 ( 1.196 45.475 19.826) 49.624 3.027 ( -0.566 5.691 3.488) 6.699 3.552 ( -2.064 -2.782 -2.459) 4.248 3.629 ( 1.920 1.515 -8.436) 8.784 3.906 ( 6.346 -1.862 -7.533) 10.024 4.156 ( 0.312 9.648 5.484) 11.102 4.290 ( 3.731 1.313 -1.213) 4.137 4.985 ( 3.658 1.451 -9.534) 10.314 5.060 ( -4.469 1.839 -2.756) 5.564 5.458 ( -1.823 0.320 -3.925) 4.339 5.627 ( -0.170 3.187 2.775) 4.230 5.945 ( -2.844 -1.623 -2.250) 3.973 5.994 ( 0.941 -2.260 1.421) 2.831 6.498 ( -10.155 -4.601 6.433) 12.872 6.520 ( -0.817 2.580 1.756) 3.226 6.977 ( -9.420 -0.018 2.925) 9.864 7.319 ( 6.507 0.260 4.346) 7.829 7.477 ( 0.066 2.832 -0.904) 2.974 8.077 ( -0.373 -2.885 -1.093) 3.108 8.275 ( 3.170 -3.179 -3.074) 5.441 8.347 ( -2.461 -5.767 2.924) 6.918 8.813 ( 7.652 -2.960 -8.834) 12.056 10.088 ( 0.902 3.768 0.838) 3.964 10.331 ( -2.772 8.996 2.992) 9.878 10.637 ( 1.066 0.523 -5.388) 5.517 11.048 ( 2.300 9.754 -7.470) 12.499 11.628 ( -0.644 -2.645 8.643) 9.062 11.828 ( 0.570 -4.375 1.501) 4.660 11.970 ( 1.029 -2.831 2.285) 3.781 12.359 ( 1.234 -3.478 -0.606) 3.740 12.457 ( -4.128 0.334 0.784) 4.215 12.828 ( -2.124 -10.133 7.097) 12.553 13.733 ( 3.523 -0.819 1.571) 3.944 14.332 ( 20.220 3.623 -17.149) 26.759 15.506 ( -32.473 -9.502 15.942) 37.402 16.268 ( 1.265 -0.732 -0.366) 1.506 26.542 ( -0.620 1.130 0.230) 1.309 26.626 ( -0.354 0.633 -1.032) 1.262 26.796 ( 0.219 -2.049 0.719) 2.183 26.879 ( 0.089 -2.099 0.062) 2.102 ======================= Grid point 127 (51/251) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 13.765 0.000 18.932) 23.408 1.234 ( 12.633 0.000 21.735) 25.139 2.452 ( 39.977 0.000 23.045) 46.144 2.608 ( -13.164 -0.000 4.805) 14.014 3.348 ( -10.715 -0.000 -13.120) 16.940 3.538 ( -6.816 -0.000 3.774) 7.791 3.671 ( 2.478 0.000 -2.552) 3.557 4.203 ( 7.227 0.000 -8.786) 11.376 4.523 ( 5.011 0.000 0.178) 5.015 4.721 ( -5.489 -0.000 4.415) 7.044 5.144 ( -1.061 -0.000 -10.616) 10.669 5.455 ( -0.574 -0.000 -0.368) 0.682 5.499 ( 6.913 0.000 -10.763) 12.792 5.743 ( -10.613 -0.000 -1.956) 10.791 5.956 ( 0.135 0.000 -0.464) 0.484 6.415 ( -0.406 -0.000 -1.162) 1.231 6.497 ( -2.060 -0.000 4.555) 4.999 6.564 ( -6.718 -0.000 1.012) 6.793 7.469 ( 2.770 0.000 -0.158) 2.774 7.640 ( 4.596 0.000 4.674) 6.555 8.063 ( -0.854 -0.000 -0.825) 1.187 8.334 ( -4.233 -0.000 -1.050) 4.362 8.476 ( 4.703 0.000 2.165) 5.178 8.881 ( -5.098 -0.000 -2.503) 5.680 10.139 ( 2.235 0.000 0.848) 2.391 10.414 ( 2.588 0.000 -2.951) 3.925 10.620 ( 15.887 0.000 -11.179) 19.426 10.805 ( 0.454 0.000 0.394) 0.602 11.854 ( -16.065 -0.000 5.303) 16.918 11.877 ( 5.897 0.000 -2.382) 6.360 12.031 ( -1.619 -0.000 4.862) 5.125 12.303 ( -1.081 -0.000 5.783) 5.883 12.370 ( -5.927 -0.000 1.406) 6.091 12.733 ( -3.851 -0.000 -5.796) 6.959 13.988 ( -25.416 -0.000 21.436) 33.249 14.065 ( 8.850 0.000 0.200) 8.852 15.489 ( 19.105 0.000 -11.641) 22.372 16.265 ( -3.483 -0.000 1.958) 3.996 26.530 ( 0.762 0.000 -0.266) 0.807 26.566 ( -0.625 -0.000 -0.924) 1.116 26.865 ( 0.421 0.000 1.004) 1.089 26.914 ( -0.131 -0.000 -0.137) 0.189 ======================= Grid point 128 (52/251) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 15.363 -6.594 10.743) 19.873 1.608 ( 11.675 -16.757 19.706) 28.380 2.573 ( -11.673 -6.197 5.031) 14.141 2.896 ( 25.514 -8.434 5.951) 27.523 3.319 ( -2.090 -8.372 -3.062) 9.156 3.506 ( -2.586 -1.323 2.099) 3.584 3.768 ( 0.786 -7.360 1.609) 7.574 4.196 ( 1.866 0.912 -11.716) 11.899 4.415 ( -3.318 9.760 2.336) 10.570 4.806 ( -0.475 -7.555 1.727) 7.765 5.080 ( -0.328 1.088 -6.082) 6.188 5.457 ( 5.517 2.050 -9.855) 11.479 5.529 ( 4.606 -2.103 -3.301) 6.044 5.649 ( -9.734 -0.437 -1.449) 9.851 5.988 ( -1.448 -2.709 0.500) 3.112 6.384 ( -3.866 1.494 0.614) 4.190 6.463 ( 0.955 2.380 2.041) 3.278 6.587 ( -5.549 -4.708 1.572) 7.445 7.500 ( 2.687 -0.803 0.643) 2.877 7.686 ( 3.374 -0.104 2.977) 4.501 8.027 ( -2.645 2.254 -0.524) 3.514 8.256 ( -3.019 4.688 -0.919) 5.651 8.515 ( 5.321 1.342 1.988) 5.836 8.843 ( -3.791 -0.981 -2.646) 4.726 10.210 ( 3.729 -4.775 0.861) 6.119 10.338 ( 4.675 6.827 -1.110) 8.349 10.698 ( 5.784 -0.166 -4.858) 7.555 10.894 ( 1.639 -7.520 -3.841) 8.601 11.698 ( -15.294 3.708 6.695) 17.102 11.916 ( 0.733 0.614 -0.198) 0.977 11.995 ( 1.442 3.230 2.830) 4.530 12.289 ( -2.825 2.063 0.965) 3.629 12.342 ( -0.294 -0.378 2.926) 2.965 12.755 ( -4.421 -5.911 -4.840) 8.827 13.832 ( -16.411 4.504 15.690) 23.147 14.160 ( 6.946 -2.139 -0.901) 7.323 15.572 ( 16.124 2.324 -9.561) 18.889 16.235 ( -4.176 0.548 1.783) 4.574 26.538 ( 0.579 -0.370 -0.080) 0.692 26.568 ( -0.483 -0.910 -0.894) 1.364 26.858 ( 0.308 1.354 0.875) 1.642 26.903 ( -0.107 1.026 -0.165) 1.045 ======================= Grid point 129 (53/251) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 14.124 -14.764 2.498) 20.584 2.073 ( 12.865 -16.534 16.506) 26.671 2.641 ( -11.076 -9.141 1.639) 14.454 3.123 ( 4.827 -8.255 -12.808) 15.984 3.496 ( 1.009 -1.479 5.323) 5.616 3.625 ( 4.639 -11.689 1.586) 12.675 3.895 ( 1.943 -1.218 5.613) 6.064 4.113 ( -8.418 -1.292 -13.125) 15.646 4.325 ( 3.205 -2.987 6.450) 7.797 4.901 ( 1.489 -2.171 -4.865) 5.532 5.102 ( 1.626 -4.171 -0.104) 4.478 5.389 ( 6.293 5.681 -13.321) 15.790 5.584 ( -3.188 -2.964 1.806) 4.712 5.654 ( 2.275 -3.787 -0.487) 4.444 6.014 ( -2.928 -1.832 1.868) 3.927 6.315 ( -5.792 1.926 0.838) 6.162 6.450 ( 1.004 1.299 5.151) 5.406 6.627 ( -5.856 -4.317 0.301) 7.281 7.533 ( 0.954 -0.411 1.477) 1.806 7.720 ( 3.240 -0.329 1.323) 3.515 7.950 ( -3.477 2.626 -1.571) 4.631 8.131 ( -2.302 6.190 -0.566) 6.628 8.506 ( 5.229 5.117 0.813) 7.361 8.840 ( -1.204 -1.534 -2.244) 2.973 10.267 ( 4.203 4.267 0.223) 5.994 10.368 ( 3.876 -7.824 1.962) 8.949 10.725 ( 3.223 -0.973 -1.457) 3.669 10.995 ( -2.549 -4.739 -3.579) 6.462 11.544 ( -14.478 2.449 6.157) 15.922 11.864 ( -0.428 3.996 2.309) 4.635 11.991 ( 2.657 0.851 0.137) 2.794 12.243 ( -1.566 1.012 0.185) 1.874 12.362 ( 2.031 -0.094 0.986) 2.259 12.781 ( -2.912 -0.674 -2.643) 3.990 13.687 ( -12.705 3.100 8.555) 15.628 14.241 ( 7.751 -1.232 -2.870) 8.356 15.597 ( 11.247 4.014 -5.345) 13.083 16.197 ( -3.608 0.563 0.925) 3.767 26.553 ( 0.407 -0.891 0.068) 0.982 26.582 ( -0.298 -1.346 -0.730) 1.560 26.830 ( 0.234 2.340 0.738) 2.465 26.874 ( -0.165 1.967 -0.210) 1.985 ======================= Grid point 130 (54/251) ======================= q-point: ( 0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 10.130 -14.656 -1.655) 17.893 2.493 ( 14.334 -12.279 12.927) 22.877 2.700 ( -7.255 -4.341 -0.532) 8.471 3.222 ( -3.003 -4.526 -12.440) 13.574 3.428 ( -3.289 5.119 -5.898) 8.474 3.847 ( 1.916 -9.696 -1.117) 9.947 3.859 ( 4.493 3.875 1.058) 6.027 4.164 ( -10.422 -14.580 -5.326) 18.696 4.544 ( 4.925 -9.132 6.824) 12.418 4.894 ( 1.270 2.174 -0.630) 2.596 5.195 ( 7.150 -1.093 -9.941) 12.294 5.301 ( 4.166 2.564 -5.535) 7.387 5.643 ( -0.407 -3.935 4.444) 5.950 5.730 ( 3.759 -1.219 0.108) 3.953 6.022 ( -5.931 -1.423 3.399) 6.982 6.260 ( -3.982 -1.226 1.506) 4.430 6.464 ( -0.571 0.312 9.040) 9.064 6.655 ( -5.126 -4.004 -0.257) 6.509 7.525 ( -2.492 1.182 1.546) 3.162 7.768 ( 4.575 -0.795 1.036) 4.758 7.890 ( -2.065 0.573 -2.366) 3.192 8.006 ( -2.009 4.801 -1.908) 5.543 8.424 ( 3.586 7.724 0.497) 8.531 8.843 ( 0.189 0.464 -1.765) 1.835 10.234 ( 1.824 2.601 1.712) 3.609 10.546 ( 4.875 -6.355 1.600) 8.167 10.799 ( 2.733 -5.534 -0.329) 6.180 10.997 ( -6.805 -0.984 -0.983) 6.945 11.437 ( -11.308 -0.136 4.180) 12.057 11.814 ( 0.718 2.280 1.664) 2.913 11.987 ( 0.780 1.430 1.104) 1.968 12.227 ( -0.397 0.142 0.234) 0.482 12.387 ( 2.649 -0.666 -0.147) 2.735 12.699 ( -0.896 7.816 0.675) 7.897 13.595 ( -9.486 -1.047 1.165) 9.614 14.306 ( 8.311 -0.417 -4.614) 9.515 15.571 ( 5.299 4.705 -1.244) 7.194 16.172 ( -1.654 -0.085 -0.128) 1.661 26.576 ( 0.205 -1.376 0.051) 1.392 26.607 ( -0.003 -1.712 -0.388) 1.756 26.785 ( 0.064 2.940 0.531) 2.989 26.832 ( -0.159 2.416 -0.206) 2.430 ======================= Grid point 131 (55/251) ======================= q-point: ( 0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 4.172 -5.764 -3.309) 7.847 2.628 ( -0.835 9.627 1.578) 9.791 2.814 ( 11.978 -6.474 7.521) 15.555 3.140 ( -16.584 -3.804 -4.663) 17.642 3.341 ( 9.014 2.710 -16.223) 18.756 3.881 ( 1.247 -6.978 -10.291) 12.496 4.052 ( 8.447 -4.761 4.222) 10.576 4.342 ( -10.604 -14.570 -1.943) 18.125 4.629 ( -2.681 1.918 0.174) 3.301 4.854 ( -0.847 4.116 5.267) 6.738 5.126 ( 8.909 7.418 -15.418) 19.290 5.382 ( 6.842 -4.468 -0.825) 8.213 5.712 ( 4.899 -0.443 0.324) 4.929 5.790 ( -0.532 -3.688 5.776) 6.873 5.978 ( -9.519 0.616 4.840) 10.697 6.334 ( -0.293 -7.029 2.656) 7.520 6.478 ( -3.723 0.343 10.564) 11.206 6.703 ( -1.754 -4.548 0.908) 4.958 7.481 ( -3.427 1.208 1.670) 3.999 7.793 ( 3.174 2.652 -0.280) 4.145 7.844 ( -2.156 1.835 -1.696) 3.300 7.986 ( 1.750 -4.431 -3.705) 6.036 8.304 ( 1.356 7.757 1.276) 7.977 8.807 ( -0.086 2.801 -1.753) 3.305 10.212 ( 0.180 1.406 1.735) 2.241 10.658 ( 4.817 -1.447 1.946) 5.393 10.870 ( -4.474 1.487 -1.931) 5.094 11.034 ( -0.121 -10.704 2.065) 10.902 11.400 ( -7.594 -2.453 3.100) 8.562 11.796 ( 1.338 1.565 0.733) 2.186 11.962 ( -1.386 1.737 3.072) 3.792 12.231 ( -0.804 -1.036 0.400) 1.371 12.425 ( 1.955 -1.295 0.323) 2.367 12.511 ( 0.103 12.180 1.950) 12.335 13.581 ( -5.011 -3.987 -3.251) 7.182 14.355 ( 8.641 0.332 -6.912) 11.071 15.511 ( -0.567 3.996 2.037) 4.521 16.175 ( 0.377 -0.851 -0.793) 1.223 26.606 ( 0.091 -1.813 -0.003) 1.815 26.639 ( 0.215 -1.747 -0.093) 1.762 26.731 ( -0.242 3.108 0.269) 3.129 26.790 ( -0.031 1.960 -0.119) 1.964 ======================= Grid point 132 (56/251) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 1.550 11.017 -5.692) 12.497 2.352 ( -1.922 19.451 4.104) 19.972 2.951 ( 4.284 -1.521 1.482) 4.782 3.180 ( -5.904 -10.823 -3.271) 12.755 3.400 ( 11.093 -5.045 -11.098) 16.482 3.959 ( 0.306 -2.416 -14.062) 14.272 4.110 ( 4.351 7.086 0.567) 8.335 4.427 ( -3.862 2.672 4.394) 6.432 4.554 ( -2.340 0.133 5.337) 5.829 4.797 ( -3.390 -1.843 0.153) 3.862 5.016 ( 8.341 6.104 -15.591) 18.706 5.511 ( 6.135 -4.312 -2.415) 7.878 5.756 ( 3.756 0.195 -2.504) 4.518 5.847 ( -0.341 -0.135 4.469) 4.484 5.914 ( -10.750 -1.334 9.135) 14.170 6.464 ( -6.361 0.283 9.311) 11.280 6.473 ( -0.380 -6.437 2.958) 7.095 6.798 ( 1.102 -5.232 3.168) 6.215 7.440 ( -2.338 1.765 1.624) 3.349 7.712 ( 0.014 5.424 -1.014) 5.518 7.851 ( 0.243 -3.094 -2.710) 4.120 8.092 ( 3.906 -4.935 -3.458) 7.181 8.199 ( -0.849 4.210 2.476) 4.957 8.745 ( -0.073 2.602 -2.337) 3.498 10.199 ( -0.503 0.541 1.232) 1.436 10.699 ( 3.851 1.477 2.078) 4.619 10.764 ( -4.993 4.245 -0.450) 6.569 11.246 ( 1.194 -8.706 -1.440) 8.905 11.422 ( -3.454 -4.044 4.078) 6.702 11.783 ( 1.630 0.899 0.989) 2.108 11.921 ( -2.916 3.062 5.333) 6.806 12.261 ( -1.970 -2.721 2.693) 4.306 12.330 ( 0.727 6.464 -0.212) 6.508 12.459 ( 0.135 -1.002 1.295) 1.643 13.623 ( -0.492 -4.224 -4.412) 6.128 14.384 ( 8.863 0.820 -9.946) 13.347 15.442 ( -5.413 2.235 4.586) 7.438 16.199 ( 1.309 -1.282 -1.006) 2.090 26.637 ( 0.062 -0.950 -0.115) 0.959 26.660 ( 0.223 0.394 -0.251) 0.518 26.685 ( -0.419 0.641 0.486) 0.907 26.769 ( 0.088 -0.013 -0.057) 0.106 ======================= Grid point 133 (57/251) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 3.490 22.061 -7.056) 23.423 1.984 ( 0.262 21.738 7.270) 22.923 3.019 ( 1.098 -3.336 1.780) 3.937 3.332 ( -0.907 -9.047 -2.988) 9.571 3.502 ( 6.070 6.530 -5.137) 10.290 3.808 ( -2.025 9.948 1.954) 10.338 3.915 ( 6.190 11.847 -13.371) 18.907 4.360 ( -0.793 2.729 3.119) 4.219 4.551 ( 1.518 6.504 12.595) 14.256 4.866 ( -2.669 -6.474 -2.528) 7.445 4.970 ( 7.259 -2.463 -21.120) 22.468 5.575 ( -3.499 -0.508 -7.084) 7.917 5.707 ( 2.745 4.605 4.240) 6.835 5.872 ( -1.164 -1.662 0.931) 2.232 5.922 ( -3.982 -2.221 7.678) 8.930 6.435 ( -7.120 0.188 8.082) 10.773 6.553 ( -3.073 -2.814 1.700) 4.500 6.908 ( 0.258 -4.164 4.410) 6.071 7.393 ( 1.072 2.951 1.347) 3.416 7.614 ( -0.625 4.635 -1.522) 4.918 7.922 ( 1.198 -4.758 -1.965) 5.285 8.158 ( 0.585 -0.666 1.129) 1.435 8.194 ( 0.707 -3.717 -1.113) 3.943 8.720 ( 1.779 -0.657 -3.925) 4.359 10.185 ( -0.753 1.018 0.737) 1.465 10.637 ( -3.587 5.900 1.869) 7.153 10.692 ( 2.960 3.218 -0.399) 4.390 11.281 ( -0.604 2.223 -4.565) 5.113 11.521 ( -0.631 -4.884 6.014) 7.773 11.826 ( 1.991 -2.937 2.781) 4.508 11.840 ( -2.377 3.968 4.185) 6.237 12.255 ( 0.184 -0.255 -0.498) 0.589 12.394 ( -3.287 -9.587 5.799) 11.677 12.470 ( -0.437 -0.368 1.095) 1.235 13.684 ( 2.725 -2.920 -3.590) 5.370 14.399 ( 8.408 0.764 -13.144) 15.622 15.380 ( -8.824 0.563 6.599) 11.033 16.229 ( 1.119 -1.336 -0.875) 1.950 26.609 ( -0.220 2.429 -0.016) 2.439 26.652 ( 0.021 0.629 -0.728) 0.962 26.709 ( -0.029 -2.338 0.741) 2.453 26.792 ( 0.150 -2.152 0.033) 2.157 ======================= Grid point 134 (58/251) ======================= q-point: (-0.10 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 6.987 25.310 -4.239) 26.596 1.646 ( 5.780 21.611 10.967) 24.914 3.052 ( 6.905 18.398 6.063) 20.565 3.099 ( -4.330 17.649 9.905) 20.696 3.441 ( -1.659 -4.783 -2.999) 5.884 3.723 ( 3.875 7.354 -13.787) 16.099 3.848 ( 5.787 -4.764 -4.224) 8.604 4.315 ( -1.575 2.495 2.975) 4.190 4.419 ( 2.715 12.159 7.633) 14.611 4.940 ( -0.589 -4.482 -3.783) 5.895 5.028 ( 4.878 -2.716 -17.351) 18.227 5.445 ( -6.646 3.628 -5.396) 9.297 5.691 ( 0.025 2.618 4.023) 4.800 5.877 ( -3.581 -1.500 -1.347) 4.109 5.974 ( 1.372 -1.955 3.750) 4.446 6.406 ( -7.205 -0.791 6.228) 9.557 6.544 ( -4.431 0.469 0.958) 4.558 6.944 ( -4.863 0.443 3.893) 6.245 7.392 ( 7.093 0.809 2.193) 7.468 7.532 ( -0.157 3.429 -1.009) 3.578 8.009 ( 0.547 -4.156 -1.305) 4.391 8.202 ( -2.012 -4.385 0.622) 4.865 8.264 ( 1.396 -3.446 -0.689) 3.781 8.770 ( 4.505 -3.585 -5.421) 7.908 10.151 ( -0.362 2.375 0.676) 2.496 10.488 ( -2.408 8.867 2.135) 9.433 10.656 ( 2.345 2.191 -2.027) 3.795 11.184 ( 0.941 6.181 -5.924) 8.613 11.602 ( -2.277 -2.782 10.115) 10.735 11.795 ( 0.897 -0.094 0.664) 1.120 11.921 ( 0.067 -4.038 3.097) 5.089 12.285 ( -1.298 -3.366 -1.474) 3.897 12.434 ( -5.034 0.314 1.943) 5.405 12.636 ( 0.961 -12.487 6.946) 14.321 13.742 ( 4.024 -1.516 -1.053) 4.427 14.397 ( 4.567 0.173 -14.463) 15.168 15.327 ( -8.769 0.072 7.307) 11.415 16.256 ( 0.237 -1.175 -0.362) 1.252 26.568 ( -0.097 1.907 0.008) 1.910 26.634 ( -0.206 0.903 -0.932) 1.315 26.758 ( 0.197 -2.591 0.778) 2.712 26.837 ( 0.062 -2.530 0.079) 2.532 ======================= Grid point 138 (59/251) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 11.846 0.000 15.244) 19.306 1.545 ( 8.979 0.000 17.492) 19.662 2.430 ( -12.829 -0.000 4.273) 13.522 2.969 ( 5.508 0.000 -15.733) 16.669 3.280 ( 12.788 0.000 7.436) 14.793 3.506 ( 3.587 0.000 15.078) 15.499 3.724 ( 6.392 0.000 -2.595) 6.899 4.177 ( -1.110 -0.000 -10.580) 10.638 4.556 ( -1.304 -0.000 -1.363) 1.887 4.652 ( -8.187 -0.000 6.341) 10.356 5.043 ( -2.478 -0.000 -8.904) 9.242 5.483 ( 6.447 0.000 -5.901) 8.740 5.549 ( -11.625 -0.000 -1.774) 11.760 5.565 ( 8.879 0.000 -6.275) 10.873 5.954 ( -0.794 -0.000 0.743) 1.087 6.381 ( -3.165 -0.000 0.532) 3.209 6.486 ( -5.505 -0.000 4.323) 7.000 6.527 ( 3.539 0.000 -1.067) 3.696 7.518 ( 2.724 0.000 1.454) 3.088 7.714 ( 1.716 0.000 2.475) 3.012 8.027 ( -4.006 -0.000 1.775) 4.381 8.288 ( -0.028 -0.000 -2.275) 2.276 8.564 ( 4.143 0.000 2.528) 4.853 8.785 ( -4.822 -0.000 -2.489) 5.427 10.208 ( 5.572 0.000 1.576) 5.791 10.439 ( 2.840 0.000 -2.330) 3.673 10.728 ( 6.287 0.000 -8.135) 10.281 10.810 ( 0.087 0.000 -0.089) 0.124 11.618 ( -16.497 -0.000 4.108) 17.001 11.936 ( 2.910 0.000 -1.609) 3.325 12.051 ( 0.683 0.000 3.363) 3.432 12.289 ( -5.163 -0.000 1.232) 5.308 12.356 ( 2.516 0.000 4.644) 5.281 12.630 ( -4.824 -0.000 -4.020) 6.280 13.804 ( -14.404 -0.000 14.260) 20.268 14.203 ( 8.363 0.000 -0.571) 8.383 15.687 ( 15.120 0.000 -9.346) 17.775 16.210 ( -4.901 -0.000 1.963) 5.280 26.539 ( 0.542 0.000 -0.073) 0.547 26.553 ( -0.325 -0.000 -0.550) 0.639 26.875 ( 0.150 0.000 0.723) 0.738 26.911 ( -0.039 -0.000 -0.185) 0.189 ======================= Grid point 139 (60/251) ======================= q-point: ( 0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 10.274 -5.233 7.656) 13.841 1.879 ( 5.899 -18.129 16.791) 25.405 2.410 ( -10.976 -6.598 3.247) 13.212 2.970 ( 0.957 -6.075 -18.440) 19.438 3.416 ( -2.311 -9.355 -0.005) 9.636 3.616 ( 13.953 5.238 11.811) 19.017 3.886 ( 10.827 -7.087 5.466) 14.047 4.077 ( -4.513 4.979 -9.162) 11.362 4.378 ( -3.581 6.021 2.601) 7.473 4.776 ( -3.918 -9.950 -1.648) 10.820 5.022 ( -1.614 -2.836 -4.554) 5.602 5.443 ( -4.569 1.871 -5.988) 7.761 5.531 ( 4.944 -1.408 -5.055) 7.210 5.635 ( 6.866 -2.159 -0.414) 7.209 5.962 ( -2.651 -1.475 0.842) 3.148 6.327 ( -3.518 2.806 0.724) 4.558 6.474 ( -3.656 -0.598 5.602) 6.716 6.558 ( 2.410 -0.789 -1.092) 2.761 7.545 ( 1.504 0.015 2.161) 2.633 7.733 ( 1.135 -0.480 1.152) 1.687 7.974 ( -4.270 2.756 2.037) 5.475 8.229 ( 0.268 5.474 -1.513) 5.686 8.604 ( 4.540 1.080 0.561) 4.700 8.765 ( -3.900 -2.924 -2.335) 5.405 10.302 ( 6.649 -4.206 1.872) 8.087 10.393 ( 3.179 5.386 -0.651) 6.288 10.736 ( 2.351 -0.074 -2.977) 3.794 10.868 ( -2.388 -5.195 -2.606) 6.284 11.489 ( -13.200 2.044 2.555) 13.599 11.927 ( 0.043 2.336 -0.040) 2.336 12.043 ( 2.314 2.295 1.589) 3.626 12.240 ( -3.119 0.902 0.357) 3.266 12.391 ( 2.805 0.289 2.748) 3.938 12.656 ( -4.457 -6.728 -2.746) 8.525 13.705 ( -10.941 4.370 10.690) 15.909 14.272 ( 7.177 -1.031 -1.463) 7.397 15.739 ( 12.007 3.291 -6.095) 13.862 16.176 ( -4.341 0.142 1.307) 4.535 26.546 ( 0.435 -0.352 0.128) 0.574 26.558 ( -0.162 -0.847 -0.396) 0.949 26.866 ( 0.030 1.301 0.547) 1.412 26.900 ( -0.048 1.100 -0.209) 1.121 ======================= Grid point 140 (61/251) ======================= q-point: ( 0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 7.512 -12.953 0.315) 14.977 2.322 ( 4.038 -20.075 13.275) 24.403 2.494 ( -8.071 -9.505 0.798) 12.495 3.078 ( 5.882 -8.599 -17.448) 20.322 3.545 ( -1.842 10.303 2.130) 10.681 3.619 ( -1.976 -12.868 4.140) 13.661 3.882 ( -7.498 -0.627 -14.836) 16.635 4.034 ( 6.615 3.999 7.539) 10.798 4.441 ( 3.339 -7.990 3.110) 9.201 4.899 ( 3.133 -4.519 -0.253) 5.505 5.095 ( -1.441 -7.724 -2.922) 8.383 5.365 ( 0.600 2.502 -6.865) 7.332 5.589 ( 4.460 -2.466 -1.992) 5.472 5.738 ( 5.212 -3.081 1.578) 6.257 5.959 ( -5.644 -1.226 1.579) 5.988 6.246 ( -3.148 2.834 0.278) 4.245 6.479 ( -4.064 -0.554 8.122) 9.099 6.591 ( 2.385 -1.305 0.330) 2.739 7.537 ( -1.777 1.584 1.352) 2.738 7.775 ( 2.948 -2.156 1.491) 3.945 7.894 ( -3.235 2.893 0.902) 4.433 8.107 ( -0.321 7.130 -1.192) 7.236 8.571 ( 2.842 5.422 -1.531) 6.310 8.805 ( -1.138 -3.502 -2.083) 4.230 10.320 ( 1.747 4.726 0.909) 5.120 10.468 ( 6.440 -7.196 2.448) 9.963 10.760 ( 2.262 -1.495 -0.659) 2.791 10.899 ( -6.953 -3.078 -1.463) 7.743 11.373 ( -9.181 1.275 1.035) 9.327 11.871 ( -0.604 3.131 1.735) 3.630 12.025 ( 1.520 1.861 -0.334) 2.426 12.220 ( -1.269 -0.219 -0.458) 1.367 12.412 ( 2.903 0.429 0.903) 3.070 12.725 ( -2.014 -3.313 -0.957) 3.993 13.568 ( -8.572 4.621 6.192) 11.540 14.337 ( 6.104 -1.074 -2.903) 6.844 15.715 ( 6.996 6.103 -1.997) 9.496 16.155 ( -1.940 -0.365 0.165) 1.981 26.559 ( 0.240 -0.766 0.153) 0.817 26.578 ( 0.117 -1.424 -0.089) 1.432 26.835 ( -0.117 2.319 0.318) 2.344 26.871 ( -0.045 2.023 -0.206) 2.034 ======================= Grid point 141 (62/251) ======================= q-point: ( 0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 3.581 -12.812 -3.014) 13.640 2.599 ( -4.736 -7.331 -1.157) 8.804 2.714 ( 0.053 -16.708 5.878) 17.712 3.117 ( 1.232 8.486 -2.941) 9.066 3.380 ( 5.622 0.630 -11.908) 13.184 3.754 ( -2.373 -1.367 -9.735) 10.113 3.940 ( -7.089 -18.214 -1.333) 19.591 4.086 ( 7.747 -1.342 6.509) 10.208 4.565 ( -4.216 -5.401 -3.006) 7.482 4.951 ( 2.879 3.161 5.821) 7.222 5.205 ( 3.342 -2.324 -11.471) 12.171 5.355 ( 6.029 -2.568 -1.219) 6.666 5.673 ( 0.489 -4.332 1.932) 4.768 5.811 ( 4.704 0.266 1.858) 5.065 5.923 ( -8.474 -0.086 2.874) 8.948 6.223 ( -1.728 -3.360 0.542) 3.817 6.479 ( -5.146 -0.136 9.204) 10.546 6.653 ( 3.387 -2.417 3.639) 5.528 7.487 ( -2.814 1.741 0.963) 3.446 7.827 ( 0.696 1.472 -0.586) 1.731 7.864 ( 0.570 -2.150 1.724) 2.814 7.979 ( 0.556 5.134 -2.233) 5.626 8.459 ( 0.724 7.763 -1.035) 7.865 8.826 ( -0.302 0.000 -2.760) 2.776 10.255 ( -0.785 3.262 1.498) 3.675 10.658 ( 7.062 -5.863 2.228) 9.446 10.825 ( 0.224 -3.480 -0.605) 3.540 10.876 ( -6.838 -3.137 1.139) 7.609 11.316 ( -5.714 -1.276 0.797) 5.909 11.833 ( 0.101 1.580 1.778) 2.381 11.994 ( -0.523 2.024 0.173) 2.097 12.213 ( -1.006 -0.162 -1.258) 1.619 12.433 ( 2.457 -0.180 0.543) 2.523 12.699 ( 0.121 6.204 1.931) 6.499 13.485 ( -4.895 -0.825 0.488) 4.988 14.384 ( 4.955 -0.715 -4.796) 6.933 15.627 ( 2.131 7.227 1.061) 7.609 16.160 ( 0.331 -0.871 -0.441) 1.031 26.579 ( 0.103 -1.283 0.145) 1.295 26.609 ( 0.352 -1.756 0.173) 1.799 26.785 ( -0.356 3.002 0.019) 3.023 26.829 ( 0.046 2.396 -0.129) 2.400 ======================= Grid point 142 (63/251) ======================= q-point: (-0.30 -0.70 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 1.588 -4.108 -3.824) 5.832 2.612 ( -0.796 7.369 0.248) 7.416 2.831 ( -18.099 -7.434 -4.372) 20.049 3.072 ( 13.579 -0.622 3.642) 14.073 3.400 ( 9.610 0.049 -11.046) 14.641 3.807 ( 1.203 -8.481 -12.919) 15.501 4.116 ( -5.983 -7.214 -3.827) 10.123 4.292 ( 7.689 -10.491 5.945) 14.301 4.563 ( -4.628 -0.163 -2.148) 5.105 4.880 ( -0.065 7.316 5.277) 9.021 5.154 ( 5.815 5.613 -11.406) 13.979 5.471 ( 4.450 -3.412 -2.694) 6.222 5.744 ( -5.722 -4.330 2.612) 7.636 5.840 ( 3.663 0.800 5.595) 6.735 5.868 ( -4.702 0.293 2.412) 5.293 6.319 ( -3.148 -7.546 0.337) 8.183 6.467 ( -5.005 0.320 9.831) 11.037 6.752 ( 3.518 -3.509 6.036) 7.818 7.451 ( -1.270 0.765 1.025) 1.803 7.792 ( -3.152 3.326 -1.836) 4.936 7.828 ( 2.810 1.865 -1.149) 3.563 8.017 ( 3.496 -4.838 -1.075) 6.064 8.314 ( -0.965 7.681 0.469) 7.755 8.785 ( -0.399 2.635 -2.992) 4.006 10.207 ( -1.927 1.294 1.022) 2.536 10.751 ( -0.405 0.592 2.890) 2.977 10.799 ( 2.339 2.020 -0.728) 3.175 11.035 ( -1.696 -12.897 0.809) 13.033 11.333 ( -2.724 -3.828 2.090) 5.142 11.821 ( 0.928 1.150 1.192) 1.898 11.951 ( -2.290 1.759 2.316) 3.701 12.205 ( -1.811 -1.119 -1.213) 2.450 12.456 ( 0.919 -0.390 1.260) 1.608 12.533 ( 0.349 12.154 3.074) 12.541 13.524 ( 0.794 -5.128 -3.305) 6.152 14.406 ( 3.479 -0.300 -7.249) 8.046 15.512 ( -0.871 6.534 2.842) 7.178 16.183 ( 1.031 -1.150 -0.548) 1.639 26.608 ( 0.134 -1.773 0.148) 1.784 26.644 ( 0.350 -1.667 0.251) 1.721 26.726 ( -0.453 3.114 -0.118) 3.149 26.789 ( 0.052 1.943 -0.113) 1.947 ======================= Grid point 143 (64/251) ======================= q-point: (-0.20 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 4.024 10.818 -5.705) 12.875 2.357 ( -0.735 17.213 4.249) 17.745 2.878 ( -10.110 -9.422 -0.609) 13.833 3.206 ( 9.034 -5.202 -5.355) 11.719 3.497 ( 7.291 -4.658 -4.265) 9.646 3.862 ( -1.345 0.039 -11.036) 11.118 4.124 ( 1.655 2.773 -9.436) 9.973 4.435 ( 0.413 3.345 7.394) 8.126 4.596 ( 2.372 -6.708 3.697) 8.018 4.780 ( 0.922 3.438 2.508) 4.354 5.041 ( 6.632 7.486 -12.578) 16.069 5.502 ( -3.453 -1.201 -6.287) 7.273 5.745 ( -8.860 -1.576 5.013) 10.302 5.853 ( -1.603 -0.384 2.112) 2.679 5.903 ( 6.103 -0.661 5.305) 8.113 6.385 ( -7.298 -3.166 2.400) 8.309 6.474 ( -4.226 -1.979 7.004) 8.416 6.862 ( 1.617 -3.584 6.235) 7.371 7.442 ( 1.792 0.773 0.729) 2.083 7.683 ( -2.078 4.612 -2.179) 5.508 7.864 ( 3.160 -2.549 -1.632) 4.376 8.122 ( 1.145 -4.488 -1.116) 4.764 8.196 ( -0.645 4.243 0.759) 4.359 8.730 ( 0.494 1.714 -2.586) 3.142 10.184 ( -1.859 0.087 0.593) 1.953 10.687 ( -4.725 3.068 2.207) 6.050 10.798 ( 6.815 3.829 -0.010) 7.817 11.206 ( -3.850 -7.086 -2.022) 8.314 11.433 ( 0.581 -6.732 4.380) 8.053 11.814 ( 0.769 0.379 1.454) 1.687 11.908 ( -2.823 2.544 4.793) 6.117 12.233 ( -3.097 -4.070 2.117) 5.535 12.351 ( 1.368 7.487 0.722) 7.646 12.466 ( -0.562 -0.078 1.392) 1.503 13.630 ( 4.875 -4.955 -4.084) 8.062 14.399 ( 1.217 -0.058 -9.773) 9.848 15.409 ( -1.600 4.780 3.601) 6.195 16.210 ( 0.564 -1.249 -0.525) 1.468 26.638 ( 0.130 -0.552 -0.043) 0.569 26.660 ( 0.114 1.013 -0.458) 1.117 26.683 ( -0.230 -0.164 0.649) 0.708 26.770 ( 0.036 -0.135 -0.064) 0.154 ======================= Grid point 144 (65/251) ======================= q-point: (-0.10 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 7.227 20.599 -5.092) 22.416 2.081 ( 5.622 17.812 7.594) 20.163 2.973 ( -7.741 -7.793 1.932) 11.153 3.359 ( 6.783 -5.611 -3.201) 9.367 3.553 ( 2.559 6.121 -3.531) 7.515 3.734 ( -2.468 5.037 -7.365) 9.258 3.986 ( 8.469 10.627 -7.245) 15.399 4.371 ( -1.262 5.160 7.395) 9.105 4.666 ( 1.432 7.274 11.636) 13.797 4.820 ( -0.359 -5.813 -2.096) 6.189 4.968 ( 10.640 -0.963 -21.204) 23.743 5.420 ( -7.996 2.101 -6.323) 10.408 5.720 ( -5.660 -0.004 5.158) 7.658 5.841 ( -2.689 0.336 0.005) 2.710 5.986 ( 5.695 -0.706 4.671) 7.399 6.365 ( -6.804 -0.568 3.508) 7.676 6.486 ( -6.750 -1.721 4.343) 8.209 6.924 ( -2.786 -1.022 4.743) 5.595 7.467 ( 6.604 0.250 1.215) 6.720 7.586 ( -1.128 3.774 -1.875) 4.363 7.939 ( 2.148 -3.711 -2.128) 4.787 8.135 ( -4.535 -0.624 3.014) 5.481 8.214 ( 2.778 -3.304 -3.398) 5.494 8.736 ( 2.934 -1.892 -2.311) 4.187 10.170 ( -1.304 0.449 0.530) 1.478 10.596 ( -2.937 4.718 1.974) 5.897 10.756 ( 5.091 5.820 -0.491) 7.748 11.221 ( -2.970 0.224 -4.003) 4.990 11.560 ( -0.486 -4.246 7.201) 8.374 11.817 ( -3.605 0.829 2.616) 4.531 11.877 ( 1.403 -0.692 3.948) 4.246 12.240 ( -1.441 0.261 0.016) 1.464 12.380 ( -2.799 -4.747 5.069) 7.487 12.488 ( 1.453 -4.990 0.161) 5.199 13.734 ( 5.745 -3.007 -2.941) 7.120 14.358 ( -2.516 0.241 -10.816) 11.107 15.348 ( 0.822 2.733 2.829) 4.018 16.231 ( -0.492 -1.218 -0.311) 1.350 26.606 ( -0.044 2.369 -0.138) 2.373 26.647 ( 0.015 0.921 -0.793) 1.216 26.715 ( 0.094 -2.474 0.860) 2.621 26.794 ( 0.024 -2.187 0.043) 2.188 ======================= Grid point 149 (66/251) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 3.950 0.000 11.564) 12.220 1.731 ( 0.956 0.000 12.330) 12.367 2.282 ( -8.839 -0.000 4.366) 9.858 2.846 ( 1.274 0.000 -17.760) 17.805 3.306 ( -3.341 -0.000 -0.002) 3.341 3.809 ( 6.204 0.000 -8.308) 10.369 3.984 ( 25.144 0.000 19.229) 31.654 4.085 ( -1.563 -0.000 -1.767) 2.359 4.419 ( -14.465 -0.000 -5.303) 15.406 4.557 ( -7.009 -0.000 2.105) 7.318 4.973 ( 0.842 0.000 -4.976) 5.047 5.387 ( -7.051 -0.000 -0.146) 7.052 5.562 ( 9.555 0.000 -8.893) 13.053 5.667 ( 5.849 0.000 -0.848) 5.910 5.934 ( -2.296 -0.000 0.262) 2.311 6.334 ( -2.728 -0.000 -0.030) 2.729 6.455 ( -3.188 -0.000 7.421) 8.077 6.584 ( 4.726 0.000 -1.374) 4.922 7.571 ( 1.688 0.000 3.512) 3.896 7.732 ( -0.344 -0.000 0.123) 0.365 7.977 ( -4.344 -0.000 3.592) 5.637 8.291 ( 1.954 0.000 -2.147) 2.903 8.633 ( 2.503 0.000 1.426) 2.881 8.693 ( -4.208 -0.000 -3.682) 5.592 10.330 ( 7.417 0.000 2.518) 7.833 10.471 ( 2.607 0.000 -1.098) 2.829 10.714 ( -2.039 -0.000 -3.617) 4.152 10.806 ( -0.283 -0.000 -0.738) 0.790 11.425 ( -9.141 -0.000 -0.087) 9.141 11.943 ( -0.136 -0.000 -2.786) 2.789 12.090 ( 1.081 0.000 2.630) 2.843 12.234 ( -2.678 -0.000 1.491) 3.065 12.425 ( 1.937 0.000 2.414) 3.095 12.536 ( -3.567 -0.000 -1.436) 3.845 13.705 ( -8.802 -0.000 9.192) 12.727 14.308 ( 5.407 0.000 -1.116) 5.521 15.846 ( 11.366 0.000 -4.491) 12.221 16.145 ( -4.398 -0.000 1.140) 4.544 26.547 ( 0.358 0.000 0.213) 0.416 26.549 ( 0.072 0.000 -0.036) 0.080 26.879 ( -0.191 -0.000 0.320) 0.372 26.910 ( 0.055 0.000 -0.184) 0.192 ======================= Grid point 150 (67/251) ======================= q-point: ( 0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.566 -5.010 3.405) 6.084 1.987 ( -5.562 -18.876 11.570) 22.828 2.302 ( -4.567 -6.340 3.481) 8.554 2.898 ( 6.172 -8.682 -15.855) 19.101 3.364 ( -2.426 -8.592 0.192) 8.930 3.791 ( 0.145 0.490 -12.957) 12.967 3.878 ( -1.286 17.663 5.739) 18.617 4.184 ( 4.913 3.356 7.019) 9.201 4.319 ( -3.818 -5.250 -2.541) 6.971 4.711 ( -1.331 -16.039 2.183) 16.242 5.001 ( 3.499 -1.755 -1.591) 4.226 5.353 ( -2.404 -0.522 -0.609) 2.535 5.610 ( 9.129 -0.349 -7.936) 12.101 5.721 ( 2.808 -2.313 0.993) 3.771 5.912 ( -4.125 0.010 -0.027) 4.126 6.287 ( -1.578 2.850 -0.534) 3.301 6.467 ( -2.216 -0.227 8.520) 8.806 6.618 ( 4.654 -0.011 0.926) 4.745 7.568 ( -0.591 2.377 2.367) 3.406 7.752 ( 0.549 -2.475 1.003) 2.727 7.931 ( -3.374 2.693 3.274) 5.418 8.232 ( 1.114 6.468 -1.236) 6.679 8.643 ( -0.251 2.100 -4.063) 4.580 8.701 ( -0.870 -5.460 -0.771) 5.582 10.412 ( 2.448 0.258 0.219) 2.471 10.440 ( 3.721 1.223 2.768) 4.796 10.732 ( 0.090 -3.371 -1.246) 3.595 10.808 ( -2.228 -1.010 -1.064) 2.667 11.345 ( -5.561 1.862 -1.578) 6.073 11.911 ( -1.299 1.693 -1.894) 2.853 12.079 ( 0.699 2.613 1.360) 3.027 12.207 ( -1.109 0.589 0.165) 1.267 12.436 ( 0.136 -0.250 0.770) 0.821 12.599 ( -0.539 -6.998 0.394) 7.030 13.625 ( -7.132 4.729 7.107) 11.124 14.348 ( 3.395 -0.931 -1.713) 3.915 15.871 ( 8.028 4.941 -1.152) 9.497 16.128 ( -2.007 -0.952 0.231) 2.233 26.552 ( 0.144 -0.296 0.198) 0.384 26.559 ( 0.403 -0.837 0.364) 0.998 26.866 ( -0.362 1.261 0.081) 1.314 26.899 ( 0.098 1.157 -0.172) 1.174 ======================= Grid point 151 (68/251) ======================= q-point: (-0.40 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -1.869 -13.083 -3.226) 13.604 2.298 ( -13.179 -18.387 4.501) 23.066 2.456 ( 0.930 -11.332 1.931) 11.533 3.108 ( 9.842 -11.023 -11.867) 18.952 3.469 ( -3.726 4.529 -5.143) 7.800 3.628 ( -4.405 -6.575 1.470) 8.050 3.744 ( 2.617 4.154 -6.518) 8.160 4.185 ( 5.573 2.134 8.035) 10.008 4.371 ( -8.609 -7.308 -5.853) 12.719 5.007 ( -2.446 -14.230 -3.352) 14.823 5.047 ( 6.186 1.401 5.498) 8.393 5.366 ( 4.053 -1.260 -1.365) 4.458 5.657 ( 6.097 -0.325 -5.865) 8.466 5.802 ( 1.520 -3.933 1.934) 4.638 5.870 ( -6.134 -0.215 1.545) 6.330 6.221 ( 0.219 2.965 -0.958) 3.123 6.477 ( -2.360 0.450 8.902) 9.220 6.674 ( 4.432 -1.089 5.476) 7.129 7.510 ( -1.760 2.769 -0.061) 3.281 7.819 ( -1.633 -2.706 2.991) 4.351 7.871 ( 1.049 2.106 1.487) 2.784 8.102 ( 0.788 7.740 -1.012) 7.846 8.561 ( -1.829 4.549 -3.941) 6.290 8.782 ( 0.499 -3.532 -2.796) 4.532 10.327 ( -1.716 5.268 0.819) 5.601 10.561 ( 0.343 -7.769 3.360) 8.471 10.797 ( -3.120 -0.665 -0.686) 3.263 10.807 ( 5.199 -2.444 -0.210) 5.749 11.277 ( -3.168 0.825 -1.159) 3.472 11.864 ( -1.360 1.695 0.468) 2.223 12.030 ( -0.459 2.740 -0.805) 2.893 12.200 ( -0.388 -0.061 -1.103) 1.170 12.447 ( 0.319 -0.364 1.016) 1.126 12.722 ( 1.940 -4.332 0.726) 4.802 13.497 ( -5.127 5.087 4.070) 8.290 14.378 ( 1.416 -1.139 -2.990) 3.499 15.796 ( 3.857 8.198 1.387) 9.166 16.145 ( 0.737 -1.146 0.005) 1.363 26.562 ( 0.022 -0.733 0.241) 0.772 26.586 ( 0.619 -1.364 0.582) 1.607 26.829 ( -0.561 2.327 -0.198) 2.402 26.871 ( 0.172 2.041 -0.128) 2.052 ======================= Grid point 152 (69/251) ======================= q-point: (-0.30 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -2.902 -14.334 -5.650) 15.678 2.458 ( -15.967 -13.113 -1.788) 20.738 2.638 ( -1.303 -5.486 -2.077) 6.009 3.225 ( 6.046 3.136 2.718) 7.334 3.431 ( 11.372 -3.636 -13.580) 18.082 3.656 ( -0.494 -1.795 -9.488) 9.669 3.857 ( -1.495 -12.418 0.650) 12.524 4.272 ( 6.926 -3.659 7.397) 10.773 4.419 ( -8.794 -7.686 -4.264) 12.434 5.009 ( 0.172 4.286 0.717) 4.349 5.151 ( -2.363 -3.820 -4.347) 6.251 5.454 ( 5.974 -2.280 -0.892) 6.456 5.662 ( -0.856 0.241 -2.247) 2.417 5.827 ( -4.434 -1.143 0.738) 4.638 5.912 ( 4.659 -2.019 6.065) 7.910 6.204 ( -0.172 -1.780 -1.318) 2.222 6.474 ( -3.469 0.790 9.911) 10.530 6.760 ( 3.895 -1.974 8.411) 9.477 7.462 ( -0.219 1.197 -0.952) 1.545 7.788 ( -4.365 1.176 -0.332) 4.533 7.907 ( 2.716 1.495 1.686) 3.529 8.002 ( 3.240 2.041 -0.593) 3.875 8.429 ( -2.973 6.549 -2.387) 7.578 8.802 ( 0.382 0.427 -4.051) 4.092 10.229 ( -3.151 3.279 0.551) 4.581 10.704 ( -6.426 -5.798 4.157) 9.602 10.813 ( 1.163 -5.686 -0.247) 5.809 10.883 ( 7.435 -0.284 -0.809) 7.484 11.269 ( -1.176 -2.007 1.083) 2.566 11.840 ( -0.655 0.475 1.221) 1.465 11.973 ( -1.907 2.230 -0.618) 2.998 12.186 ( -0.689 0.533 -1.779) 1.981 12.460 ( -0.186 -0.383 1.686) 1.738 12.730 ( 1.455 6.619 2.772) 7.322 13.449 ( 0.590 -2.316 -0.947) 2.571 14.386 ( -0.611 -0.769 -4.834) 4.933 15.667 ( 1.724 9.002 2.575) 9.521 16.172 ( 1.096 -0.875 0.204) 1.418 26.582 ( 0.022 -1.325 0.297) 1.359 26.619 ( 0.608 -1.564 0.592) 1.779 26.776 ( -0.617 2.935 -0.340) 3.019 26.830 ( 0.152 2.455 -0.159) 2.465 ======================= Grid point 153 (70/251) ======================= q-point: (-0.20 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.988 -7.379 -5.365) 9.176 2.504 ( -16.649 -5.471 -3.178) 17.811 2.644 ( 1.939 -0.092 0.691) 2.060 3.232 ( 8.273 1.968 -9.711) 12.908 3.505 ( 8.807 -0.887 0.955) 8.903 3.748 ( 0.629 -7.001 -10.255) 12.433 4.023 ( 1.222 -7.820 -7.001) 10.567 4.451 ( -3.665 -9.161 -0.050) 9.867 4.481 ( 5.076 -3.672 3.814) 7.335 4.920 ( 0.609 6.026 3.708) 7.101 5.131 ( -0.812 1.710 -8.101) 8.319 5.461 ( -2.116 1.625 -5.076) 5.735 5.650 ( -4.002 -0.831 4.064) 5.764 5.827 ( -2.641 -1.479 0.980) 3.182 6.000 ( 9.074 0.685 6.744) 11.326 6.252 ( -4.189 -4.839 -1.382) 6.548 6.465 ( -4.694 0.612 10.847) 11.834 6.851 ( 1.923 -2.010 8.020) 8.488 7.460 ( 2.369 -0.337 -0.975) 2.584 7.714 ( -4.763 2.480 -2.786) 6.049 7.887 ( 4.672 1.887 0.899) 5.119 8.057 ( 1.597 -3.305 -0.186) 3.675 8.283 ( -2.407 6.101 -1.020) 6.638 8.760 ( 0.199 2.276 -3.642) 4.299 10.174 ( -2.470 0.663 0.376) 2.585 10.692 ( -5.326 0.779 3.151) 6.237 10.921 ( 8.063 2.437 -1.736) 8.601 10.996 ( -2.045 -11.199 0.904) 11.420 11.339 ( 0.546 -5.241 3.647) 6.408 11.835 ( -0.067 0.553 0.068) 0.561 11.924 ( -2.822 0.993 2.186) 3.705 12.170 ( -1.240 -0.740 -0.902) 1.703 12.465 ( -1.300 0.012 2.090) 2.461 12.557 ( -0.330 12.298 3.199) 12.712 13.560 ( 6.615 -6.236 -4.074) 9.962 14.362 ( -2.613 -0.162 -6.945) 7.422 15.534 ( 1.151 7.761 2.860) 8.351 16.194 ( 0.414 -0.791 0.104) 0.898 26.612 ( 0.122 -1.826 0.282) 1.852 26.652 ( 0.356 -1.361 0.394) 1.461 26.717 ( -0.463 2.905 -0.228) 2.950 26.789 ( 0.052 2.004 -0.226) 2.017 ======================= Grid point 154 (71/251) ======================= q-point: (-0.10 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 3.723 7.515 -5.278) 9.910 2.388 ( 0.802 8.739 3.277) 9.368 2.732 ( -6.910 -9.888 1.015) 12.106 3.271 ( 5.705 -5.458 -11.916) 14.294 3.591 ( 6.667 0.345 0.384) 6.687 3.754 ( -4.338 0.701 -6.815) 8.109 4.098 ( 5.153 -0.049 -11.415) 12.524 4.499 ( 0.858 0.483 4.166) 4.281 4.655 ( 2.763 -6.870 2.302) 7.755 4.853 ( 2.870 4.401 6.092) 8.045 5.033 ( 2.647 5.167 -12.667) 13.934 5.375 ( -5.328 1.940 -4.697) 7.363 5.651 ( -5.322 -1.721 4.679) 7.292 5.829 ( -2.362 -0.177 0.570) 2.436 6.075 ( 8.654 1.573 6.138) 10.726 6.275 ( -6.882 -3.113 -0.957) 7.614 6.452 ( -5.528 0.377 10.638) 11.995 6.903 ( -1.793 -0.908 5.253) 5.624 7.504 ( 5.058 -1.335 0.160) 5.234 7.626 ( -2.657 2.536 -2.444) 4.412 7.914 ( 3.728 -0.563 -1.458) 4.042 8.104 ( -3.691 -1.297 2.834) 4.831 8.192 ( 1.288 1.400 -4.030) 4.456 8.731 ( 1.443 -0.005 -1.638) 2.183 10.161 ( -1.253 -0.357 0.564) 1.420 10.639 ( -3.436 2.252 2.858) 5.005 10.909 ( 7.198 5.151 -1.776) 9.027 11.125 ( -4.451 -5.638 -0.643) 7.212 11.478 ( 0.085 -6.936 5.942) 9.134 11.808 ( -1.672 1.248 -0.931) 2.284 11.910 ( -1.203 0.552 4.963) 5.137 12.206 ( -2.431 -3.938 3.498) 5.801 12.376 ( 1.030 6.241 0.253) 6.330 12.457 ( -1.550 0.260 1.114) 1.926 13.705 ( 7.393 -4.579 -4.411) 9.751 14.306 ( -3.839 0.466 -8.405) 9.252 15.439 ( 2.313 4.956 2.106) 5.861 16.207 ( -0.582 -0.764 -0.092) 0.965 26.640 ( 0.072 0.114 -0.003) 0.135 26.658 ( 0.117 0.984 -0.655) 1.188 26.686 ( -0.145 -0.687 0.856) 1.107 26.769 ( 0.000 -0.221 -0.134) 0.258 ======================= Grid point 160 (72/251) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -7.978 -0.000 6.523) 10.305 1.722 ( -10.412 -0.000 6.537) 12.294 2.238 ( -0.645 -0.000 5.568) 5.605 2.820 ( 9.189 0.000 -13.987) 16.735 3.279 ( 0.057 0.000 0.013) 0.058 3.734 ( -3.478 -0.000 -13.612) 14.050 4.018 ( -29.220 -0.000 -4.885) 29.626 4.194 ( 10.694 0.000 7.212) 12.899 4.392 ( 12.450 0.000 5.918) 13.785 4.467 ( -4.564 -0.000 -2.034) 4.997 5.045 ( 9.843 0.000 2.860) 10.250 5.335 ( 0.142 0.000 0.717) 0.731 5.642 ( 5.028 0.000 -5.324) 7.323 5.721 ( 3.390 0.000 -1.656) 3.773 5.882 ( -3.730 -0.000 -1.325) 3.959 6.298 ( -1.221 -0.000 -1.248) 1.746 6.496 ( 0.763 0.000 10.275) 10.303 6.659 ( 4.741 0.000 1.588) 5.000 7.615 ( -0.050 -0.000 5.271) 5.271 7.710 ( -1.868 -0.000 -1.460) 2.371 7.943 ( -2.818 -0.000 3.247) 4.299 8.314 ( 2.293 0.000 -0.874) 2.454 8.584 ( -5.536 -0.000 -3.771) 6.698 8.677 ( 2.592 0.000 -2.078) 3.322 10.405 ( -2.638 -0.000 1.667) 3.120 10.503 ( 1.685 0.000 0.401) 1.732 10.703 ( 5.550 0.000 0.774) 5.604 10.792 ( -0.420 -0.000 -1.582) 1.637 11.324 ( -2.973 -0.000 -2.905) 4.157 11.898 ( -1.743 -0.000 -5.297) 5.576 12.112 ( -0.368 -0.000 2.475) 2.502 12.229 ( 0.143 0.000 2.514) 2.518 12.385 ( -5.090 -0.000 -2.590) 5.711 12.559 ( 3.763 0.000 3.043) 4.840 13.642 ( -6.128 -0.000 6.217) 8.730 14.349 ( 0.662 0.000 -1.261) 1.424 15.992 ( 8.666 0.000 1.487) 8.793 16.097 ( -1.864 -0.000 -0.258) 1.882 26.554 ( 0.246 0.000 0.562) 0.613 26.555 ( 0.453 0.000 0.481) 0.661 26.874 ( -0.507 -0.000 -0.110) 0.519 26.910 ( 0.143 0.000 -0.186) 0.234 ======================= Grid point 161 (73/251) ======================= q-point: (-0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -10.214 -6.183 -1.261) 12.006 1.863 ( -16.516 -17.314 5.805) 24.622 2.324 ( 3.257 -6.104 4.555) 8.284 2.947 ( 10.944 -9.086 -11.582) 18.343 3.342 ( -1.916 -6.692 -3.295) 7.702 3.597 ( -8.740 4.404 -9.001) 13.297 3.802 ( -15.045 -0.955 -1.728) 15.174 4.204 ( 2.235 5.093 0.514) 5.585 4.346 ( 5.449 2.988 3.763) 7.265 4.709 ( -0.892 -15.068 -3.329) 15.457 5.144 ( 8.584 0.470 7.069) 11.130 5.372 ( 5.895 -1.625 0.343) 6.125 5.659 ( 0.424 -1.416 -3.782) 4.060 5.762 ( 3.023 -1.978 -1.715) 3.999 5.840 ( -2.605 0.908 -0.802) 2.873 6.270 ( 0.385 1.878 -1.827) 2.649 6.528 ( 1.497 1.740 10.137) 10.394 6.711 ( 4.201 -0.717 5.870) 7.254 7.561 ( -1.760 4.366 0.795) 4.774 7.751 ( -2.902 -4.147 2.456) 5.626 7.918 ( 0.025 1.680 1.914) 2.546 8.248 ( 1.560 7.307 0.206) 7.475 8.552 ( -5.007 -0.720 -5.611) 7.554 8.717 ( 2.541 -3.227 -2.554) 4.837 10.380 ( -5.650 0.418 0.417) 5.681 10.479 ( -1.331 1.218 2.541) 3.116 10.771 ( 0.956 -0.219 -1.188) 1.540 10.822 ( 8.902 -2.890 -0.096) 9.360 11.278 ( -1.646 1.573 -2.125) 3.115 11.863 ( -2.039 0.246 -4.078) 4.566 12.081 ( -1.485 3.464 1.139) 3.938 12.208 ( 0.883 1.314 0.110) 1.587 12.402 ( -3.677 -4.085 0.298) 5.504 12.648 ( 4.665 -5.168 1.591) 7.142 13.570 ( -5.335 4.764 4.921) 8.682 14.349 ( -1.771 -0.938 -1.699) 2.627 15.976 ( 4.529 6.997 2.711) 8.764 16.130 ( 2.191 -1.943 1.035) 3.106 26.556 ( 0.093 -0.106 0.528) 0.546 26.573 ( 0.712 -0.953 0.848) 1.461 26.857 ( -0.650 1.310 -0.323) 1.497 26.901 ( 0.189 1.128 -0.188) 1.159 ======================= Grid point 162 (74/251) ======================= q-point: (-0.30 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -9.677 -15.345 -6.688) 19.335 2.042 ( -20.570 -16.410 0.497) 26.318 2.513 ( 5.328 -8.902 1.336) 10.461 3.158 ( 0.069 -9.576 -5.931) 11.264 3.382 ( 2.275 -5.408 -10.710) 12.212 3.575 ( -0.261 -5.210 -6.379) 8.240 3.768 ( -0.760 -2.177 4.190) 4.783 4.154 ( -7.230 -3.311 -2.386) 8.302 4.369 ( 6.440 1.644 5.456) 8.599 4.895 ( -2.978 -9.850 -8.896) 13.603 5.165 ( 0.062 3.537 6.928) 7.779 5.473 ( 8.043 -1.473 0.485) 8.191 5.673 ( 1.719 -0.755 -4.689) 5.051 5.770 ( -4.756 -0.945 -0.236) 4.855 5.884 ( 4.559 -4.089 3.890) 7.255 6.236 ( 2.817 2.349 -1.836) 4.102 6.522 ( -0.610 2.906 9.767) 10.208 6.791 ( 3.235 -1.485 10.330) 10.926 7.485 ( -0.448 2.252 -2.339) 3.278 7.759 ( -6.630 0.021 1.705) 6.846 7.936 ( 4.409 -0.915 1.718) 4.820 8.125 ( 2.152 7.567 0.928) 7.921 8.470 ( -5.093 3.022 -5.163) 7.857 8.781 ( 2.129 -2.166 -4.319) 5.280 10.279 ( -4.202 5.139 -0.411) 6.650 10.521 ( -6.276 -7.514 3.806) 10.504 10.770 ( -0.722 -0.483 -0.600) 1.055 10.947 ( 11.488 -1.446 -2.479) 11.841 11.253 ( 0.136 -0.026 1.752) 1.757 11.835 ( -1.903 0.002 -1.033) 2.165 12.001 ( -2.204 3.260 -1.212) 4.118 12.198 ( 1.139 1.067 -0.872) 1.788 12.438 ( -2.331 -2.050 2.123) 3.761 12.788 ( 5.201 -3.320 0.787) 6.220 13.458 ( -2.479 3.580 2.117) 4.843 14.339 ( -3.652 -1.069 -2.980) 4.833 15.867 ( 3.183 9.592 3.509) 10.698 16.173 ( 1.685 -0.481 1.778) 2.497 26.565 ( -0.061 -0.670 0.508) 0.843 26.603 ( 0.827 -1.243 0.911) 1.749 26.817 ( -0.695 2.322 -0.437) 2.463 26.873 ( 0.176 2.048 -0.240) 2.069 ======================= Grid point 163 (75/251) ======================= q-point: (-0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -7.700 -18.213 -8.469) 21.511 2.135 ( -20.476 -13.840 -2.401) 24.831 2.680 ( 6.101 -3.317 -0.461) 6.959 3.249 ( 0.316 -4.059 -7.575) 8.599 3.534 ( 9.704 -4.307 -7.759) 13.150 3.623 ( -0.296 -5.787 -2.723) 6.403 3.891 ( 5.445 -6.589 -2.314) 8.856 4.204 ( -10.012 -9.985 0.658) 14.156 4.440 ( 2.695 -4.043 4.630) 6.711 4.963 ( 0.937 -2.348 -9.832) 10.152 5.102 ( -4.583 2.530 4.025) 6.604 5.490 ( 1.002 3.050 -3.184) 4.521 5.691 ( 5.398 1.393 0.823) 5.635 5.767 ( -3.563 -2.306 0.237) 4.251 6.027 ( 2.401 -5.733 6.294) 8.846 6.223 ( 4.867 1.954 -1.048) 5.348 6.492 ( -3.764 2.243 11.065) 11.901 6.870 ( 1.537 -0.937 10.174) 10.332 7.466 ( 2.399 -0.345 -3.222) 4.031 7.689 ( -6.982 1.274 -1.464) 7.247 7.981 ( 4.439 1.934 2.266) 5.346 8.050 ( 2.419 2.146 0.896) 3.356 8.347 ( -4.290 4.455 -3.471) 7.092 8.784 ( 1.320 1.296 -5.222) 5.540 10.177 ( -3.201 2.249 -0.189) 3.917 10.625 ( -6.241 -5.998 4.194) 9.618 10.795 ( -2.375 -5.063 -0.398) 5.607 11.034 ( 11.074 0.078 -3.885) 11.736 11.294 ( 1.726 -2.103 5.507) 6.142 11.826 ( -1.596 -0.540 -0.105) 1.688 11.929 ( -2.786 1.966 -0.961) 3.543 12.178 ( 1.068 1.610 -0.978) 2.165 12.454 ( -2.176 -0.755 2.879) 3.687 12.765 ( -0.080 9.053 3.052) 9.554 13.490 ( 6.224 -5.532 -3.138) 8.899 14.307 ( -4.643 -0.513 -4.875) 6.751 15.718 ( 1.575 10.135 4.045) 11.026 16.191 ( 0.551 -0.124 1.140) 1.272 26.584 ( -0.092 -1.385 0.460) 1.462 26.634 ( 0.581 -1.243 0.672) 1.528 26.764 ( -0.546 2.802 -0.344) 2.875 26.831 ( 0.101 2.510 -0.332) 2.534 ======================= Grid point 164 (76/251) ======================= q-point: (-0.10 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -4.047 -13.560 -7.398) 15.968 2.239 ( -14.103 -14.000 -1.156) 19.905 2.722 ( 5.946 3.348 1.817) 7.061 3.246 ( 6.226 1.454 -14.810) 16.130 3.622 ( 1.445 -1.392 -1.573) 2.549 3.722 ( 4.507 -2.659 -0.734) 5.284 4.040 ( 5.503 -6.776 -8.850) 12.430 4.343 ( -5.817 -11.750 0.432) 13.118 4.574 ( -2.211 -7.790 5.410) 9.739 4.942 ( 2.907 2.702 -4.306) 5.856 5.043 ( -2.377 1.462 -5.239) 5.936 5.403 ( -0.503 4.691 -1.693) 5.012 5.689 ( 3.864 3.781 3.191) 6.277 5.789 ( -2.395 -2.308 0.433) 3.354 6.130 ( -4.046 -3.588 4.186) 6.839 6.237 ( 7.938 2.166 2.261) 8.533 6.465 ( -4.978 1.135 12.263) 13.283 6.906 ( -1.238 0.408 6.124) 6.261 7.510 ( 4.727 -1.993 -1.310) 5.294 7.609 ( -5.801 0.627 -2.663) 6.414 7.969 ( 4.072 3.046 0.414) 5.102 8.062 ( -1.038 -1.214 1.653) 2.298 8.235 ( -1.317 3.860 -3.499) 5.374 8.744 ( 0.849 1.464 -3.531) 3.916 10.147 ( -0.979 -0.309 0.495) 1.140 10.643 ( -3.652 -0.089 3.538) 5.085 10.895 ( -4.448 -7.522 -2.278) 9.031 11.100 ( 9.555 1.240 -0.548) 9.651 11.387 ( 0.886 -4.820 6.265) 7.954 11.813 ( -1.442 0.783 -2.290) 2.818 11.897 ( -2.966 -1.106 2.995) 4.358 12.166 ( 0.980 -0.048 0.416) 1.065 12.446 ( -2.863 0.831 2.558) 3.928 12.561 ( -1.915 11.426 2.829) 11.926 13.657 ( 8.775 -6.041 -5.298) 11.899 14.256 ( -3.462 0.034 -6.847) 7.672 15.574 ( 0.520 7.772 3.591) 8.577 16.197 ( -0.137 -0.093 0.273) 0.319 26.615 ( -0.005 -1.939 0.356) 1.972 26.659 ( 0.167 -0.899 0.149) 0.927 26.710 ( -0.309 2.592 0.033) 2.611 26.788 ( 0.064 2.030 -0.344) 2.060 ======================= Grid point 171 (77/251) ======================= q-point: (-0.40 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -17.558 -0.000 2.130) 17.687 1.515 ( -18.816 -0.000 2.929) 19.043 2.326 ( 5.760 0.000 6.740) 8.865 2.917 ( 11.040 0.000 -10.988) 15.577 3.202 ( -16.019 -0.000 -8.978) 18.364 3.570 ( -15.343 -0.000 6.350) 16.606 3.591 ( -2.378 -0.000 -12.222) 12.452 4.367 ( -3.133 -0.000 -5.824) 6.613 4.453 ( 12.126 0.000 8.700) 14.925 4.495 ( 2.111 0.000 -3.833) 4.376 5.231 ( 4.658 0.000 6.501) 7.997 5.431 ( 12.430 0.000 2.205) 12.624 5.616 ( -4.021 -0.000 -0.763) 4.093 5.735 ( -3.357 -0.000 -4.084) 5.287 5.859 ( 5.440 0.000 -1.691) 5.696 6.281 ( 0.766 0.000 -2.685) 2.793 6.609 ( 3.571 0.000 11.818) 12.346 6.759 ( 4.266 0.000 7.259) 8.419 7.637 ( -2.245 -0.000 6.413) 6.794 7.639 ( -5.608 -0.000 -3.076) 6.396 7.940 ( 0.823 0.000 1.013) 1.305 8.353 ( 2.377 0.000 1.488) 2.804 8.464 ( -5.259 -0.000 -5.443) 7.568 8.695 ( 2.394 0.000 -4.252) 4.880 10.311 ( -7.799 -0.000 1.135) 7.881 10.523 ( -0.087 -0.000 1.365) 1.368 10.774 ( -0.106 -0.000 -2.299) 2.301 10.869 ( 12.416 0.000 -0.891) 12.447 11.277 ( -1.318 -0.000 -0.936) 1.616 11.825 ( -1.747 -0.000 -7.484) 7.685 12.117 ( -1.432 -0.000 3.181) 3.488 12.263 ( 1.561 0.000 3.043) 3.420 12.278 ( -5.851 -0.000 -2.642) 6.420 12.647 ( 4.949 0.000 1.803) 5.267 13.590 ( -5.350 -0.000 4.577) 7.041 14.310 ( -4.556 -0.000 -1.129) 4.694 16.088 ( 1.568 0.000 -1.655) 2.280 16.149 ( 7.142 0.000 8.929) 11.434 26.563 ( 0.214 0.000 1.015) 1.037 26.569 ( 0.712 0.000 0.849) 1.108 26.862 ( -0.714 -0.000 -0.446) 0.842 26.912 ( 0.201 0.000 -0.236) 0.310 ======================= Grid point 172 (78/251) ======================= q-point: (-0.30 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -17.032 -8.257 -3.744) 19.295 1.579 ( -22.216 -15.871 2.445) 27.413 2.445 ( 6.921 -4.867 5.468) 10.074 2.916 ( -22.189 -7.383 -9.483) 25.235 3.178 ( 4.067 -10.012 -7.626) 13.226 3.518 ( 2.090 -0.151 -7.510) 7.797 3.647 ( -1.190 -7.271 4.767) 8.775 4.202 ( -0.967 7.998 -5.285) 9.635 4.480 ( 3.378 2.501 2.707) 5.000 4.683 ( 4.456 -9.474 -2.992) 10.888 5.242 ( -0.596 2.935 4.360) 5.290 5.538 ( 7.918 0.806 1.544) 8.108 5.616 ( -0.120 -3.244 -0.289) 3.259 5.708 ( -3.528 -2.359 -1.831) 4.622 5.907 ( 7.103 -0.262 0.230) 7.111 6.276 ( 2.471 0.622 -2.945) 3.895 6.636 ( 2.914 4.467 10.697) 11.953 6.831 ( 3.009 -0.848 12.210) 12.604 7.514 ( -3.619 3.494 -3.068) 5.892 7.692 ( -6.440 -2.656 3.792) 7.932 7.960 ( 3.718 -0.629 0.451) 3.797 8.283 ( 1.742 7.198 1.797) 7.621 8.434 ( -4.447 -0.151 -5.611) 7.161 8.733 ( 2.769 -3.333 -5.341) 6.878 10.281 ( -6.081 -1.566 0.043) 6.280 10.455 ( -3.724 4.629 2.033) 6.279 10.763 ( -0.000 0.242 -1.579) 1.598 10.986 ( 11.244 -2.532 -6.749) 13.356 11.271 ( 0.627 0.107 5.371) 5.408 11.800 ( -1.314 -1.154 -5.738) 5.998 12.051 ( -3.109 4.709 0.884) 5.711 12.227 ( 1.319 0.533 -0.540) 1.522 12.355 ( -2.827 -5.252 2.706) 6.550 12.744 ( 6.384 -5.437 0.057) 8.386 13.519 ( -4.950 4.276 3.723) 7.526 14.272 ( -6.312 -1.045 -1.611) 6.597 16.055 ( 4.091 5.579 1.072) 7.001 16.215 ( 3.916 2.041 9.003) 10.028 26.562 ( 0.043 0.194 0.929) 0.950 26.592 ( 0.863 -1.076 1.088) 1.757 26.843 ( -0.725 1.304 -0.508) 1.576 26.902 ( 0.187 1.140 -0.301) 1.194 ======================= Grid point 173 (79/251) ======================= q-point: (-0.20 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -13.166 -18.542 -8.182) 24.168 1.689 ( -22.770 -15.853 -1.401) 27.780 2.631 ( 6.750 -7.769 2.389) 10.565 2.957 ( -18.640 -18.603 -3.091) 26.516 3.409 ( 3.310 -10.778 -6.282) 12.907 3.528 ( 6.797 -1.980 -10.329) 12.522 3.831 ( 4.569 -7.892 6.147) 10.997 4.078 ( -2.246 2.012 -3.331) 4.493 4.446 ( -1.192 2.249 0.268) 2.560 4.858 ( 6.118 -7.106 -5.160) 10.702 5.156 ( -4.447 4.885 2.692) 7.133 5.536 ( -0.038 1.559 -1.212) 1.975 5.674 ( -0.626 -3.196 -3.150) 4.531 5.766 ( 4.932 -1.119 4.400) 6.704 5.981 ( 3.542 -2.346 2.752) 5.062 6.289 ( 5.457 0.230 -1.208) 5.593 6.578 ( -1.297 5.959 10.682) 12.300 6.906 ( 0.843 -0.597 13.111) 13.152 7.456 ( -0.175 -0.332 -5.495) 5.507 7.651 ( -7.790 1.179 1.218) 7.972 8.016 ( 4.201 -0.887 0.422) 4.315 8.180 ( 2.917 6.908 3.549) 8.296 8.354 ( -4.340 2.347 -5.481) 7.375 8.784 ( 2.856 -1.243 -6.695) 7.384 10.203 ( -4.190 4.032 -1.655) 6.045 10.449 ( -5.929 -7.212 4.160) 10.221 10.750 ( -1.274 0.176 -0.863) 1.549 11.069 ( 8.149 -1.957 -9.724) 12.837 11.328 ( 4.091 -0.437 10.821) 11.577 11.798 ( -0.893 -0.902 -2.430) 2.741 11.950 ( -2.838 3.477 -1.368) 4.693 12.223 ( 2.372 1.683 -0.519) 2.954 12.417 ( -2.361 -2.691 3.733) 5.171 12.872 ( 4.048 -0.073 0.463) 4.075 13.453 ( 1.401 -1.006 -0.148) 1.731 14.235 ( -6.265 -1.245 -3.252) 7.168 15.944 ( 2.463 11.144 5.520) 12.678 16.213 ( 0.409 1.772 4.485) 4.839 26.567 ( -0.240 -0.530 0.745) 0.946 26.622 ( 0.726 -1.004 0.845) 1.500 26.804 ( -0.561 2.214 -0.368) 2.314 26.873 ( 0.118 2.088 -0.393) 2.128 ======================= Grid point 174 (80/251) ======================= q-point: (-0.10 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -8.997 -21.716 -8.915) 25.140 1.822 ( -16.846 -18.135 -1.334) 24.788 2.795 ( 7.877 -2.380 0.211) 8.232 3.181 ( -2.290 -12.807 -6.414) 14.505 3.534 ( -8.548 -12.658 2.465) 15.472 3.635 ( 9.362 -1.089 -9.298) 13.240 3.953 ( 5.555 -2.114 -8.833) 10.647 4.139 ( -1.492 -9.215 7.111) 11.735 4.420 ( -5.902 -3.601 -0.056) 6.915 4.989 ( 10.050 -1.415 -10.090) 14.312 5.048 ( -3.900 2.897 2.371) 5.406 5.482 ( -0.408 3.694 0.142) 3.719 5.714 ( -1.020 -3.231 -2.710) 4.338 5.807 ( 4.941 2.636 4.103) 6.943 6.043 ( -3.205 -2.803 2.993) 5.204 6.347 ( 8.361 0.201 3.037) 8.897 6.505 ( -4.277 3.386 11.584) 12.804 6.939 ( -0.955 1.308 8.307) 8.464 7.480 ( 1.361 -3.493 -4.494) 5.853 7.568 ( -6.205 1.365 -0.154) 6.355 8.033 ( 0.934 1.235 -1.082) 1.889 8.112 ( 3.275 5.083 4.616) 7.607 8.265 ( -2.043 2.483 -4.433) 5.477 8.770 ( 1.901 1.846 -6.512) 7.030 10.137 ( -1.430 0.202 -0.047) 1.445 10.569 ( -4.444 -7.175 4.156) 9.408 10.745 ( -3.030 -2.770 -1.298) 4.305 11.145 ( 7.532 -3.013 -6.837) 10.609 11.398 ( 3.655 0.436 10.689) 11.305 11.797 ( -1.006 -0.424 -1.137) 1.577 11.877 ( -2.695 1.536 -1.100) 3.291 12.205 ( 2.623 2.102 -0.305) 3.375 12.441 ( -2.052 -0.435 3.951) 4.474 12.756 ( -4.027 11.170 3.426) 12.358 13.592 ( 9.614 -7.258 -5.253) 13.142 14.200 ( -2.996 -1.134 -5.841) 6.662 15.753 ( -2.621 11.359 6.808) 13.500 16.204 ( 0.301 0.625 0.928) 1.159 26.584 ( -0.328 -1.439 0.523) 1.566 26.644 ( 0.272 -0.884 0.325) 0.980 26.755 ( -0.338 2.640 -0.069) 2.662 26.830 ( 0.129 2.521 -0.399) 2.556 ======================= Grid point 182 (81/251) ======================= q-point: (-0.30 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -22.883 -0.000 -0.105) 22.883 1.196 ( -23.485 -0.000 2.962) 23.671 2.492 ( 8.465 0.000 7.603) 11.378 2.508 ( -44.456 -0.000 -8.633) 45.287 3.150 ( 14.538 0.000 -6.577) 15.956 3.511 ( 2.559 0.000 -10.772) 11.072 3.618 ( 6.480 0.000 8.347) 10.567 4.241 ( -6.299 -0.000 -7.780) 10.011 4.455 ( -1.284 -0.000 -8.314) 8.412 4.706 ( 11.316 0.000 7.422) 13.533 5.284 ( -0.368 -0.000 2.395) 2.423 5.540 ( -4.974 -0.000 0.191) 4.978 5.622 ( -5.213 -0.000 -4.645) 6.982 5.679 ( 13.072 0.000 4.748) 13.908 5.960 ( 6.179 0.000 0.449) 6.195 6.288 ( 3.140 0.000 -4.133) 5.190 6.760 ( 5.173 0.000 12.039) 13.104 6.904 ( 4.835 0.000 15.617) 16.348 7.491 ( -9.076 -0.000 -5.819) 10.781 7.631 ( -4.550 -0.000 7.748) 8.985 7.978 ( 3.526 0.000 -0.731) 3.601 8.359 ( -2.746 -0.000 -5.943) 6.547 8.407 ( 2.091 0.000 3.604) 4.166 8.685 ( 1.328 0.000 -8.709) 8.810 10.211 ( -5.435 -0.000 0.722) 5.483 10.514 ( -2.027 -0.000 0.831) 2.191 10.761 ( 0.452 0.000 -2.012) 2.062 10.990 ( 7.036 0.000 -16.201) 17.663 11.311 ( 2.728 0.000 13.307) 13.584 11.750 ( -0.388 -0.000 -8.772) 8.780 12.110 ( -2.811 -0.000 4.700) 5.476 12.170 ( -5.685 -0.000 -1.866) 5.983 12.319 ( 2.977 0.000 2.890) 4.149 12.734 ( 5.470 0.000 -0.440) 5.487 13.531 ( -5.923 -0.000 4.298) 7.318 14.198 ( -8.359 -0.000 -0.914) 8.409 16.120 ( 4.144 0.000 -2.429) 4.804 16.355 ( 7.800 0.000 18.462) 20.042 26.576 ( 0.299 0.000 1.583) 1.611 26.587 ( 0.747 0.000 0.919) 1.184 26.847 ( -0.734 -0.000 -0.550) 0.917 26.913 ( 0.220 0.000 -0.347) 0.411 ======================= Grid point 183 (82/251) ======================= q-point: (-0.20 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -19.798 -11.334 -3.810) 23.129 1.220 ( -24.176 -15.034 1.271) 28.498 2.281 ( -40.392 -18.088 -0.685) 44.262 2.642 ( 7.623 -6.005 4.808) 10.830 3.305 ( 11.581 -5.687 -5.214) 13.916 3.516 ( 7.130 -1.490 -9.439) 11.923 3.763 ( 7.139 -5.905 7.705) 12.050 4.107 ( -5.184 4.554 -7.684) 10.327 4.433 ( -3.702 -0.949 -7.779) 8.667 4.828 ( 9.437 -2.645 3.214) 10.314 5.219 ( -4.012 5.319 0.768) 6.706 5.517 ( -3.832 -1.121 0.591) 4.036 5.605 ( -1.681 -2.816 -3.669) 4.921 5.803 ( 8.607 -1.568 4.468) 9.824 6.005 ( 3.993 0.032 1.326) 4.207 6.312 ( 4.930 -0.996 -3.487) 6.120 6.765 ( 3.583 8.899 12.139) 15.472 6.965 ( 0.596 1.884 17.289) 17.402 7.405 ( -4.903 -1.048 -7.046) 8.648 7.619 ( -6.886 0.654 5.604) 8.902 8.028 ( 4.611 -1.784 -0.231) 4.949 8.305 ( 0.290 2.524 -2.762) 3.752 8.368 ( -0.271 5.036 0.230) 5.048 8.723 ( 2.259 -5.092 -9.930) 11.385 10.199 ( -3.829 -1.263 -1.425) 4.276 10.389 ( -6.084 6.115 1.616) 8.776 10.750 ( -0.238 0.833 -1.886) 2.075 11.019 ( 3.865 -4.649 -17.119) 18.155 11.405 ( 5.340 0.010 17.065) 17.881 11.758 ( 1.983 -2.648 -6.567) 7.353 12.001 ( -3.520 5.121 0.710) 6.254 12.230 ( -0.696 -3.910 0.609) 4.018 12.368 ( 1.345 -2.055 3.969) 4.667 12.843 ( 6.879 -6.274 -2.270) 9.583 13.467 ( -4.434 2.447 3.961) 6.429 14.142 ( -8.105 -1.658 -1.688) 8.443 16.127 ( 5.141 3.104 -1.187) 6.122 16.367 ( 2.663 11.441 19.295) 22.589 26.569 ( -0.159 0.687 1.241) 1.428 26.613 ( 0.802 -1.034 0.943) 1.613 26.829 ( -0.579 1.181 -0.393) 1.373 26.902 ( 0.176 1.205 -0.405) 1.284 ======================= Grid point 184 (83/251) ======================= q-point: (-0.10 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -11.834 -22.508 -7.738) 26.580 1.338 ( -19.837 -18.739 -0.012) 27.288 2.526 ( -23.879 -33.465 4.971) 41.410 2.837 ( 6.924 -7.445 1.991) 10.360 3.409 ( 3.908 -1.477 -4.391) 6.061 3.647 ( 13.244 -5.041 -8.425) 16.486 3.962 ( 6.194 -2.326 0.204) 6.620 3.982 ( -6.715 -3.928 0.003) 7.780 4.370 ( -3.876 1.131 -5.455) 6.786 4.979 ( 9.935 -5.145 -3.527) 11.731 5.093 ( -4.161 4.374 1.098) 6.136 5.507 ( -2.451 0.162 1.087) 2.686 5.642 ( -0.437 -3.013 -3.221) 4.432 5.884 ( 4.999 0.229 3.083) 5.878 6.019 ( -0.730 0.637 2.617) 2.791 6.386 ( 6.756 -2.657 -0.113) 7.261 6.620 ( -3.708 9.171 11.990) 15.544 6.988 ( -0.927 1.299 11.314) 11.426 7.394 ( -3.321 -2.686 -5.244) 6.764 7.550 ( -5.566 1.159 1.172) 5.805 8.064 ( 2.068 1.292 -0.545) 2.499 8.260 ( 3.246 5.085 4.477) 7.513 8.275 ( -0.786 2.915 -4.880) 5.739 8.776 ( 3.521 -1.150 -10.010) 10.674 10.132 ( -3.113 1.579 -1.678) 3.873 10.394 ( -4.671 -7.994 4.185) 10.161 10.717 ( -1.547 1.019 -2.176) 2.858 11.089 ( 4.263 -4.949 -10.870) 12.682 11.482 ( 2.676 0.852 14.359) 14.631 11.790 ( 2.564 -0.059 -2.969) 3.923 11.904 ( -1.344 3.518 -1.006) 3.899 12.260 ( 2.657 1.120 -0.271) 2.896 12.427 ( 0.008 -1.693 4.745) 5.038 12.899 ( -1.917 5.736 1.825) 6.317 13.518 ( 8.273 -7.066 -2.666) 11.202 14.124 ( -3.153 -2.811 -4.709) 6.326 15.997 ( -3.846 15.630 9.963) 18.931 16.237 ( -1.359 3.403 4.370) 5.703 26.565 ( -0.669 -0.379 0.793) 1.104 26.634 ( 0.318 -0.629 0.283) 0.760 26.795 ( -0.346 2.051 -0.066) 2.081 26.872 ( 0.208 2.104 -0.344) 2.143 ======================= Grid point 193 (84/251) ======================= q-point: (-0.20 -0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -25.188 -0.000 -0.254) 25.189 0.842 ( -24.893 -0.000 7.668) 26.047 1.711 ( -51.094 -0.000 1.519) 51.117 2.676 ( 7.251 0.000 8.263) 10.993 3.340 ( 13.257 0.000 -4.343) 13.951 3.530 ( 8.199 0.000 -8.619) 11.896 3.805 ( 9.592 0.000 7.502) 12.177 4.070 ( -7.903 -0.000 -8.394) 11.529 4.351 ( -3.585 -0.000 -10.427) 11.026 4.882 ( 5.973 0.000 2.172) 6.355 5.258 ( -3.872 -0.000 -1.099) 4.025 5.474 ( -4.128 -0.000 2.928) 5.061 5.538 ( -1.298 -0.000 -4.233) 4.427 5.871 ( 7.403 0.000 3.355) 8.128 6.036 ( 2.379 0.000 1.240) 2.682 6.324 ( 5.080 0.000 -4.579) 6.839 6.935 ( 6.760 0.000 11.576) 13.406 7.153 ( 10.819 0.000 22.733) 25.176 7.286 ( -10.317 -0.000 -8.397) 13.302 7.622 ( -4.181 -0.000 14.946) 15.519 8.029 ( 3.650 0.000 -1.853) 4.094 8.303 ( 0.670 0.000 -5.615) 5.655 8.462 ( 1.103 0.000 4.443) 4.578 8.584 ( -4.239 -0.000 -18.853) 19.324 10.148 ( -2.928 -0.000 -0.549) 2.979 10.475 ( -2.644 -0.000 -0.795) 2.761 10.760 ( 0.579 0.000 -0.802) 0.989 10.839 ( -6.717 -0.000 -28.695) 29.471 11.553 ( 11.066 0.000 24.448) 26.835 11.700 ( 1.867 0.000 -8.916) 9.110 12.083 ( -4.381 -0.000 0.696) 4.436 12.093 ( -4.052 -0.000 6.232) 7.434 12.393 ( 3.832 0.000 2.494) 4.573 12.809 ( 5.481 0.000 -3.274) 6.384 13.470 ( -6.193 -0.000 7.569) 9.779 14.050 ( -9.171 -0.000 -0.564) 9.188 16.178 ( 4.920 0.000 -2.304) 5.432 16.677 ( 13.900 0.000 27.624) 30.924 26.594 ( 0.574 0.000 1.843) 1.930 26.603 ( 0.482 0.000 0.574) 0.750 26.834 ( -0.499 -0.000 -0.292) 0.578 26.914 ( 0.218 0.000 -0.428) 0.480 ======================= Grid point 194 (85/251) ======================= q-point: (-0.10 -0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -18.172 -16.507 -2.008) 24.632 0.865 ( -21.869 -15.654 5.531) 27.457 1.674 ( -37.155 -33.527 11.408) 51.330 2.802 ( 6.265 -4.920 6.103) 10.035 3.434 ( 9.004 -0.675 -3.694) 9.755 3.622 ( 11.522 -4.809 -5.387) 13.597 3.900 ( -1.156 0.110 -0.269) 1.192 3.987 ( 2.456 -0.528 -2.256) 3.377 4.307 ( -4.295 -1.696 -9.074) 10.181 4.947 ( 4.198 -3.424 -2.782) 6.090 5.145 ( -5.466 4.923 0.985) 7.421 5.478 ( -2.523 -1.289 3.230) 4.296 5.566 ( 0.009 -3.840 -3.527) 5.214 5.928 ( 4.178 -0.085 2.150) 4.700 6.044 ( 0.032 0.949 0.887) 1.299 6.376 ( 5.651 -2.753 -3.078) 6.999 6.896 ( -0.384 19.177 11.666) 22.450 7.049 ( -2.168 2.212 12.533) 12.910 7.322 ( -1.699 -0.417 0.421) 1.799 7.540 ( -8.386 4.547 4.842) 10.698 8.101 ( 4.109 -0.279 0.808) 4.197 8.288 ( 1.937 1.068 -4.684) 5.179 8.392 ( 1.429 4.011 1.939) 4.679 8.671 ( 3.198 -10.784 -14.982) 18.734 10.126 ( -3.876 1.264 -4.178) 5.837 10.293 ( -7.556 2.451 3.113) 8.531 10.715 ( -1.441 0.524 -6.520) 6.698 10.923 ( -0.364 -11.973 -14.874) 19.097 11.588 ( 2.315 4.530 12.041) 13.072 11.816 ( 8.382 -1.236 1.764) 8.654 11.963 ( -1.402 4.027 0.871) 4.352 12.245 ( 2.349 -6.600 3.305) 7.746 12.431 ( 2.813 -0.401 3.317) 4.367 12.918 ( 4.730 -4.660 -3.827) 7.664 13.473 ( 2.762 -2.955 7.083) 8.157 14.019 ( -4.607 -3.902 -2.363) 6.484 16.197 ( 4.605 2.126 -1.470) 5.280 16.516 ( -6.241 30.117 23.307) 38.591 26.570 ( -0.985 1.435 1.054) 2.035 26.627 ( 0.379 -0.638 0.052) 0.743 26.820 ( -0.268 1.060 0.018) 1.094 26.903 ( 0.276 1.191 -0.248) 1.247 ======================= Grid point 204 (86/251) ======================= q-point: (-0.10 -0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -17.137 -0.000 14.518) 22.460 0.568 ( -19.023 -0.000 19.759) 27.428 1.004 ( -44.434 -0.000 21.300) 49.276 2.811 ( 2.155 0.000 8.249) 8.526 3.498 ( 8.871 0.000 -0.836) 8.910 3.648 ( 12.425 0.000 -5.409) 13.551 3.895 ( -6.413 -0.000 -8.065) 10.304 3.986 ( 5.510 0.000 2.219) 5.940 4.231 ( -0.901 -0.000 -6.189) 6.254 4.915 ( 0.223 0.000 -5.278) 5.283 5.140 ( -9.210 -0.000 -0.862) 9.251 5.460 ( -2.112 -0.000 6.215) 6.564 5.518 ( 1.431 0.000 -2.703) 3.058 5.960 ( 2.393 0.000 1.003) 2.595 6.048 ( -1.264 -0.000 -0.103) 1.268 6.376 ( 4.802 0.000 -3.738) 6.085 7.059 ( -11.045 -0.000 -4.736) 12.018 7.133 ( 9.078 0.000 6.131) 10.954 7.405 ( 4.577 0.000 0.409) 4.595 7.951 ( 20.399 0.000 29.420) 35.800 8.063 ( 2.579 0.000 -2.666) 3.709 8.166 ( -19.514 -0.000 -22.999) 30.163 8.310 ( 1.501 0.000 -5.065) 5.283 8.494 ( -0.961 -0.000 3.921) 4.037 10.091 ( -3.570 -0.000 -5.357) 6.438 10.391 ( -24.739 -0.000 -17.745) 30.445 10.430 ( -1.585 -0.000 -2.110) 2.639 10.767 ( 0.472 0.000 0.243) 0.531 11.691 ( 4.298 0.000 -7.893) 8.987 11.951 ( 12.088 0.000 8.514) 14.786 12.070 ( -4.584 -0.000 7.137) 8.482 12.110 ( 11.545 0.000 16.743) 20.338 12.462 ( 2.503 0.000 1.980) 3.192 12.859 ( 4.783 0.000 -6.063) 7.722 13.524 ( 7.311 0.000 20.383) 21.655 13.923 ( -6.034 -0.000 0.071) 6.034 16.237 ( 3.972 0.000 -1.401) 4.212 17.076 ( 8.490 0.000 0.306) 8.495 26.604 ( -1.117 -0.000 -1.323) 1.732 26.608 ( -0.032 -0.000 -0.112) 0.117 26.829 ( -0.047 -0.000 0.283) 0.287 26.916 ( 0.361 0.000 -0.009) 0.361 ======================= Grid point 205 (87/251) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -4.000 -0.000 27.545) 27.834 1.165 ( 0.856 0.000 28.222) 28.235 1.682 ( 12.731 0.000 37.494) 39.596 3.047 ( -9.185 -0.000 12.005) 15.115 3.572 ( -3.743 -0.000 -7.435) 8.324 3.574 ( 1.538 0.000 -13.877) 13.962 3.713 ( -3.479 -0.000 -4.104) 5.380 3.726 ( 15.914 0.000 -5.727) 16.913 4.319 ( 5.914 0.000 -1.166) 6.028 4.780 ( -0.377 -0.000 -0.187) 0.420 5.086 ( -4.310 -0.000 -0.478) 4.337 5.248 ( 2.166 0.000 -17.199) 17.335 5.672 ( -5.458 -0.000 6.504) 8.490 5.954 ( -1.252 -0.000 -1.395) 1.875 5.961 ( -2.875 -0.000 -0.374) 2.899 6.335 ( 4.890 0.000 -4.968) 6.971 6.833 ( -8.249 -0.000 3.669) 9.028 7.106 ( -31.384 -0.000 2.338) 31.471 7.389 ( 2.088 0.000 -1.737) 2.716 7.443 ( 7.324 0.000 3.391) 8.071 8.000 ( 1.679 0.000 -3.962) 4.303 8.268 ( 7.252 0.000 -4.436) 8.501 8.532 ( -5.391 -0.000 2.311) 5.865 8.752 ( 15.562 0.000 -5.454) 16.490 10.049 ( 5.954 0.000 1.715) 6.196 10.253 ( -5.239 -0.000 6.241) 8.148 10.332 ( 0.579 0.000 -3.913) 3.956 10.784 ( 0.766 0.000 -0.453) 0.890 11.646 ( 7.025 0.000 -1.586) 7.201 12.047 ( 0.657 0.000 2.115) 2.215 12.167 ( -4.293 -0.000 4.535) 6.245 12.414 ( 0.304 0.000 -0.372) 0.480 12.524 ( -1.735 -0.000 1.851) 2.537 12.673 ( 4.382 0.000 -10.595) 11.466 13.905 ( 0.149 0.000 2.040) 2.046 14.149 ( 19.165 0.000 1.017) 19.192 16.150 ( -47.731 -0.000 0.343) 47.732 16.273 ( 3.835 0.000 -0.545) 3.873 26.531 ( -1.409 -0.000 -0.106) 1.413 26.581 ( -0.726 -0.000 -1.051) 1.278 26.857 ( 0.510 0.000 1.196) 1.300 26.922 ( -0.214 -0.000 0.074) 0.227 ======================= Grid point 206 (88/251) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 1.958 3.160 27.023) 27.277 1.423 ( 7.270 -10.169 24.334) 27.357 2.238 ( 15.271 -27.209 28.236) 42.081 3.017 ( -11.004 -2.310 7.034) 13.262 3.417 ( -2.089 4.581 -10.870) 11.979 3.533 ( -2.462 -0.467 -6.407) 6.880 3.791 ( 6.728 -1.625 -4.171) 8.081 3.885 ( 5.133 -11.136 -7.297) 14.269 4.347 ( 5.124 1.384 -0.739) 5.359 4.802 ( 1.824 -1.474 -1.206) 2.637 5.033 ( -3.606 2.193 -2.399) 4.855 5.207 ( 2.382 -0.065 -15.871) 16.049 5.666 ( -7.239 -3.109 5.097) 9.383 5.886 ( -4.058 2.269 -0.929) 4.741 5.990 ( -0.150 -2.205 -0.586) 2.287 6.385 ( 1.954 -3.221 -3.861) 5.395 6.717 ( -11.330 5.196 7.691) 14.646 6.949 ( -17.406 -3.847 5.594) 18.684 7.401 ( 3.858 0.277 -1.037) 4.004 7.510 ( 7.216 0.298 1.916) 7.472 8.002 ( 0.453 -0.062 -4.606) 4.629 8.286 ( 7.599 3.217 -4.336) 9.322 8.463 ( -6.068 2.938 2.166) 7.081 8.785 ( 8.541 3.552 -6.015) 11.034 10.099 ( 4.570 -0.266 0.920) 4.669 10.282 ( -3.651 -4.359 5.471) 7.891 10.429 ( 4.989 -7.341 -5.225) 10.300 10.832 ( 1.097 -4.969 -1.384) 5.274 11.705 ( 6.527 -0.788 0.282) 6.580 12.033 ( -1.000 3.317 2.699) 4.392 12.095 ( -3.007 3.934 4.023) 6.380 12.399 ( -1.766 0.077 -1.598) 2.383 12.457 ( -4.817 3.881 1.473) 6.359 12.765 ( 1.618 -7.238 -8.207) 11.061 13.905 ( 3.304 2.357 2.411) 4.721 14.225 ( 14.042 6.085 -4.817) 16.044 15.724 ( -36.698 7.202 11.323) 39.075 16.289 ( 2.171 0.907 -0.124) 2.356 26.528 ( -0.396 -0.513 0.193) 0.676 26.579 ( -0.643 -0.690 -1.144) 1.482 26.853 ( 0.450 1.283 1.166) 1.791 26.909 ( -0.276 1.158 0.016) 1.191 ======================= Grid point 207 (89/251) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 8.563 -9.550 15.705) 20.277 1.781 ( 9.868 -12.951 19.651) 25.520 2.865 ( 5.592 -17.536 0.785) 18.423 3.045 ( -8.015 -11.629 10.011) 17.312 3.371 ( 5.172 -1.408 -4.208) 6.815 3.520 ( -0.774 -1.782 -2.418) 3.101 3.805 ( 8.365 4.070 -7.762) 12.116 4.121 ( 1.059 -13.893 -9.467) 16.845 4.357 ( 0.236 -1.144 2.989) 3.209 4.827 ( 5.235 0.610 -6.444) 8.325 4.946 ( -4.260 2.339 -3.165) 5.799 5.199 ( 2.133 -1.579 -6.880) 7.374 5.699 ( -6.681 -4.529 3.352) 8.740 5.823 ( -4.641 0.237 0.595) 4.685 6.024 ( 1.215 -1.456 -0.504) 1.962 6.417 ( -3.123 -1.165 -1.863) 3.818 6.611 ( -7.221 0.838 8.688) 11.328 6.945 ( -11.677 -5.108 5.809) 14.007 7.437 ( 5.633 -0.384 -0.583) 5.677 7.556 ( 6.460 1.225 0.791) 6.623 7.968 ( -0.903 1.674 -5.320) 5.649 8.227 ( 3.368 6.463 -4.983) 8.829 8.379 ( -2.349 3.123 2.914) 4.874 8.763 ( 6.005 2.692 -3.932) 7.666 10.142 ( 1.980 -1.249 0.977) 2.536 10.388 ( -3.209 -8.349 4.668) 10.089 10.557 ( 5.416 -3.960 -3.739) 7.681 10.955 ( 1.601 -7.545 -3.291) 8.386 11.778 ( 3.890 -1.921 3.383) 5.501 11.929 ( -1.768 6.683 4.037) 8.006 12.041 ( -3.165 1.951 2.442) 4.448 12.341 ( -4.573 4.806 2.080) 6.952 12.383 ( -3.116 -1.127 -2.082) 3.913 12.829 ( -1.310 -1.254 -3.287) 3.754 13.879 ( 5.595 5.905 2.475) 8.503 14.140 ( 4.335 6.828 -9.781) 12.692 15.475 ( -15.384 2.195 10.773) 18.909 16.274 ( 0.602 1.802 -0.358) 1.933 26.543 ( 0.080 -1.122 0.185) 1.140 26.587 ( -0.393 -1.080 -1.071) 1.571 26.828 ( 0.300 2.291 1.067) 2.545 26.879 ( -0.180 2.011 -0.091) 2.022 ======================= Grid point 208 (90/251) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 11.461 -14.801 5.521) 19.517 2.150 ( 10.203 -12.078 15.052) 21.830 2.929 ( -6.668 -2.766 -10.841) 13.025 3.205 ( -5.354 -1.666 -9.665) 11.173 3.469 ( 8.839 -1.757 0.531) 9.028 3.627 ( 3.120 -4.073 7.518) 9.102 3.767 ( 5.110 0.220 -11.201) 12.313 4.260 ( 2.953 -5.869 -13.609) 15.111 4.514 ( -0.370 -14.258 5.629) 15.333 4.838 ( 6.438 0.695 -3.969) 7.595 4.879 ( -3.577 0.651 -0.850) 3.734 5.231 ( 2.120 -1.178 -1.157) 2.687 5.715 ( -6.134 -1.847 -0.443) 6.421 5.828 ( -4.834 -3.367 5.579) 8.114 6.073 ( 3.119 -2.708 0.683) 4.187 6.367 ( -5.203 2.104 -0.178) 5.615 6.611 ( -4.834 -2.053 8.917) 10.349 6.963 ( -10.576 -4.116 5.562) 12.638 7.499 ( 6.042 -1.502 -0.202) 6.229 7.573 ( 5.963 2.323 -0.406) 6.412 7.897 ( -1.201 2.854 -6.265) 6.988 8.110 ( -1.242 4.560 -4.922) 6.823 8.324 ( 0.600 3.851 3.760) 5.416 8.759 ( 4.902 1.715 -2.074) 5.592 10.177 ( 0.680 -0.935 1.381) 1.801 10.538 ( -2.442 -8.144 4.620) 9.676 10.656 ( 5.298 -4.537 -2.523) 7.417 11.070 ( -0.005 -5.167 -3.314) 6.138 11.820 ( -0.271 5.419 4.172) 6.845 11.835 ( -4.905 -1.076 5.203) 7.231 11.987 ( -1.400 1.401 2.303) 3.037 12.254 ( -1.993 2.110 2.261) 3.679 12.384 ( -2.674 -2.403 -1.987) 4.108 12.757 ( -2.329 7.683 3.455) 8.740 13.787 ( 3.281 7.707 -2.058) 8.625 14.051 ( 3.465 1.901 -12.203) 12.827 15.430 ( -3.058 -0.622 7.003) 7.667 16.237 ( -0.530 1.932 -0.923) 2.206 26.569 ( 0.147 -1.643 0.101) 1.653 26.604 ( -0.099 -1.422 -0.819) 1.644 26.787 ( 0.155 2.761 0.968) 2.930 26.836 ( -0.151 2.493 -0.216) 2.507 ======================= Grid point 209 (91/251) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 10.404 -12.610 -0.674) 16.362 2.445 ( 8.241 -6.359 9.666) 14.205 2.846 ( -6.123 2.881 -5.481) 8.708 3.031 ( 0.303 9.654 -18.580) 20.940 3.542 ( -4.631 -0.828 -0.886) 4.787 3.647 ( 6.561 1.766 -1.533) 6.965 3.841 ( 5.842 -6.978 -8.975) 12.782 4.332 ( 7.966 -2.581 -19.014) 20.776 4.772 ( -0.588 -8.336 1.891) 8.568 4.853 ( 3.998 2.075 5.668) 7.240 4.884 ( -6.100 -5.439 0.802) 8.212 5.280 ( 2.807 -2.369 2.115) 4.238 5.661 ( -5.537 1.726 -1.800) 6.073 5.879 ( -3.301 -3.027 7.652) 8.867 6.182 ( 2.827 -5.149 2.550) 6.403 6.281 ( -1.716 3.192 0.759) 3.703 6.657 ( -3.912 -2.841 10.796) 11.829 6.958 ( -10.106 -2.457 5.184) 11.621 7.552 ( 0.188 0.023 0.124) 0.226 7.587 ( 9.895 1.564 -1.243) 10.095 7.825 ( -0.085 1.360 -7.077) 7.207 8.032 ( -3.158 -0.054 -5.246) 6.123 8.270 ( 0.187 4.231 5.404) 6.866 8.753 ( 3.275 2.210 -1.455) 4.210 10.195 ( 0.333 -0.030 2.178) 2.203 10.645 ( -2.169 -4.122 4.262) 6.314 10.793 ( 5.723 -5.864 -2.914) 8.696 11.110 ( -2.318 -1.556 -1.265) 3.065 11.753 ( -4.005 1.192 -0.768) 4.248 11.760 ( -4.558 5.134 7.405) 10.098 12.010 ( 0.279 -1.168 4.525) 4.682 12.265 ( -1.118 -4.037 2.476) 4.866 12.414 ( -1.662 -3.108 -1.243) 3.737 12.561 ( -2.298 13.050 7.682) 15.317 13.680 ( 1.471 3.982 -7.191) 8.351 14.023 ( 5.468 0.953 -12.507) 13.683 15.471 ( 0.946 -2.276 5.035) 5.606 16.198 ( -0.885 1.159 -1.419) 2.035 26.603 ( 0.036 -1.981 -0.056) 1.982 26.630 ( 0.218 -1.549 -0.459) 1.630 26.741 ( -0.111 2.658 0.822) 2.785 26.790 ( -0.085 2.183 -0.267) 2.201 ======================= Grid point 210 (92/251) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 1.658 4.726 -6.555) 8.249 2.456 ( -2.038 11.144 4.341) 12.132 2.756 ( 2.785 0.675 -9.056) 9.498 2.926 ( 10.157 -1.425 -6.138) 11.953 3.453 ( -8.545 -0.242 -5.012) 9.909 3.697 ( 8.065 -0.352 -10.168) 12.983 4.000 ( 7.499 -4.951 -1.630) 9.133 4.348 ( 7.622 0.244 -17.302) 18.908 4.723 ( -2.374 7.259 -2.160) 7.937 4.871 ( -4.066 4.883 8.325) 10.473 4.939 ( -6.617 -6.093 1.028) 9.053 5.344 ( 0.618 -2.688 0.363) 2.782 5.635 ( 1.877 -2.264 -1.041) 3.120 5.917 ( -1.680 0.021 7.408) 7.597 6.183 ( -5.014 1.574 2.689) 5.903 6.364 ( 9.027 -4.358 3.444) 10.599 6.710 ( -3.974 -1.705 11.926) 12.686 6.942 ( -8.770 -2.872 4.491) 10.263 7.540 ( -1.152 0.370 0.101) 1.214 7.604 ( 6.944 4.339 -0.964) 8.244 7.817 ( 0.543 -2.964 -7.259) 7.859 8.030 ( -2.265 -4.052 -5.791) 7.422 8.221 ( -0.350 3.105 6.964) 7.633 8.716 ( 1.420 3.244 -2.144) 4.140 10.200 ( 0.314 0.696 2.863) 2.963 10.688 ( -2.214 -1.206 3.207) 4.079 10.865 ( 0.521 1.074 -3.393) 3.597 11.133 ( 2.457 -2.536 0.098) 3.533 11.654 ( -5.503 3.447 6.684) 9.319 11.731 ( 0.535 0.314 -0.518) 0.808 12.020 ( -0.839 2.079 4.015) 4.599 12.311 ( 0.374 9.388 0.097) 9.396 12.389 ( -4.515 -7.209 7.398) 11.273 12.495 ( -1.795 -4.803 4.044) 6.530 13.618 ( 2.341 1.926 -8.202) 8.744 14.007 ( 5.507 0.879 -13.167) 14.299 15.556 ( 0.759 -4.654 4.481) 6.505 16.176 ( -0.569 -0.060 -1.672) 1.767 26.636 ( -0.106 -1.459 -0.295) 1.493 26.650 ( 0.359 0.039 -0.071) 0.368 26.704 ( -0.488 0.808 0.671) 1.158 26.764 ( 0.157 0.389 -0.244) 0.485 ======================= Grid point 211 (93/251) ======================= q-point: (-0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -3.800 19.534 -10.366) 22.438 2.152 ( -6.629 19.103 7.214) 21.469 2.820 ( 7.888 -3.022 -5.956) 10.336 3.070 ( 13.500 -2.973 -3.603) 14.285 3.434 ( -2.229 -4.682 -6.408) 8.243 3.681 ( 3.797 2.681 -13.687) 14.455 4.020 ( -3.832 10.519 5.337) 12.403 4.279 ( 3.888 7.854 -4.958) 10.069 4.601 ( 0.079 -3.121 -14.254) 14.592 4.710 ( -3.153 10.863 9.189) 14.573 5.005 ( -3.326 -5.140 0.958) 6.197 5.424 ( 3.792 -4.417 -2.114) 6.194 5.685 ( 0.718 -0.071 -1.939) 2.069 5.908 ( -1.250 1.078 5.572) 5.812 6.135 ( -2.452 1.826 4.117) 5.128 6.502 ( 7.643 -1.518 3.098) 8.386 6.725 ( -5.335 0.039 11.234) 12.437 6.972 ( -5.632 -5.223 4.473) 8.889 7.506 ( -4.771 2.133 0.865) 5.297 7.562 ( 5.020 3.894 -0.804) 6.404 7.872 ( 0.909 -4.953 -7.158) 8.752 8.077 ( -1.460 -4.103 -5.418) 6.951 8.226 ( 0.919 -1.237 7.493) 7.650 8.651 ( 0.745 3.454 -4.231) 5.512 10.193 ( 0.282 1.602 2.900) 3.325 10.678 ( -2.242 0.955 1.037) 2.648 10.768 ( -3.549 6.151 -0.744) 7.140 11.182 ( 5.231 2.495 -1.868) 6.089 11.627 ( -1.371 -1.494 8.086) 8.337 11.752 ( 1.603 -1.827 0.167) 2.436 11.927 ( -2.078 7.367 2.181) 7.959 12.220 ( 1.654 1.294 1.138) 2.388 12.490 ( -2.394 -3.854 3.791) 5.913 12.635 ( -4.937 -11.091 7.229) 14.130 13.585 ( 4.683 1.890 -7.471) 9.018 13.988 ( 4.141 0.521 -12.775) 13.440 15.682 ( -1.851 -8.147 4.749) 9.610 16.179 ( -0.138 -1.209 -1.643) 2.044 26.622 ( -0.397 1.919 0.251) 1.975 26.648 ( -0.096 0.233 -0.685) 0.730 26.719 ( -0.251 -2.004 0.693) 2.135 26.782 ( 0.435 -1.971 -0.190) 2.028 ======================= Grid point 212 (94/251) ======================= q-point: (-0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -4.811 20.892 -5.297) 22.084 1.765 ( -6.720 20.934 12.220) 25.154 2.878 ( 6.383 3.457 -2.237) 7.596 3.150 ( 9.453 6.230 1.023) 11.368 3.462 ( -0.439 7.826 -3.518) 8.591 3.599 ( -0.089 -0.901 -4.467) 4.557 3.682 ( -6.089 8.817 -4.463) 11.608 4.208 ( 5.920 4.626 -7.238) 10.433 4.492 ( -3.061 13.174 12.751) 18.588 4.703 ( 4.113 -7.927 -16.589) 18.840 5.071 ( -2.176 -4.202 0.585) 4.768 5.528 ( 6.515 -2.050 -0.490) 6.847 5.607 ( -5.429 4.058 -3.065) 7.439 5.922 ( 0.293 -1.209 1.703) 2.109 6.097 ( -2.059 2.281 3.916) 4.978 6.535 ( 5.313 4.478 0.682) 6.982 6.730 ( -6.358 -2.535 10.074) 12.179 7.060 ( -2.583 -6.005 5.117) 8.301 7.410 ( -5.468 3.343 1.342) 6.548 7.532 ( 0.189 2.171 -0.278) 2.197 7.958 ( 1.992 -5.673 -5.386) 8.072 8.111 ( 0.451 -2.416 -5.031) 5.600 8.320 ( 0.394 -5.135 6.764) 8.501 8.586 ( 2.599 2.835 -7.394) 8.334 10.162 ( -0.093 2.958 2.318) 3.759 10.609 ( -3.452 8.423 2.512) 9.443 10.633 ( -2.353 1.599 -2.393) 3.717 11.107 ( 2.616 7.387 -2.428) 8.204 11.696 ( -0.458 -0.001 4.324) 4.348 11.799 ( 1.096 -0.407 3.591) 3.777 11.846 ( 2.515 -2.740 1.101) 3.878 12.254 ( 2.175 -2.188 0.853) 3.201 12.527 ( -1.379 -0.783 3.250) 3.616 12.817 ( -4.304 -9.392 5.606) 11.754 13.581 ( 6.960 0.728 -4.423) 8.278 13.969 ( 2.606 0.118 -10.319) 10.644 15.853 ( -6.103 -12.621 5.130) 14.929 16.205 ( -0.595 -2.456 -1.166) 2.783 26.587 ( -0.829 1.409 0.230) 1.651 26.635 ( -0.243 0.660 -0.839) 1.094 26.761 ( -0.092 -2.392 0.687) 2.490 26.828 ( 0.539 -2.560 -0.029) 2.617 ======================= Grid point 213 (95/251) ======================= q-point: (-0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -5.512 14.717 8.522) 17.877 1.410 ( -4.632 18.697 18.703) 26.848 2.558 ( -8.026 33.192 15.201) 37.379 3.061 ( 3.867 4.267 7.287) 9.288 3.393 ( 10.295 -0.303 -5.343) 11.604 3.576 ( -3.635 -1.185 -12.747) 13.308 3.685 ( 4.413 -2.658 -4.345) 6.740 4.105 ( 4.283 8.893 -8.619) 13.104 4.309 ( -0.664 7.910 8.701) 11.778 4.794 ( 2.346 -3.855 -10.528) 11.454 5.118 ( -3.359 -3.100 -0.150) 4.574 5.427 ( -5.209 5.966 -5.371) 9.569 5.636 ( 4.392 -2.015 2.034) 5.243 5.947 ( -0.543 -1.292 -1.103) 1.784 6.047 ( -2.473 2.191 1.897) 3.810 6.454 ( 4.194 7.346 -2.240) 8.751 6.787 ( -8.140 -6.304 7.394) 12.675 7.169 ( -1.517 -5.650 6.083) 8.440 7.337 ( -6.913 -0.546 1.875) 7.183 7.481 ( -2.058 2.430 -0.029) 3.184 8.054 ( 0.990 -3.911 -2.799) 4.910 8.142 ( 3.044 -2.152 -7.098) 8.017 8.433 ( -0.791 -4.783 5.329) 7.204 8.554 ( 7.860 1.738 -7.617) 11.083 10.103 ( -0.688 3.845 1.668) 4.247 10.444 ( -3.528 7.774 4.251) 9.537 10.567 ( -2.428 2.791 -5.063) 6.271 10.965 ( 0.731 8.602 -2.693) 9.043 11.636 ( 2.191 4.109 -1.230) 4.817 11.906 ( -1.667 -7.160 5.568) 9.222 11.960 ( 5.102 -4.090 3.791) 7.559 12.323 ( 2.897 -2.617 0.848) 3.996 12.525 ( -1.947 0.340 2.422) 3.126 12.888 ( 0.968 1.295 -3.676) 4.016 13.672 ( 7.293 -5.004 4.068) 9.736 13.958 ( 2.884 0.251 -6.226) 6.866 16.064 ( -9.251 -15.212 3.044) 18.062 16.253 ( -6.023 -6.330 0.188) 8.739 26.562 ( -1.271 0.566 0.070) 1.393 26.617 ( -0.431 0.626 -1.096) 1.334 26.804 ( 0.141 -1.993 0.850) 2.171 26.876 ( 0.452 -2.181 0.111) 2.230 ======================= Grid point 214 (96/251) ======================= q-point: (-0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -4.066 -3.768 26.297) 26.875 1.188 ( -0.064 11.303 25.235) 27.651 1.937 ( -5.110 34.103 28.677) 44.850 3.063 ( -2.029 0.882 10.072) 10.312 3.502 ( 11.147 -2.942 -4.798) 12.487 3.553 ( -4.728 -5.320 -12.517) 14.399 3.700 ( 7.796 3.976 -3.527) 9.436 3.907 ( -0.532 10.756 -9.378) 14.280 4.274 ( 4.235 0.609 1.932) 4.695 4.803 ( -0.014 0.604 -4.046) 4.091 5.119 ( -6.581 -1.229 1.110) 6.786 5.300 ( -0.874 1.528 -12.960) 13.079 5.683 ( 0.121 0.558 6.196) 6.222 5.950 ( -2.578 -1.322 -2.182) 3.627 6.003 ( -1.019 1.457 -0.220) 1.792 6.359 ( 4.886 5.119 -4.505) 8.389 6.845 ( -9.195 -4.867 3.520) 10.983 7.254 ( -19.456 -7.922 4.134) 21.410 7.339 ( 0.649 -2.538 0.374) 2.646 7.427 ( 0.773 2.558 0.957) 2.839 8.041 ( -1.305 2.404 -5.008) 5.706 8.208 ( 6.243 -2.598 -5.661) 8.819 8.517 ( -1.764 -3.813 3.315) 5.352 8.614 ( 15.524 -0.370 -3.232) 15.861 10.041 ( 0.379 2.854 1.810) 3.401 10.318 ( -5.128 4.209 5.506) 8.621 10.440 ( -1.646 7.095 -6.241) 9.592 10.827 ( 0.570 5.458 -0.932) 5.566 11.612 ( 5.563 1.449 -1.981) 6.081 12.011 ( 1.048 -2.742 2.437) 3.815 12.096 ( -1.114 -6.933 5.954) 9.206 12.386 ( 3.416 -1.081 0.879) 3.689 12.513 ( -2.339 -0.589 1.558) 2.871 12.781 ( 4.306 8.510 -10.213) 13.973 13.855 ( 2.368 -5.634 5.803) 8.428 13.987 ( 12.009 -0.311 -0.169) 12.014 16.215 ( -1.183 -5.481 -1.137) 5.721 16.328 ( -29.078 -14.580 -1.463) 32.562 26.545 ( -1.723 0.011 -0.249) 1.741 26.597 ( -0.651 0.630 -1.192) 1.497 26.839 ( 0.400 -1.172 1.083) 1.645 26.911 ( 0.156 -1.281 0.143) 1.298 ======================= Grid point 216 (97/251) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 1.721 0.000 28.176) 28.229 1.422 ( 6.538 0.000 27.316) 28.087 2.249 ( 26.197 0.000 26.513) 37.272 2.921 ( -14.410 -0.000 8.074) 16.518 3.352 ( -10.549 -0.000 -12.618) 16.447 3.529 ( 3.563 0.000 -11.218) 11.770 3.663 ( -4.421 -0.000 2.523) 5.090 3.922 ( 12.981 0.000 -7.189) 14.839 4.411 ( 7.320 0.000 -2.436) 7.715 4.801 ( 1.416 0.000 1.686) 2.202 5.029 ( -1.272 -0.000 -5.273) 5.424 5.181 ( 5.530 0.000 -17.425) 18.282 5.577 ( -9.335 -0.000 3.763) 10.065 5.870 ( -7.893 -0.000 -1.112) 7.971 5.957 ( 0.870 0.000 1.400) 1.648 6.362 ( 2.364 0.000 -3.983) 4.632 6.740 ( -8.108 -0.000 6.801) 10.583 6.760 ( -17.267 -0.000 6.880) 18.588 7.425 ( 3.186 0.000 0.225) 3.194 7.583 ( 7.815 0.000 1.447) 7.948 8.004 ( 2.434 0.000 -3.721) 4.447 8.367 ( 8.206 0.000 -3.253) 8.827 8.440 ( -7.435 -0.000 1.044) 7.508 8.841 ( 2.912 0.000 -6.549) 7.167 10.138 ( 2.075 0.000 0.539) 2.144 10.315 ( 9.393 0.000 2.717) 9.778 10.329 ( 2.226 0.000 -3.764) 4.373 10.792 ( 0.859 0.000 -0.838) 1.200 11.755 ( 7.070 0.000 0.118) 7.071 12.034 ( -4.891 -0.000 0.548) 4.922 12.131 ( -3.626 -0.000 3.501) 5.041 12.372 ( -2.334 -0.000 -1.166) 2.609 12.480 ( -4.927 -0.000 1.422) 5.128 12.661 ( 1.483 0.000 -7.169) 7.321 13.962 ( 5.038 0.000 1.629) 5.295 14.360 ( 5.499 0.000 -3.513) 6.526 15.550 ( -29.021 -0.000 13.384) 31.958 16.311 ( 0.656 0.000 0.923) 1.132 26.523 ( 0.108 0.000 0.268) 0.289 26.563 ( -0.619 -0.000 -0.947) 1.131 26.873 ( 0.422 0.000 1.150) 1.225 26.917 ( -0.398 -0.000 -0.035) 0.399 ======================= Grid point 217 (98/251) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 6.485 2.118 24.602) 25.530 1.729 ( 10.125 -11.383 23.180) 27.738 2.659 ( 14.833 -13.077 8.225) 21.417 2.857 ( -12.592 -4.072 6.897) 14.923 3.305 ( -2.203 -6.174 -5.065) 8.284 3.478 ( 2.165 1.067 -5.405) 5.919 3.789 ( -2.275 -11.596 0.325) 11.822 3.961 ( 8.454 1.705 -10.000) 13.205 4.422 ( 4.285 3.687 -0.637) 5.689 4.816 ( 0.409 -0.843 -2.454) 2.627 4.963 ( 0.131 3.190 -9.635) 10.150 5.198 ( 7.067 -1.279 -7.352) 10.278 5.565 ( -7.143 -4.419 2.795) 8.852 5.785 ( -8.343 0.780 -0.119) 8.380 5.997 ( 0.770 -2.297 0.085) 2.424 6.374 ( 0.014 -1.013 -3.246) 3.401 6.614 ( -8.187 2.857 7.989) 11.790 6.777 ( -10.542 -5.255 6.046) 13.240 7.461 ( 3.967 -0.689 1.204) 4.203 7.637 ( 6.741 0.928 0.947) 6.871 7.992 ( 1.832 2.220 -3.752) 4.729 8.328 ( -3.482 5.148 -1.682) 6.439 8.421 ( 4.177 0.774 -0.977) 4.359 8.817 ( 1.212 1.326 -4.659) 4.993 10.167 ( 3.694 -0.399 -0.036) 3.716 10.289 ( 0.817 -0.810 2.929) 3.147 10.508 ( 8.226 -6.039 -3.832) 10.900 10.841 ( 1.281 -4.985 -1.771) 5.443 11.808 ( 4.961 0.094 1.649) 5.229 11.978 ( -8.336 0.220 -0.919) 8.389 12.064 ( -2.954 4.630 3.310) 6.413 12.354 ( -1.259 0.794 0.549) 1.587 12.397 ( -4.405 3.636 1.033) 5.804 12.722 ( -0.829 -6.333 -5.915) 8.705 13.999 ( 6.623 1.697 1.360) 6.971 14.268 ( -6.344 7.963 -0.594) 10.199 15.432 ( -8.618 0.385 9.365) 12.733 16.302 ( -1.069 1.225 1.108) 1.967 26.531 ( 0.393 -0.510 0.270) 0.698 26.563 ( -0.433 -0.749 -0.869) 1.226 26.867 ( 0.274 1.360 1.040) 1.734 26.904 ( -0.301 1.055 -0.124) 1.104 ======================= Grid point 218 (99/251) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 9.925 -7.960 14.743) 19.474 2.100 ( 13.255 -11.252 18.694) 25.530 2.762 ( -6.428 -4.545 -11.280) 13.756 3.004 ( -7.357 -10.333 -1.096) 12.732 3.480 ( 8.778 -4.991 -3.739) 10.768 3.555 ( 3.757 -9.142 6.499) 11.829 3.852 ( 4.239 6.283 -6.799) 10.182 4.046 ( -2.452 -12.092 -7.910) 14.656 4.387 ( 0.567 -1.011 4.777) 4.915 4.833 ( -1.509 -1.814 -3.613) 4.315 4.892 ( 7.315 2.028 -13.362) 15.367 5.261 ( 4.975 -0.338 2.294) 5.489 5.616 ( -3.491 -4.429 0.767) 5.691 5.742 ( -6.878 -2.728 3.302) 8.103 6.043 ( 0.932 -2.405 -0.417) 2.612 6.360 ( -2.480 0.526 -1.908) 3.173 6.574 ( -4.811 -0.692 8.232) 9.560 6.808 ( -10.379 -5.121 5.420) 12.780 7.516 ( 4.091 -1.091 1.823) 4.610 7.664 ( 5.950 1.668 0.276) 6.185 7.929 ( 0.247 3.845 -4.403) 5.851 8.180 ( -4.231 6.533 -2.616) 8.212 8.419 ( 4.746 3.274 -0.348) 5.776 8.801 ( 1.894 0.464 -2.863) 3.463 10.193 ( 3.980 0.577 0.190) 4.026 10.391 ( -0.267 -7.784 4.700) 9.097 10.625 ( 5.695 -3.046 -2.608) 6.965 10.956 ( 0.994 -6.614 -3.121) 7.381 11.804 ( -8.035 1.307 2.619) 8.552 11.908 ( -1.591 2.481 1.365) 3.248 11.987 ( -2.077 1.491 1.869) 3.167 12.294 ( -3.150 3.127 2.562) 5.125 12.351 ( 0.378 0.537 -1.032) 1.223 12.783 ( -1.823 -2.531 -2.823) 4.207 13.955 ( -3.063 9.838 3.923) 11.026 14.090 ( 1.797 3.058 -5.635) 6.658 15.439 ( 2.289 -0.166 4.947) 5.453 16.261 ( -2.272 1.979 0.503) 3.054 26.549 ( 0.401 -0.988 0.256) 1.096 26.576 ( -0.168 -1.243 -0.721) 1.447 26.838 ( 0.140 2.351 0.914) 2.526 26.874 ( -0.245 1.966 -0.265) 1.999 ======================= Grid point 219 (100/251) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 10.564 -12.202 5.792) 17.148 2.446 ( 14.119 -8.238 14.143) 21.616 2.756 ( -5.208 -3.769 -11.338) 13.034 3.035 ( -5.336 -2.024 -12.870) 14.078 3.537 ( -3.986 4.113 2.795) 6.373 3.711 ( 1.909 -5.606 -12.726) 14.036 3.760 ( 7.913 2.879 1.456) 8.546 4.174 ( -2.680 -10.635 -12.463) 16.602 4.575 ( 1.378 -11.613 5.299) 12.839 4.817 ( 2.531 -0.479 -6.604) 7.089 4.929 ( 6.610 -0.311 -1.087) 6.706 5.291 ( 1.217 0.235 3.305) 3.530 5.650 ( 0.211 -0.237 -0.696) 0.765 5.797 ( -3.968 -5.599 7.166) 9.922 6.107 ( -0.324 -4.292 1.136) 4.452 6.315 ( -1.781 1.262 -0.285) 2.201 6.607 ( -3.226 -2.854 9.221) 10.177 6.828 ( -10.682 -4.224 5.177) 12.600 7.560 ( 1.393 -0.099 1.725) 2.220 7.686 ( 7.254 1.420 0.052) 7.392 7.845 ( 0.217 3.135 -5.535) 6.365 8.027 ( -4.218 5.090 -3.871) 7.660 8.379 ( 3.092 4.692 1.650) 5.856 8.799 ( 1.958 0.899 -2.219) 3.093 10.215 ( 2.710 0.400 1.534) 3.140 10.551 ( 0.132 -7.132 4.591) 8.482 10.725 ( 5.034 -4.886 -1.784) 7.239 11.040 ( -1.629 -3.748 -2.144) 4.614 11.688 ( -13.522 0.995 0.777) 13.581 11.853 ( -0.701 3.718 4.602) 5.958 12.000 ( 0.398 -1.532 2.477) 2.939 12.245 ( -1.441 0.914 1.056) 2.007 12.357 ( 0.902 -1.204 -0.781) 1.695 12.745 ( -1.820 5.510 2.908) 6.491 13.733 ( -6.886 7.559 -2.643) 10.561 14.084 ( 8.874 2.253 -7.347) 11.739 15.485 ( 4.361 -0.127 3.672) 5.703 16.207 ( -2.387 1.679 -0.470) 2.956 26.574 ( 0.263 -1.425 0.173) 1.459 26.600 ( 0.143 -1.644 -0.428) 1.705 26.794 ( -0.046 2.885 0.727) 2.976 26.831 ( -0.202 2.423 -0.340) 2.455 ======================= Grid point 220 (101/251) ======================= q-point: ( 0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 6.774 -6.978 -0.804) 9.758 2.631 ( 5.378 4.654 3.570) 7.957 2.750 ( 2.686 -1.899 -6.700) 7.464 2.960 ( 4.767 0.763 -11.195) 12.191 3.375 ( -12.827 3.239 -0.626) 13.245 3.692 ( 2.304 -1.138 -12.729) 12.986 3.938 ( 10.477 -6.911 0.456) 12.559 4.287 ( 1.851 -7.002 -18.241) 19.627 4.691 ( -7.390 -4.794 -1.892) 9.010 4.858 ( 2.930 0.559 -1.121) 3.186 4.968 ( 3.601 2.213 7.290) 8.427 5.315 ( 0.477 -1.556 1.070) 1.948 5.643 ( 3.673 1.031 0.343) 3.830 5.896 ( -1.770 -3.999 7.557) 8.731 6.152 ( -5.236 -1.457 3.074) 6.244 6.348 ( 4.036 -4.489 1.536) 6.229 6.675 ( -2.702 -3.013 10.922) 11.647 6.829 ( -9.795 -3.319 4.676) 11.350 7.551 ( -1.370 1.304 1.667) 2.521 7.713 ( 5.541 1.975 -1.246) 6.013 7.799 ( 3.251 2.061 -5.388) 6.622 7.934 ( -3.618 -1.112 -4.809) 6.120 8.316 ( 0.996 4.905 3.944) 6.372 8.773 ( 0.879 2.518 -2.373) 3.570 10.228 ( 1.391 0.732 2.622) 3.057 10.655 ( 0.147 -2.854 3.427) 4.462 10.848 ( 2.958 -3.577 -2.387) 5.219 11.072 ( -1.641 -3.791 0.153) 4.134 11.596 ( -11.052 -1.443 1.674) 11.271 11.802 ( 0.708 3.435 3.265) 4.791 12.034 ( -1.130 -0.955 4.159) 4.414 12.252 ( -1.708 -3.097 -0.081) 3.537 12.406 ( 1.021 -3.069 0.706) 3.311 12.581 ( -1.663 12.260 7.258) 14.345 13.594 ( -4.388 1.130 -7.376) 8.656 14.079 ( 10.201 3.365 -10.392) 14.946 15.533 ( 2.226 -0.828 4.091) 4.731 16.168 ( -1.283 0.560 -1.438) 2.007 26.604 ( 0.129 -1.742 0.032) 1.747 26.633 ( 0.381 -1.748 -0.125) 1.793 26.741 ( -0.410 2.916 0.442) 2.978 26.788 ( -0.030 2.002 -0.241) 2.017 ======================= Grid point 221 (102/251) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 0.384 12.481 -8.924) 15.348 2.454 ( -2.289 15.105 4.653) 15.970 2.802 ( 10.259 -3.285 -8.226) 13.554 3.080 ( 10.700 -6.020 -2.300) 12.491 3.283 ( -8.659 -3.621 -2.339) 9.672 3.694 ( 3.572 -0.416 -16.460) 16.848 4.090 ( 3.712 -1.503 0.669) 4.060 4.331 ( 5.332 -2.949 -19.292) 20.231 4.631 ( -5.158 7.110 0.853) 8.825 4.855 ( -3.632 -3.419 1.574) 5.230 4.903 ( -1.185 7.620 6.540) 10.111 5.386 ( 6.052 -3.566 -0.885) 7.080 5.679 ( 2.641 -0.684 -0.777) 2.837 5.935 ( -2.023 0.402 5.733) 6.093 6.138 ( -4.752 -0.419 5.295) 7.127 6.493 ( 3.962 -5.853 2.148) 7.387 6.714 ( -6.176 -0.339 11.312) 12.892 6.858 ( -3.913 -5.023 4.569) 7.837 7.514 ( -2.757 1.926 1.799) 3.814 7.674 ( 2.177 4.810 -1.874) 5.602 7.789 ( 1.528 -2.097 -5.924) 6.467 7.976 ( 1.647 -4.608 -5.115) 7.079 8.263 ( -0.403 2.547 6.002) 6.533 8.709 ( 0.008 3.703 -2.993) 4.761 10.229 ( 0.348 0.993 2.994) 3.174 10.684 ( -0.102 0.378 1.151) 1.215 10.829 ( -2.648 3.546 -0.380) 4.442 11.184 ( 3.684 -5.382 -1.405) 6.672 11.574 ( -7.196 -2.951 4.297) 8.885 11.773 ( 2.284 1.542 2.273) 3.572 12.029 ( -1.706 2.668 4.028) 5.124 12.306 ( 0.051 0.972 -1.713) 1.970 12.385 ( -3.351 1.489 9.047) 9.762 12.498 ( -1.273 -4.009 4.004) 5.808 13.559 ( -1.357 -2.119 -8.005) 8.391 14.054 ( 10.649 4.001 -13.575) 17.711 15.581 ( -2.260 -2.906 5.229) 6.395 16.159 ( 0.414 -0.572 -2.195) 2.306 26.634 ( 0.048 -1.124 -0.255) 1.153 26.654 ( 0.227 0.430 -0.014) 0.486 26.699 ( -0.567 0.508 0.478) 0.899 26.766 ( 0.197 0.135 -0.126) 0.270 ======================= Grid point 222 (103/251) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.698 20.684 -9.235) 22.663 2.137 ( -3.234 19.631 10.057) 22.293 2.929 ( 9.435 -2.799 -2.870) 10.251 3.263 ( 12.901 -3.425 -3.337) 13.759 3.337 ( -4.748 -9.355 -4.867) 11.565 3.618 ( 2.116 4.814 -17.251) 18.035 3.955 ( -6.896 16.773 5.043) 18.823 4.323 ( 5.612 4.555 -7.659) 10.531 4.544 ( 4.546 -4.299 -11.201) 12.830 4.751 ( -0.371 11.819 10.404) 15.750 4.929 ( -5.965 -7.552 -1.219) 9.700 5.506 ( 5.428 -4.046 -1.587) 6.954 5.656 ( -0.043 3.649 -2.870) 4.643 5.919 ( -1.668 0.684 3.361) 3.814 6.121 ( -4.395 0.848 6.226) 7.668 6.593 ( 1.093 -1.642 0.890) 2.164 6.689 ( -7.938 0.044 10.239) 12.956 6.965 ( 0.738 -5.752 5.700) 8.132 7.437 ( -4.498 3.949 0.993) 6.067 7.597 ( 0.506 4.017 -1.604) 4.355 7.853 ( 2.142 -5.271 -5.441) 7.873 8.051 ( 2.952 -3.388 -5.667) 7.233 8.275 ( -1.193 -1.957 6.909) 7.279 8.636 ( 1.260 3.161 -4.209) 5.412 10.216 ( -0.258 1.783 2.605) 3.167 10.652 ( -0.386 2.606 -1.956) 3.281 10.725 ( -2.851 5.869 2.620) 7.031 11.221 ( 1.778 3.399 -3.133) 4.953 11.630 ( -2.799 -5.703 5.962) 8.713 11.817 ( 3.942 -2.578 2.798) 5.479 11.920 ( -1.134 8.308 3.212) 8.980 12.250 ( 1.063 0.849 1.106) 1.753 12.483 ( -1.558 -4.925 2.966) 5.957 12.602 ( -5.920 -9.718 8.458) 14.178 13.580 ( 1.940 -2.679 -6.652) 7.429 14.018 ( 10.732 3.591 -15.475) 19.172 15.640 ( -8.390 -6.109 6.739) 12.374 16.177 ( 1.820 -1.229 -2.564) 3.376 26.615 ( -0.510 2.168 0.041) 2.228 26.642 ( -0.060 0.515 -0.759) 0.919 26.721 ( -0.108 -2.158 0.800) 2.304 26.788 ( 0.385 -2.118 -0.027) 2.153 ======================= Grid point 223 (104/251) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 1.989 20.390 -1.238) 20.524 1.801 ( -1.226 19.904 15.351) 25.166 2.984 ( 7.753 7.020 0.490) 10.470 3.285 ( 2.779 13.313 7.794) 15.675 3.437 ( -3.802 -4.007 -3.528) 6.554 3.482 ( 1.590 3.668 -13.052) 13.651 3.663 ( 4.127 3.541 -3.903) 6.693 4.254 ( 6.030 5.558 -7.224) 10.929 4.529 ( -2.003 12.928 5.442) 14.169 4.683 ( 5.717 -6.383 -8.186) 11.850 5.003 ( -5.178 -5.932 -2.027) 8.131 5.469 ( -7.735 5.297 -5.701) 10.973 5.662 ( 8.734 -0.710 1.890) 8.964 5.909 ( -2.515 -0.630 -0.600) 2.661 6.076 ( -4.284 2.234 5.072) 7.005 6.566 ( -1.730 3.535 -1.160) 4.104 6.677 ( -8.001 -1.769 9.782) 12.761 7.090 ( -0.756 -4.543 7.214) 8.559 7.335 ( -1.888 3.311 -0.948) 3.927 7.528 ( -0.471 3.141 -0.677) 3.247 7.961 ( 2.081 -6.038 -3.836) 7.450 8.103 ( 3.357 -2.276 -7.044) 8.128 8.345 ( -2.722 -4.618 6.063) 8.093 8.606 ( 5.560 0.859 -5.242) 7.689 10.175 ( -0.528 3.254 2.009) 3.860 10.576 ( -1.622 6.405 0.962) 6.677 10.598 ( -1.286 4.878 -0.554) 5.075 11.110 ( 0.589 7.646 -3.448) 8.409 11.721 ( 0.438 0.178 4.664) 4.687 11.813 ( -0.768 -0.333 3.821) 3.911 11.930 ( 3.768 -4.330 2.705) 6.345 12.287 ( 0.887 -3.040 0.729) 3.249 12.510 ( -3.062 -0.222 1.389) 3.370 12.788 ( -4.436 -10.107 6.711) 12.917 13.645 ( 4.802 -3.965 -3.054) 6.936 14.001 ( 11.090 1.824 -14.408) 18.273 15.711 ( -16.572 -9.681 8.414) 20.956 16.211 ( 2.574 -1.453 -2.355) 3.779 26.575 ( -0.669 1.690 0.072) 1.819 26.624 ( -0.271 0.868 -1.001) 1.353 26.767 ( 0.124 -2.495 0.915) 2.660 26.835 ( 0.305 -2.598 0.042) 2.616 ======================= Grid point 224 (105/251) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 2.991 12.038 13.923) 18.647 1.538 ( 3.244 16.353 20.446) 26.381 2.655 ( 5.089 32.975 18.265) 38.038 3.122 ( -3.587 5.491 6.688) 9.368 3.402 ( -3.341 -2.365 -11.084) 11.816 3.515 ( 6.709 -2.159 -3.935) 8.073 3.733 ( 6.659 -2.919 -8.984) 11.557 4.130 ( 5.009 12.261 -7.670) 15.306 4.340 ( -1.174 5.312 4.631) 7.145 4.788 ( 4.807 -2.797 -7.346) 9.214 5.037 ( -5.590 -2.958 -1.015) 6.405 5.290 ( -4.549 4.345 -9.662) 11.529 5.719 ( 1.425 1.116 4.441) 4.795 5.893 ( -3.878 -1.067 -2.280) 4.624 6.025 ( -1.650 1.737 1.579) 2.869 6.467 ( -0.333 4.995 -2.907) 5.789 6.689 ( -10.245 -4.038 8.986) 14.214 7.096 ( -12.588 0.986 6.978) 14.426 7.339 ( 6.952 -1.504 -1.794) 7.336 7.483 ( 1.649 1.931 0.936) 2.706 8.023 ( -1.386 -1.243 -4.371) 4.750 8.173 ( 6.587 -4.455 -6.655) 10.369 8.422 ( -4.365 -4.740 4.087) 7.630 8.665 ( 9.905 -2.370 -4.952) 11.325 10.115 ( 0.456 3.567 1.763) 4.005 10.417 ( -4.290 8.202 5.311) 10.672 10.523 ( 2.152 4.213 -5.461) 7.225 10.956 ( 0.947 8.324 -3.105) 8.934 11.691 ( 4.373 3.107 1.413) 5.547 11.920 ( -1.381 -7.190 5.252) 9.010 12.031 ( 1.185 -3.337 3.306) 4.845 12.360 ( 0.780 -3.729 0.452) 3.836 12.474 ( -5.626 0.160 0.325) 5.637 12.866 ( -0.564 0.590 -3.162) 3.265 13.785 ( 4.179 -6.534 3.106) 8.355 14.050 ( 13.618 -2.050 -10.160) 17.113 15.766 ( -27.561 -11.655 9.743) 31.471 16.251 ( 2.742 -1.340 -1.469) 3.387 26.546 ( -0.663 1.045 0.111) 1.242 26.602 ( -0.481 0.853 -1.197) 1.547 26.815 ( 0.336 -2.154 1.067) 2.427 26.880 ( 0.040 -2.131 0.051) 2.132 ======================= Grid point 227 (106/251) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 5.866 0.000 26.202) 26.851 1.710 ( 6.572 0.000 24.373) 25.243 2.683 ( 10.170 0.000 -3.788) 10.852 2.731 ( -15.035 -0.000 5.750) 16.097 3.211 ( 3.706 0.000 0.500) 3.740 3.526 ( 5.536 0.000 -11.144) 12.444 3.640 ( 0.031 0.000 8.537) 8.537 4.019 ( 5.774 0.000 -7.147) 9.188 4.494 ( 5.007 0.000 -3.990) 6.403 4.798 ( -1.899 -0.000 -3.608) 4.077 4.965 ( -1.778 -0.000 -5.983) 6.242 5.208 ( 7.872 0.000 -8.263) 11.412 5.493 ( -1.572 -0.000 2.144) 2.658 5.709 ( -11.045 -0.000 -1.177) 11.107 5.978 ( -0.019 -0.000 1.659) 1.659 6.360 ( 1.005 0.000 -3.943) 4.069 6.611 ( -8.064 -0.000 5.377) 9.693 6.671 ( -7.071 -0.000 8.155) 10.793 7.492 ( 4.074 0.000 2.480) 4.769 7.694 ( 4.736 0.000 1.136) 4.871 8.028 ( 2.999 0.000 -2.413) 3.849 8.328 ( -6.635 -0.000 0.062) 6.636 8.470 ( 7.417 0.000 -3.412) 8.164 8.805 ( -2.136 -0.000 -3.746) 4.312 10.174 ( 2.486 0.000 2.227) 3.338 10.349 ( 3.405 0.000 -3.382) 4.799 10.493 ( 11.193 0.000 -2.035) 11.376 10.798 ( 0.633 0.000 -1.077) 1.250 11.859 ( 5.305 0.000 0.682) 5.349 11.875 ( -13.606 -0.000 -2.685) 13.869 12.106 ( -1.994 -0.000 2.730) 3.381 12.372 ( 1.785 0.000 1.745) 2.496 12.397 ( -6.207 -0.000 0.808) 6.259 12.621 ( -1.462 -0.000 -4.539) 4.769 14.071 ( 7.388 0.000 0.420) 7.399 14.265 ( -15.150 -0.000 5.754) 16.206 15.437 ( 2.883 0.000 4.733) 5.542 16.303 ( -2.837 -0.000 1.909) 3.420 26.532 ( 0.574 0.000 0.307) 0.651 26.551 ( -0.297 -0.000 -0.583) 0.654 26.885 ( 0.129 0.000 0.920) 0.929 26.911 ( -0.263 -0.000 -0.168) 0.312 ======================= Grid point 228 (107/251) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 6.298 2.151 20.993) 22.023 2.031 ( 7.884 -14.114 21.427) 26.842 2.620 ( -8.424 -1.026 -6.450) 10.659 2.770 ( -6.557 -8.028 -5.409) 11.692 3.363 ( 5.176 -9.950 -1.751) 11.352 3.518 ( 6.519 -0.196 -5.145) 8.307 3.834 ( 7.205 -10.081 9.705) 15.739 3.980 ( 2.672 5.545 -7.651) 9.819 4.449 ( -0.781 5.058 -0.999) 5.215 4.775 ( -1.927 -1.995 -4.149) 4.991 4.921 ( 3.845 0.881 -11.718) 12.364 5.273 ( 3.453 -2.442 -0.615) 4.274 5.545 ( 3.768 -3.115 2.048) 5.301 5.638 ( -9.485 -2.408 0.484) 9.798 6.000 ( -0.907 -2.061 0.330) 2.275 6.345 ( -0.691 0.675 -3.510) 3.640 6.567 ( -3.845 0.529 6.088) 7.220 6.679 ( -7.660 -3.166 6.944) 10.813 7.541 ( 3.876 -0.561 3.233) 5.079 7.721 ( 2.972 0.627 0.874) 3.161 8.005 ( 1.883 3.962 -1.603) 4.671 8.240 ( -4.524 4.358 -1.014) 6.363 8.500 ( 6.074 1.543 -3.687) 7.271 8.783 ( -1.996 -1.028 -2.392) 3.280 10.233 ( 4.896 -1.583 0.816) 5.210 10.338 ( 3.273 0.434 1.449) 3.606 10.611 ( 7.211 -3.217 -3.082) 8.476 10.844 ( 0.579 -4.913 -2.019) 5.343 11.736 ( -15.337 1.207 -2.230) 15.545 11.905 ( 2.185 -0.913 0.186) 2.375 12.058 ( -0.355 4.426 2.566) 5.128 12.319 ( -5.178 2.552 1.277) 5.912 12.386 ( 2.398 1.242 1.726) 3.205 12.663 ( -2.169 -6.252 -3.878) 7.670 14.080 ( -11.355 7.187 7.638) 15.457 14.135 ( 3.708 0.896 -1.232) 4.009 15.496 ( 8.764 0.304 1.589) 8.912 16.270 ( -4.076 1.259 1.701) 4.592 26.541 ( 0.561 -0.423 0.357) 0.788 26.555 ( -0.073 -0.763 -0.399) 0.864 26.875 ( -0.029 1.349 0.766) 1.552 26.899 ( -0.202 1.069 -0.273) 1.122 ======================= Grid point 229 (108/251) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 6.788 -7.042 11.991) 15.474 2.415 ( 8.804 -13.181 15.910) 22.458 2.599 ( -3.819 -4.804 -8.766) 10.701 2.844 ( -5.916 -8.129 -8.544) 13.194 3.560 ( 4.874 -7.866 -8.336) 12.455 3.583 ( -2.068 -2.973 -1.953) 4.115 3.817 ( -2.920 4.507 -9.936) 11.295 4.024 ( 3.142 0.009 4.526) 5.510 4.443 ( 1.866 -6.327 2.693) 7.125 4.814 ( 4.695 -2.111 -3.677) 6.326 4.941 ( 7.264 -2.420 -9.206) 11.974 5.305 ( -1.366 0.084 2.193) 2.584 5.637 ( 0.214 -4.015 2.807) 4.903 5.682 ( 0.236 -5.200 3.517) 6.282 6.034 ( -2.184 -3.129 0.052) 3.816 6.302 ( -3.402 0.933 -1.964) 4.038 6.582 ( -0.236 -1.499 6.642) 6.813 6.699 ( -8.323 -3.413 6.522) 11.111 7.578 ( 0.927 0.261 2.627) 2.798 7.741 ( 3.667 -0.162 1.077) 3.825 7.918 ( 0.884 5.702 -1.512) 5.965 8.104 ( -2.618 6.762 -2.643) 7.718 8.483 ( 4.167 3.532 -2.624) 6.060 8.792 ( -0.655 -1.472 -2.258) 2.774 10.267 ( 5.008 1.565 0.118) 5.248 10.445 ( 2.839 -6.876 4.998) 8.962 10.693 ( 4.584 -2.489 -1.629) 5.464 10.936 ( -1.376 -5.489 -2.546) 6.205 11.584 ( -15.865 0.790 -1.448) 15.951 11.911 ( -1.069 1.655 1.794) 2.664 12.004 ( 1.435 1.703 1.576) 2.728 12.252 ( -3.177 1.485 0.289) 3.518 12.383 ( 2.764 1.572 1.343) 3.452 12.738 ( -1.646 -4.033 -1.626) 4.649 13.831 ( -11.986 10.336 5.088) 16.624 14.168 ( 8.419 1.365 -3.973) 9.409 15.558 ( 8.804 1.367 1.454) 9.027 16.213 ( -3.998 1.637 0.673) 4.372 26.557 ( 0.396 -0.818 0.317) 0.962 26.573 ( 0.230 -1.334 -0.144) 1.361 26.843 ( -0.187 2.357 0.563) 2.431 26.868 ( -0.165 1.985 -0.365) 2.025 ======================= Grid point 230 (109/251) ======================= q-point: ( 0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 5.346 -10.269 3.625) 12.131 2.622 ( -2.225 -5.463 -9.755) 11.400 2.739 ( 7.452 -6.781 7.587) 12.613 2.913 ( 4.341 -4.786 -7.854) 10.170 3.402 ( -11.620 10.785 -2.002) 15.979 3.612 ( -1.225 -1.906 -13.852) 14.036 3.916 ( 6.444 -11.290 -3.973) 13.593 4.050 ( -0.703 -4.146 -3.290) 5.340 4.565 ( -2.226 -4.963 -5.080) 7.443 4.893 ( 8.402 -0.889 -2.052) 8.695 5.037 ( 6.279 -1.669 2.843) 7.092 5.298 ( -0.290 -0.794 1.146) 1.424 5.702 ( 3.364 -0.212 1.659) 3.757 5.804 ( -0.880 -6.307 5.996) 8.747 6.074 ( -5.122 -3.449 1.773) 6.424 6.278 ( -3.090 -2.964 0.043) 4.282 6.655 ( 2.306 -2.656 7.973) 8.715 6.712 ( -8.587 -3.049 6.605) 11.255 7.562 ( -2.883 1.020 1.884) 3.591 7.780 ( 4.057 1.780 0.066) 4.431 7.845 ( 3.369 1.199 -1.291) 3.802 7.949 ( -2.031 6.785 -4.081) 8.174 8.426 ( 1.849 4.886 -0.198) 5.228 8.792 ( -0.407 0.265 -2.984) 3.023 10.272 ( 2.349 1.673 2.086) 3.559 10.606 ( 3.275 -5.536 3.746) 7.443 10.784 ( 3.525 -4.741 -1.001) 5.992 10.984 ( -4.434 -3.518 -0.785) 5.714 11.473 ( -12.400 -1.741 0.200) 12.523 11.865 ( -0.699 2.647 2.339) 3.601 12.015 ( -0.605 -0.970 2.037) 2.336 12.216 ( -1.821 0.201 -1.301) 2.247 12.396 ( 3.150 -0.174 1.207) 3.378 12.742 ( -1.080 3.510 3.054) 4.776 13.596 ( -7.831 6.867 -0.800) 10.446 14.183 ( 9.010 2.626 -7.260) 11.865 15.588 ( 5.197 2.323 2.897) 6.388 16.164 ( -2.133 0.854 -0.714) 2.406 26.579 ( 0.232 -1.259 0.255) 1.306 26.604 ( 0.486 -1.713 0.087) 1.783 26.793 ( -0.465 3.001 0.230) 3.045 26.827 ( -0.034 2.346 -0.285) 2.364 ======================= Grid point 231 (110/251) ======================= q-point: (-0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 2.364 -1.785 -3.717) 4.753 2.619 ( -0.525 2.922 -4.390) 5.300 2.823 ( 6.860 -1.508 -12.000) 13.904 3.036 ( 2.350 0.114 4.036) 4.672 3.194 ( -3.436 -1.135 0.301) 3.631 3.602 ( 0.156 -3.968 -15.083) 15.597 4.104 ( 2.726 -1.821 -1.312) 3.531 4.154 ( 3.779 -11.275 -15.547) 19.573 4.581 ( -3.917 -2.964 -3.896) 6.269 4.916 ( 2.997 4.366 3.052) 6.112 5.048 ( 1.757 5.169 5.441) 7.707 5.366 ( 5.296 -3.640 -0.481) 6.445 5.719 ( 4.261 1.661 0.669) 4.622 5.907 ( -2.587 -3.787 5.052) 6.823 6.079 ( -7.837 -2.355 4.914) 9.545 6.371 ( -1.911 -8.148 0.534) 8.386 6.702 ( -6.670 -0.310 10.152) 12.151 6.775 ( 2.618 -4.607 6.196) 8.153 7.523 ( -4.030 0.908 2.044) 4.609 7.748 ( 3.407 2.727 -3.051) 5.325 7.801 ( -1.570 4.978 -3.389) 6.223 7.921 ( 5.260 -3.136 -2.104) 6.476 8.344 ( -0.531 4.846 2.611) 5.530 8.752 ( -0.829 2.370 -3.385) 4.215 10.259 ( -0.478 1.407 2.991) 3.339 10.696 ( 3.213 -0.864 1.005) 3.476 10.847 ( -1.670 0.283 -0.215) 1.707 11.062 ( -0.304 -8.800 0.297) 8.810 11.456 ( -7.824 -4.322 2.931) 9.407 11.828 ( 0.531 2.133 1.780) 2.829 12.031 ( -2.522 -0.930 3.420) 4.350 12.217 ( -1.779 -2.990 -1.429) 3.761 12.446 ( 2.368 -1.917 2.114) 3.708 12.606 ( -1.356 11.792 6.978) 13.769 13.485 ( -2.917 -0.418 -5.948) 6.638 14.166 ( 9.341 3.812 -11.284) 15.137 15.580 ( -0.249 1.979 4.711) 5.116 16.149 ( 0.506 -0.256 -1.911) 1.994 26.608 ( 0.206 -1.594 0.171) 1.616 26.640 ( 0.513 -1.703 0.175) 1.787 26.734 ( -0.641 3.008 0.064) 3.076 26.786 ( 0.025 1.889 -0.215) 1.902 ======================= Grid point 232 (111/251) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 3.218 14.308 -9.338) 17.386 2.451 ( -2.020 13.861 4.805) 14.809 2.928 ( 10.874 -4.738 -7.621) 14.099 3.045 ( -9.787 -9.997 -2.984) 14.305 3.317 ( 10.187 -3.189 0.852) 10.709 3.619 ( 3.200 -1.004 -17.352) 17.673 4.083 ( -4.704 2.657 -4.364) 6.945 4.280 ( 7.765 -4.803 -19.472) 21.507 4.613 ( -0.223 -1.347 2.795) 3.111 4.816 ( -0.934 5.700 4.061) 7.061 4.969 ( 1.659 7.843 8.090) 11.389 5.460 ( 1.430 -3.259 -2.575) 4.393 5.720 ( 5.408 2.121 -0.735) 5.856 5.927 ( -2.934 0.175 3.168) 4.322 6.084 ( -7.867 -2.407 7.407) 11.070 6.493 ( -4.339 -7.104 -0.457) 8.337 6.679 ( -6.153 0.730 10.173) 11.912 6.910 ( 4.044 -4.726 7.171) 9.493 7.470 ( -4.016 2.345 0.815) 4.722 7.668 ( -0.148 5.024 -3.274) 5.999 7.784 ( 2.628 -2.423 -3.446) 4.965 8.009 ( 5.217 -2.897 -4.411) 7.421 8.281 ( -2.433 1.886 5.471) 6.278 8.685 ( -0.001 2.949 -3.245) 4.384 10.238 ( -1.871 0.896 2.759) 3.451 10.703 ( 2.828 2.513 -1.796) 4.188 10.791 ( -3.095 3.197 2.713) 5.212 11.208 ( 0.583 -5.008 -2.335) 5.556 11.517 ( -3.457 -6.051 5.314) 8.764 11.822 ( 1.788 -0.268 2.201) 2.848 12.018 ( -2.908 1.892 3.634) 5.024 12.299 ( -0.277 -5.921 0.087) 5.928 12.396 ( -2.643 8.118 7.714) 11.506 12.509 ( -1.000 -1.840 4.004) 4.518 13.503 ( 1.533 -4.032 -7.066) 8.279 14.121 ( 9.577 4.173 -15.300) 18.526 15.555 ( -5.621 0.176 6.400) 8.520 16.164 ( 2.150 -0.996 -2.565) 3.492 26.634 ( 0.194 -0.719 -0.166) 0.763 26.655 ( -0.058 1.268 -0.215) 1.288 26.696 ( -0.270 -0.277 0.638) 0.746 26.767 ( 0.103 -0.131 -0.145) 0.221 ======================= Grid point 233 (112/251) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 6.066 19.691 -6.504) 21.606 2.179 ( -0.506 17.286 11.000) 20.495 3.049 ( 4.826 -3.278 -0.813) 5.890 3.210 ( -2.825 -13.085 -7.622) 15.404 3.412 ( 5.762 -0.004 -5.908) 8.253 3.563 ( 7.359 4.291 -12.583) 15.195 3.894 ( -3.635 13.014 0.523) 13.522 4.327 ( 5.776 -0.313 -15.836) 16.860 4.605 ( 7.407 3.268 -0.513) 8.112 4.827 ( -2.854 8.616 9.143) 12.883 4.833 ( -1.039 -3.730 1.094) 4.024 5.445 ( -7.028 1.136 -5.894) 9.242 5.749 ( 8.508 1.121 1.488) 8.710 5.894 ( -2.948 1.276 1.070) 3.385 6.076 ( -6.526 -0.202 6.846) 9.460 6.528 ( -7.903 -2.351 -0.512) 8.261 6.657 ( -4.903 0.618 9.150) 10.400 7.041 ( 1.142 -3.928 7.887) 8.885 7.393 ( 0.082 3.448 -1.466) 3.748 7.576 ( -0.806 3.541 -2.326) 4.313 7.864 ( 2.810 -4.933 -3.587) 6.715 8.070 ( 4.141 -1.945 -6.843) 8.232 8.281 ( -3.781 -2.020 6.693) 7.948 8.646 ( 3.347 1.195 -2.888) 4.579 10.213 ( -2.003 1.327 2.030) 3.145 10.652 ( 2.075 4.049 -1.917) 4.937 10.705 ( -2.150 5.665 3.005) 6.764 11.202 ( -0.818 3.411 -3.618) 5.039 11.645 ( -0.482 -6.862 6.215) 9.271 11.886 ( 1.754 -3.840 2.378) 4.845 11.929 ( -1.075 7.049 4.697) 8.538 12.263 ( -0.534 1.662 1.615) 2.379 12.479 ( -0.573 -3.546 0.430) 3.618 12.567 ( -6.159 -9.902 9.759) 15.206 13.587 ( 4.694 -4.765 -5.725) 8.804 14.074 ( 9.643 2.868 -17.680) 20.342 15.533 ( -10.407 -1.945 8.045) 13.297 16.196 ( 2.446 -1.452 -2.549) 3.819 26.608 ( -0.346 2.308 -0.061) 2.334 26.636 ( -0.007 0.842 -0.789) 1.154 26.727 ( 0.049 -2.305 0.952) 2.494 26.792 ( 0.176 -2.231 -0.054) 2.239 ======================= Grid point 234 (113/251) ======================= q-point: (-0.10 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 8.216 17.898 2.939) 19.912 1.930 ( 4.227 16.494 15.655) 23.130 3.066 ( 0.373 4.383 -5.979) 7.423 3.299 ( -3.711 6.881 1.891) 8.043 3.358 ( 3.569 2.022 -3.857) 5.631 3.529 ( 5.517 3.396 -0.150) 6.480 3.721 ( 7.402 1.684 -6.880) 10.245 4.281 ( 4.773 4.214 -10.652) 12.410 4.513 ( -1.580 12.282 0.898) 12.416 4.758 ( 6.073 -1.382 -1.053) 6.317 4.921 ( -3.088 -5.152 -0.149) 6.009 5.304 ( -6.485 4.552 -7.035) 10.595 5.777 ( 0.755 2.072 3.281) 3.953 5.853 ( -2.635 0.787 -0.047) 2.750 6.045 ( -2.176 1.225 3.079) 3.964 6.476 ( -7.423 0.278 -0.531) 7.447 6.634 ( -5.528 0.674 8.350) 10.037 7.071 ( -8.116 1.456 7.525) 11.164 7.382 ( 8.252 0.358 -2.423) 8.608 7.525 ( 1.063 1.356 -0.361) 1.760 7.951 ( -0.329 -3.999 -4.484) 6.018 8.118 ( 4.476 -3.498 -7.261) 9.219 8.326 ( -4.043 -3.782 5.369) 7.712 8.680 ( 6.763 -1.462 -2.929) 7.514 10.172 ( -1.028 2.313 1.514) 2.949 10.557 ( -3.607 8.227 4.598) 10.091 10.601 ( 3.784 4.210 -3.335) 6.570 11.091 ( 0.422 6.738 -3.891) 7.792 11.772 ( 0.657 -2.877 6.749) 7.366 11.834 ( 0.048 1.555 3.439) 3.774 11.984 ( 0.577 -4.098 2.739) 4.963 12.282 ( -2.296 -3.561 1.322) 4.438 12.452 ( -4.186 1.745 -0.684) 4.586 12.770 ( -3.144 -9.458 5.266) 11.273 13.712 ( 5.979 -6.228 -1.824) 8.824 14.066 ( 8.771 -0.706 -16.141) 18.384 15.511 ( -14.404 -3.039 9.687) 17.623 16.235 ( 1.831 -1.769 -1.766) 3.098 26.569 ( -0.198 1.777 0.058) 1.789 26.613 ( -0.225 1.144 -1.006) 1.540 26.777 ( 0.214 -2.639 1.020) 2.837 26.838 ( 0.027 -2.554 -0.054) 2.555 ======================= Grid point 238 (114/251) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 3.495 0.000 22.948) 23.212 1.932 ( 1.667 0.000 19.803) 19.873 2.541 ( -13.582 -0.000 5.717) 14.736 2.595 ( -2.203 -0.000 -18.457) 18.588 3.285 ( 1.355 0.000 -4.874) 5.058 3.544 ( 6.892 0.000 -13.777) 15.405 3.905 ( 18.362 0.000 19.701) 26.932 4.039 ( 3.128 0.000 -3.874) 4.979 4.484 ( -2.468 -0.000 -6.533) 6.984 4.695 ( -7.036 -0.000 -4.853) 8.547 4.907 ( -0.957 -0.000 -3.459) 3.589 5.272 ( 6.927 0.000 -5.553) 8.878 5.526 ( -10.710 -0.000 -0.447) 10.719 5.581 ( 8.296 0.000 3.011) 8.826 5.971 ( -1.892 -0.000 0.427) 1.939 6.341 ( -0.081 -0.000 -3.910) 3.911 6.562 ( -2.085 -0.000 3.658) 4.210 6.630 ( -5.253 -0.000 8.735) 10.193 7.581 ( 3.969 0.000 4.457) 5.968 7.742 ( 0.561 0.000 0.852) 1.020 8.056 ( 1.057 0.000 0.814) 1.333 8.250 ( -2.311 -0.000 -1.336) 2.670 8.542 ( 5.236 0.000 -5.327) 7.469 8.738 ( -4.076 -0.000 -1.318) 4.284 10.259 ( 6.067 0.000 3.162) 6.842 10.390 ( 4.302 0.000 -2.551) 5.001 10.621 ( 6.787 0.000 -2.441) 7.213 10.796 ( 0.029 0.000 -1.311) 1.311 11.612 ( -15.525 -0.000 -3.901) 16.008 11.913 ( 0.894 0.000 -0.529) 1.039 12.113 ( 0.576 0.000 2.837) 2.895 12.309 ( -4.984 -0.000 0.345) 4.996 12.426 ( 2.416 0.000 2.300) 3.335 12.560 ( -2.635 -0.000 -2.536) 3.657 14.060 ( -16.069 -0.000 9.580) 18.708 14.187 ( 7.260 0.000 -0.951) 7.322 15.588 ( 12.492 0.000 -0.534) 12.503 16.250 ( -5.429 -0.000 2.068) 5.809 26.544 ( 0.589 0.000 0.449) 0.741 26.547 ( 0.130 0.000 -0.069) 0.147 26.889 ( -0.275 -0.000 0.560) 0.624 26.907 ( -0.082 -0.000 -0.297) 0.308 ======================= Grid point 239 (115/251) ======================= q-point: ( 0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.522 2.203 16.063) 16.222 2.223 ( -1.159 -15.809 14.585) 21.541 2.465 ( -7.479 -2.787 -0.381) 7.991 2.632 ( -0.699 -8.779 -9.807) 13.181 3.348 ( -1.034 -8.572 -6.600) 10.868 3.550 ( 5.062 -0.784 -14.486) 15.365 3.950 ( 1.473 10.727 1.656) 10.954 4.128 ( 11.811 0.621 8.600) 14.623 4.377 ( -5.940 0.436 -4.164) 7.267 4.742 ( 1.289 -9.496 -0.257) 9.586 4.908 ( 2.523 -1.319 -6.598) 7.186 5.308 ( 3.393 0.497 -2.489) 4.237 5.504 ( -6.091 -5.600 0.971) 8.331 5.678 ( 7.178 -2.322 3.013) 8.124 5.967 ( -3.206 -1.584 -0.439) 3.603 6.303 ( -1.784 2.070 -2.914) 3.995 6.580 ( 1.140 -1.163 3.434) 3.801 6.635 ( -4.187 -1.165 8.758) 9.777 7.611 ( 1.252 1.505 3.900) 4.364 7.753 ( 1.069 -1.024 1.385) 2.027 8.022 ( -0.299 4.450 2.400) 5.065 8.189 ( -0.428 4.821 -2.390) 5.398 8.545 ( 3.626 1.536 -5.901) 7.094 8.728 ( -3.331 -2.702 -1.253) 4.468 10.334 ( 6.711 0.126 0.550) 6.735 10.411 ( 4.433 -1.304 2.716) 5.360 10.683 ( 3.893 -2.133 -1.820) 4.798 10.825 ( -1.502 -3.865 -1.978) 4.594 11.471 ( -13.824 0.955 -3.477) 14.287 11.909 ( -1.491 -0.291 -1.176) 1.922 12.087 ( 1.406 4.244 2.449) 5.097 12.251 ( -3.706 1.647 0.470) 4.083 12.437 ( 1.812 1.084 1.654) 2.682 12.611 ( -1.484 -6.629 -1.645) 6.990 13.913 ( -13.314 6.525 8.757) 17.219 14.234 ( 6.749 0.448 -2.269) 7.134 15.674 ( 12.491 1.630 -0.238) 12.599 16.203 ( -5.425 0.870 1.413) 5.673 26.552 ( 0.367 -0.330 0.336) 0.597 26.557 ( 0.502 -0.761 0.358) 0.980 26.875 ( -0.468 1.298 0.333) 1.419 26.895 ( -0.009 1.130 -0.355) 1.184 ======================= Grid point 240 (116/251) ======================= q-point: ( 0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -1.042 -6.941 7.084) 9.972 2.446 ( -0.727 -8.950 -6.967) 11.365 2.556 ( -9.793 -11.497 5.736) 16.155 2.833 ( 9.863 -11.484 -1.018) 15.173 3.445 ( -5.175 -0.447 -11.614) 12.723 3.536 ( -0.538 -2.864 -14.509) 14.799 3.756 ( -0.737 5.397 5.005) 7.398 4.134 ( 7.388 3.939 2.095) 8.631 4.414 ( -4.525 -6.914 -5.241) 9.785 4.938 ( 5.880 -0.909 -5.681) 8.227 4.997 ( 8.322 -10.054 4.992) 13.973 5.299 ( 0.768 0.851 0.024) 1.146 5.602 ( -3.692 -7.639 2.153) 8.754 5.782 ( 4.884 -2.488 2.088) 5.865 5.975 ( -4.908 -3.040 0.486) 5.794 6.237 ( -3.073 1.610 -1.269) 3.694 6.627 ( -2.095 -2.206 4.831) 5.710 6.678 ( 2.349 -1.742 8.672) 9.152 7.570 ( -3.354 2.482 1.932) 4.598 7.812 ( 3.939 -1.844 2.073) 4.818 7.931 ( -0.395 5.530 2.611) 6.128 8.063 ( 0.172 7.690 -3.249) 8.350 8.505 ( 1.481 3.138 -4.333) 5.551 8.753 ( -1.809 -2.441 -2.963) 4.244 10.340 ( 3.023 2.818 1.162) 4.293 10.544 ( 5.295 -6.137 4.343) 9.196 10.745 ( 3.063 -2.515 -0.908) 4.065 10.867 ( -5.487 -4.192 -1.876) 7.155 11.360 ( -9.700 -0.515 -1.440) 9.819 11.892 ( -1.956 0.484 -0.199) 2.025 12.030 ( 0.302 2.824 1.190) 3.080 12.208 ( -2.089 0.889 -0.531) 2.332 12.437 ( 2.475 1.078 1.536) 3.106 12.715 ( -0.296 -5.188 -0.422) 5.213 13.695 ( -9.781 9.672 5.844) 14.946 14.259 ( 6.317 1.317 -4.682) 7.973 15.711 ( 8.683 4.130 1.665) 9.758 16.157 ( -2.953 0.523 0.013) 2.999 26.564 ( 0.237 -0.728 0.380) 0.854 26.582 ( 0.712 -1.284 0.494) 1.549 26.838 ( -0.681 2.370 0.011) 2.466 26.865 ( 0.089 1.988 -0.310) 2.014 ======================= Grid point 241 (117/251) ======================= q-point: (-0.40 -0.70 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -1.818 -10.199 -0.966) 10.405 2.562 ( 1.445 -5.818 -5.481) 8.123 2.667 ( -9.053 -9.246 -6.803) 14.620 3.131 ( 13.645 -9.097 4.656) 17.048 3.199 ( -7.338 11.247 -9.291) 16.329 3.518 ( 0.856 0.376 -8.733) 8.783 3.839 ( -3.021 -10.948 -8.428) 14.143 4.188 ( 11.373 -0.454 1.621) 11.497 4.466 ( -4.939 -5.239 -5.927) 9.325 4.977 ( 2.339 -1.037 -1.337) 2.887 5.151 ( 3.879 1.848 5.459) 6.947 5.343 ( 5.691 -3.281 -0.321) 6.576 5.700 ( -5.135 -6.138 0.955) 8.059 5.853 ( 2.576 -1.779 1.608) 3.519 5.994 ( -5.275 -2.104 4.352) 7.155 6.227 ( -3.191 -4.362 -0.218) 5.410 6.658 ( -4.321 -1.827 7.814) 9.114 6.784 ( 6.470 -2.438 8.147) 10.686 7.506 ( -4.864 1.254 0.945) 5.111 7.822 ( 1.027 3.850 -0.064) 3.985 7.897 ( 0.037 3.745 -0.328) 3.760 7.926 ( 4.670 2.498 -0.881) 5.369 8.428 ( -0.826 4.476 -1.741) 4.872 8.751 ( -1.406 -0.043 -4.234) 4.461 10.299 ( -1.534 2.899 2.812) 4.321 10.703 ( 6.745 -3.770 1.200) 7.820 10.815 ( 0.583 -2.670 -0.276) 2.747 10.892 ( -6.365 -6.610 0.205) 9.178 11.340 ( -4.916 -3.428 2.224) 6.393 11.864 ( -0.782 1.324 0.584) 1.645 12.006 ( -1.977 -0.184 1.279) 2.362 12.178 ( -1.334 0.324 -1.687) 2.175 12.457 ( 2.882 -0.268 1.823) 3.421 12.754 ( 0.133 2.315 2.906) 3.718 13.491 ( -5.165 6.177 0.422) 8.063 14.250 ( 5.819 2.573 -8.139) 10.331 15.675 ( 2.741 5.638 3.695) 7.277 16.144 ( 0.669 -0.229 -1.263) 1.448 26.585 ( 0.189 -1.214 0.412) 1.296 26.616 ( 0.739 -1.565 0.463) 1.792 26.783 ( -0.757 2.970 -0.161) 3.069 26.825 ( 0.085 2.368 -0.304) 2.389 ======================= Grid point 242 (118/251) ======================= q-point: (-0.30 -0.70 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.401 -2.145 -6.249) 6.619 2.597 ( -0.075 2.746 -3.374) 4.351 2.730 ( -8.451 -10.252 -5.689) 14.453 2.977 ( -0.892 4.452 -8.959) 10.044 3.367 ( 13.506 -2.501 5.347) 14.740 3.534 ( 3.721 -4.572 -12.085) 13.446 3.940 ( -5.258 -7.317 -12.170) 15.142 4.284 ( 12.053 0.280 -9.773) 15.520 4.513 ( -2.816 -5.733 0.603) 6.416 4.976 ( -0.078 3.782 5.600) 6.758 5.117 ( 2.178 4.919 5.319) 7.565 5.414 ( 1.008 -1.205 -3.009) 3.394 5.753 ( -2.839 -3.456 0.435) 4.494 5.900 ( -0.072 -1.431 1.652) 2.187 6.003 ( -3.830 -1.219 7.615) 8.610 6.316 ( -4.424 -7.632 -0.540) 8.838 6.675 ( -4.202 -0.363 9.536) 10.427 6.911 ( 6.080 -2.776 8.601) 10.893 7.456 ( -4.387 0.381 -0.749) 4.467 7.739 ( -2.998 4.440 -3.672) 6.495 7.812 ( 5.685 3.516 0.186) 6.687 7.992 ( 4.414 -2.294 -1.543) 5.209 8.331 ( -3.038 4.196 1.504) 5.394 8.711 ( -0.812 1.563 -3.964) 4.337 10.246 ( -3.465 1.474 2.955) 4.787 10.766 ( 5.566 1.443 -2.663) 6.337 10.810 ( -3.068 0.782 2.476) 4.019 11.049 ( -1.865 -11.058 0.378) 11.220 11.408 ( -1.657 -5.453 5.258) 7.754 11.842 ( -0.131 0.850 0.539) 1.014 12.005 ( -3.080 -0.927 2.745) 4.229 12.182 ( -1.432 -3.331 -0.884) 3.732 12.495 ( 1.305 -0.700 2.648) 3.033 12.632 ( -1.241 11.845 6.580) 13.606 13.433 ( 1.410 -2.098 -5.226) 5.806 14.203 ( 5.285 3.576 -12.304) 13.860 15.594 ( -1.788 5.016 5.195) 7.439 16.159 ( 2.262 -0.593 -1.973) 3.060 26.613 ( 0.245 -1.536 0.318) 1.588 26.650 ( 0.486 -1.380 0.257) 1.486 26.724 ( -0.606 2.809 0.007) 2.874 26.785 ( -0.008 1.887 -0.344) 1.919 ======================= Grid point 243 (119/251) ======================= q-point: (-0.20 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 5.949 12.134 -7.942) 15.675 2.458 ( -1.476 10.514 5.065) 11.763 2.875 ( -8.496 -13.032 -1.073) 15.594 2.987 ( 4.500 -7.353 -13.911) 16.365 3.461 ( 8.202 1.787 -1.365) 8.505 3.616 ( 8.009 -1.885 -10.057) 12.993 3.934 ( -4.731 -0.828 -10.008) 11.101 4.307 ( 10.047 0.292 -17.360) 20.059 4.634 ( 1.180 -6.879 2.457) 7.400 4.883 ( 1.411 8.944 8.282) 12.271 5.042 ( 0.630 7.853 7.466) 10.853 5.385 ( -5.235 0.638 -4.920) 7.213 5.786 ( -2.978 -2.196 1.020) 3.838 5.911 ( -0.418 0.648 2.748) 2.854 6.034 ( -0.567 -1.191 6.847) 6.973 6.389 ( -7.310 -5.271 -0.959) 9.063 6.670 ( -3.937 0.961 10.085) 10.868 7.022 ( 1.363 -2.402 8.902) 9.321 7.423 ( 0.362 0.386 -2.919) 2.967 7.629 ( -1.701 4.057 -3.032) 5.343 7.829 ( 4.202 -0.458 -1.781) 4.587 8.051 ( 4.155 -1.643 -5.383) 6.996 8.260 ( -4.927 1.102 5.311) 7.328 8.676 ( 1.586 0.860 -2.432) 3.028 10.214 ( -3.025 0.459 2.440) 3.913 10.733 ( -0.278 3.421 0.552) 3.476 10.783 ( 2.334 3.011 -0.055) 3.810 11.174 ( -2.619 -4.121 -1.559) 5.126 11.542 ( 1.131 -7.137 6.193) 9.517 11.843 ( -1.236 -1.536 0.986) 2.204 11.997 ( -2.301 0.948 3.671) 4.435 12.296 ( -0.887 -10.131 1.948) 10.354 12.408 ( -2.098 11.391 6.580) 13.321 12.513 ( -1.959 0.603 3.749) 4.273 13.517 ( 5.973 -5.215 -6.666) 10.359 14.129 ( 4.772 3.368 -16.034) 17.064 15.514 ( -4.376 3.225 6.401) 8.397 16.183 ( 2.022 -0.956 -2.250) 3.172 26.637 ( 0.258 -0.228 -0.061) 0.349 26.650 ( -0.191 1.652 -0.462) 1.726 26.699 ( -0.047 -0.799 0.889) 1.197 26.767 ( 0.003 -0.351 -0.261) 0.438 ======================= Grid point 244 (120/251) ======================= q-point: (-0.10 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 9.840 16.861 -3.180) 19.780 2.277 ( 3.776 12.913 10.814) 17.261 2.987 ( -7.662 -6.022 -2.663) 10.103 3.154 ( 1.692 -11.809 -17.115) 20.863 3.454 ( 7.801 3.987 -1.927) 8.970 3.640 ( 4.391 1.658 -3.596) 5.913 3.841 ( 0.534 5.316 -6.968) 8.781 4.322 ( 8.410 0.590 -17.786) 19.682 4.722 ( 4.875 7.926 2.796) 9.716 4.790 ( -0.879 -1.508 3.153) 3.604 4.913 ( -0.124 7.443 8.527) 11.319 5.294 ( -4.902 2.324 -5.246) 7.547 5.777 ( -5.978 -0.450 -0.062) 5.995 5.890 ( -2.217 2.299 5.377) 6.254 6.072 ( 3.896 0.919 3.663) 5.425 6.385 ( -8.788 -2.485 -0.580) 9.151 6.649 ( -4.160 1.640 9.733) 10.711 7.054 ( -6.634 0.244 7.445) 9.975 7.448 ( 8.501 -0.286 -2.802) 8.955 7.554 ( -0.094 2.214 -1.428) 2.637 7.868 ( 0.661 -2.787 -4.858) 5.640 8.078 ( 2.521 -1.165 -6.978) 7.511 8.259 ( -3.985 -2.613 6.595) 8.136 8.697 ( 4.580 -1.050 -1.447) 4.917 10.193 ( -1.687 0.725 1.851) 2.607 10.659 ( -2.522 4.546 3.603) 6.325 10.724 ( 4.648 5.950 -2.222) 7.870 11.157 ( -1.863 2.222 -2.818) 4.043 11.696 ( 1.349 -6.085 6.017) 8.663 11.868 ( -5.539 -2.219 2.123) 6.333 11.967 ( 1.010 2.179 4.807) 5.374 12.263 ( -1.072 3.683 2.622) 4.646 12.457 ( -1.948 1.146 -1.382) 2.649 12.551 ( -3.966 -12.841 9.169) 16.269 13.645 ( 6.820 -5.487 -5.637) 10.411 14.064 ( 4.217 1.189 -16.762) 17.325 15.457 ( -5.061 1.526 7.209) 8.939 16.209 ( 0.947 -1.459 -1.934) 2.601 26.604 ( -0.117 2.219 -0.085) 2.224 26.632 ( 0.086 1.205 -0.697) 1.395 26.735 ( 0.052 -2.452 0.982) 2.642 26.793 ( -0.008 -2.263 -0.170) 2.269 ======================= Grid point 249 (121/251) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -6.721 -0.000 14.004) 15.533 2.011 ( -7.189 -0.000 14.297) 16.003 2.400 ( -8.615 -0.000 6.548) 10.821 2.506 ( 6.229 0.000 -12.555) 14.015 3.246 ( 0.114 0.000 -5.374) 5.375 3.525 ( 3.170 0.000 -16.548) 16.849 4.119 ( 8.642 0.000 2.306) 8.945 4.232 ( -0.964 -0.000 -4.061) 4.174 4.377 ( 0.099 0.000 9.379) 9.379 4.537 ( -8.110 -0.000 -4.559) 9.303 4.918 ( 6.146 0.000 -0.036) 6.146 5.369 ( 10.072 0.000 -6.407) 11.937 5.392 ( -5.743 -0.000 0.598) 5.774 5.715 ( 4.414 0.000 3.209) 5.457 5.926 ( -3.439 -0.000 -0.936) 3.564 6.302 ( -1.731 -0.000 -3.113) 3.562 6.600 ( 3.983 0.000 2.911) 4.933 6.632 ( -1.905 -0.000 8.977) 9.177 7.670 ( 2.685 0.000 5.658) 6.263 7.733 ( -1.830 -0.000 0.523) 1.903 8.062 ( -3.214 -0.000 4.506) 5.535 8.240 ( 2.912 0.000 -2.810) 4.047 8.558 ( 1.836 0.000 -7.393) 7.618 8.662 ( -4.318 -0.000 -0.519) 4.349 10.394 ( 6.937 0.000 3.277) 7.672 10.448 ( 4.592 0.000 -1.237) 4.756 10.671 ( 1.245 0.000 -0.620) 1.391 10.779 ( -0.767 -0.000 -1.780) 1.938 11.375 ( -9.720 -0.000 -3.939) 10.488 11.878 ( -3.233 -0.000 -3.288) 4.611 12.149 ( 0.603 0.000 3.284) 3.339 12.262 ( -1.089 -0.000 1.033) 1.501 12.427 ( -3.428 -0.000 -1.439) 3.718 12.546 ( 2.014 0.000 1.488) 2.504 13.902 ( -12.067 -0.000 9.250) 15.204 14.277 ( 5.073 0.000 -1.986) 5.448 15.798 ( 14.243 0.000 -0.244) 14.245 16.169 ( -5.960 -0.000 1.328) 6.106 26.554 ( 0.529 0.000 0.460) 0.701 26.556 ( 0.532 0.000 0.692) 0.873 26.884 ( -0.664 -0.000 0.144) 0.680 26.904 ( 0.073 0.000 -0.428) 0.434 ======================= Grid point 250 (122/251) ======================= q-point: (-0.50 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -9.586 0.989 8.409) 12.789 2.181 ( -11.260 -14.473 4.194) 18.811 2.382 ( -3.428 -2.511 4.606) 6.267 2.664 ( 8.555 -12.032 -3.518) 15.177 3.298 ( 0.480 -6.410 -5.479) 8.446 3.469 ( -0.763 1.304 -16.636) 16.705 3.995 ( -3.245 13.403 3.723) 14.284 4.229 ( -5.032 -3.349 -4.698) 7.656 4.275 ( 4.982 4.001 0.912) 6.454 4.735 ( -5.319 -14.851 -1.448) 15.841 5.026 ( 15.085 -2.799 5.052) 16.153 5.336 ( 1.301 1.751 -1.025) 2.410 5.480 ( 3.771 -4.757 -3.721) 7.120 5.766 ( 1.185 -2.226 1.914) 3.166 5.903 ( -3.885 -1.181 0.096) 4.061 6.255 ( -1.830 2.280 -2.614) 3.922 6.626 ( 1.015 0.737 5.962) 6.093 6.697 ( 4.860 -2.529 6.796) 8.729 7.621 ( -2.469 4.900 2.704) 6.117 7.795 ( 1.945 -3.874 3.163) 5.366 8.009 ( -4.561 3.634 3.945) 7.041 8.199 ( 3.582 6.279 -1.705) 7.428 8.527 ( -0.837 0.975 -6.699) 6.822 8.669 ( -2.059 -3.461 -2.505) 4.743 10.419 ( 2.644 2.722 0.599) 3.842 10.510 ( 3.668 -3.368 3.364) 6.010 10.710 ( 1.505 -2.940 -1.173) 3.505 10.776 ( -1.886 -1.226 -1.952) 2.979 11.298 ( -4.957 0.550 -2.072) 5.401 11.850 ( -3.508 -1.494 -3.770) 5.362 12.117 ( -0.095 4.906 2.316) 5.426 12.217 ( -1.126 2.137 0.709) 2.517 12.446 ( -1.338 -2.599 0.308) 2.939 12.611 ( 1.966 -4.782 0.304) 5.180 13.789 ( -9.881 6.085 8.264) 14.247 14.299 ( 3.590 0.418 -2.986) 4.688 15.874 ( 11.864 4.038 1.390) 12.609 16.133 ( -3.394 -0.450 0.320) 3.438 26.560 ( 0.366 -0.174 0.609) 0.732 26.572 ( 0.795 -0.804 0.808) 1.390 26.866 ( -0.819 1.335 -0.100) 1.570 26.893 ( 0.142 1.096 -0.447) 1.192 ======================= Grid point 251 (123/251) ======================= q-point: (-0.40 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -9.571 -8.453 0.922) 12.802 2.339 ( -14.031 -13.588 -3.778) 19.894 2.462 ( 1.332 -5.579 2.275) 6.170 2.982 ( 8.813 -15.235 -1.297) 17.648 3.258 ( -5.758 5.839 -16.045) 18.020 3.486 ( 3.349 -6.881 -4.213) 8.736 3.797 ( 0.833 7.496 3.197) 8.191 4.238 ( -2.794 -5.197 -7.518) 9.557 4.316 ( 4.283 -1.133 4.540) 6.344 4.870 ( -6.058 -8.150 -5.554) 11.574 5.224 ( 7.805 -0.876 8.050) 11.247 5.346 ( 6.609 -1.760 -0.477) 6.856 5.558 ( -0.951 -4.077 -3.880) 5.708 5.816 ( -1.485 -2.906 -0.630) 3.324 5.935 ( -0.743 -4.162 4.870) 6.449 6.192 ( -1.155 1.959 -1.849) 2.931 6.646 ( -0.278 -0.123 7.370) 7.376 6.821 ( 7.572 -2.783 7.632) 11.105 7.517 ( -4.513 3.895 1.175) 6.076 7.886 ( 3.769 -1.973 1.507) 4.513 7.902 ( -5.740 4.077 2.396) 7.437 8.088 ( 4.203 8.404 0.442) 9.407 8.465 ( -2.611 2.202 -5.119) 6.153 8.703 ( -0.912 -2.361 -4.821) 5.445 10.356 ( -2.785 4.350 2.056) 5.559 10.636 ( 0.526 -7.876 3.475) 8.624 10.762 ( -1.271 -2.735 -3.316) 4.483 10.792 ( 2.412 -1.291 -0.913) 2.885 11.282 ( -0.520 -1.398 2.346) 2.780 11.848 ( -2.448 -1.735 -2.372) 3.825 12.026 ( -1.650 3.989 0.766) 4.384 12.186 ( -0.324 1.377 -0.091) 1.418 12.475 ( 0.785 -0.743 1.652) 1.974 12.727 ( 2.302 -5.324 -0.485) 5.821 13.602 ( -7.209 9.125 5.984) 13.078 14.294 ( 2.203 1.335 -5.215) 5.817 15.839 ( 5.185 7.545 2.879) 9.597 16.142 ( 2.003 -0.691 -0.437) 2.164 26.571 ( 0.189 -0.624 0.636) 0.911 26.600 ( 0.921 -1.171 0.766) 1.675 26.824 ( -0.855 2.357 -0.254) 2.520 26.865 ( 0.142 1.984 -0.457) 2.041 ======================= Grid point 252 (124/251) ======================= q-point: (-0.30 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -7.404 -13.053 -5.143) 15.863 2.414 ( -17.009 -10.819 -4.601) 20.677 2.592 ( 4.256 -4.836 0.295) 6.449 3.043 ( 0.259 7.356 -17.382) 18.877 3.304 ( 7.255 -13.500 -4.384) 15.940 3.576 ( 7.759 2.633 4.044) 9.138 3.777 ( 1.638 -4.114 -6.197) 7.617 4.299 ( -1.060 -5.634 -10.264) 11.756 4.407 ( 4.851 -3.079 6.177) 8.436 4.928 ( -7.029 -5.733 -2.136) 9.319 5.221 ( -0.796 3.466 5.630) 6.659 5.417 ( 2.635 0.732 -2.865) 3.960 5.623 ( -0.771 -5.033 -0.511) 5.118 5.851 ( -2.938 -2.983 1.713) 4.524 6.046 ( 5.978 -2.143 6.133) 8.828 6.175 ( -2.495 -2.914 -1.279) 4.044 6.673 ( -1.618 -0.467 8.802) 8.962 6.954 ( 6.914 -1.929 9.343) 11.782 7.431 ( -4.158 1.470 -1.579) 4.684 7.776 ( -4.893 4.529 -1.678) 6.876 7.935 ( 3.454 2.036 0.620) 4.057 8.011 ( 5.094 3.134 2.404) 6.446 8.373 ( -4.169 3.408 -2.786) 6.063 8.700 ( -0.660 -0.213 -5.548) 5.591 10.261 ( -5.030 2.891 2.624) 6.368 10.770 ( -4.970 -2.186 0.547) 5.457 10.825 ( -2.260 -8.696 -0.209) 8.988 10.833 ( 8.326 -2.113 -1.064) 8.655 11.347 ( 1.685 -3.249 6.089) 7.105 11.845 ( -1.495 -0.088 -0.889) 1.742 11.972 ( -3.084 -0.001 0.602) 3.142 12.159 ( 0.087 1.088 -0.631) 1.261 12.502 ( 0.803 -0.659 2.450) 2.661 12.786 ( 1.545 2.561 2.210) 3.719 13.440 ( -1.748 4.307 0.461) 4.671 14.247 ( 0.969 2.605 -8.546) 8.987 15.731 ( 1.584 8.234 3.731) 9.178 16.168 ( 2.958 -0.003 -0.829) 3.072 26.591 ( 0.117 -1.197 0.589) 1.340 26.631 ( 0.718 -1.276 0.493) 1.545 26.770 ( -0.687 2.823 -0.144) 2.909 26.824 ( 0.058 2.424 -0.509) 2.478 ======================= Grid point 253 (125/251) ======================= q-point: (-0.20 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -2.519 -8.441 -7.820) 11.779 2.450 ( -12.756 -7.798 -2.650) 15.183 2.689 ( 2.441 -2.869 3.659) 5.251 2.903 ( 4.579 2.697 -19.162) 19.885 3.530 ( 4.011 -8.557 -9.114) 13.129 3.589 ( 8.759 3.707 2.332) 9.793 3.853 ( 4.428 -3.114 -7.049) 8.888 4.335 ( 4.465 -1.374 -13.585) 14.366 4.538 ( 4.002 -5.561 4.073) 7.971 4.946 ( -7.682 -2.428 2.048) 8.313 5.161 ( -4.038 3.367 6.064) 8.026 5.374 ( -0.772 2.540 -2.806) 3.862 5.682 ( -2.970 -2.848 0.053) 4.115 5.886 ( -3.343 -2.258 4.767) 6.245 6.120 ( 9.974 2.017 3.815) 10.868 6.239 ( -4.666 -5.785 0.703) 7.466 6.690 ( -2.852 0.281 10.226) 10.620 7.041 ( 0.658 -0.053 10.088) 10.110 7.404 ( 1.312 -1.391 -4.369) 4.770 7.661 ( -4.031 3.295 -2.486) 5.769 7.901 ( 4.194 4.116 -0.583) 5.905 8.043 ( 4.018 -0.928 -0.985) 4.240 8.270 ( -5.444 3.016 0.877) 6.285 8.680 ( 0.361 -0.106 -3.895) 3.913 10.205 ( -3.678 0.615 2.744) 4.630 10.753 ( -4.007 0.482 2.426) 4.709 10.849 ( 4.383 0.610 -4.405) 6.244 11.030 ( 0.112 -9.034 1.653) 9.185 11.460 ( 2.081 -5.312 7.315) 9.276 11.822 ( -2.206 0.519 -0.878) 2.431 11.978 ( -2.654 -2.164 2.549) 4.269 12.167 ( -0.062 -3.040 0.392) 3.066 12.516 ( -1.115 0.518 3.012) 3.253 12.653 ( -1.876 12.220 6.290) 13.871 13.456 ( 5.937 -4.139 -5.659) 9.187 14.161 ( 0.260 3.365 -12.369) 12.821 15.610 ( -0.134 7.110 4.604) 8.472 16.182 ( 1.857 0.008 -1.429) 2.343 26.619 ( 0.180 -1.563 0.422) 1.629 26.656 ( 0.173 -0.764 -0.068) 0.786 26.717 ( -0.311 2.340 0.362) 2.388 26.781 ( -0.009 1.901 -0.510) 1.969 ======================= Grid point 254 (126/251) ======================= q-point: (-0.10 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 5.565 5.841 -6.003) 10.056 2.464 ( -1.942 0.330 3.710) 4.200 2.787 ( -3.772 -6.983 3.701) 8.758 2.909 ( 3.938 -7.224 -21.599) 23.113 3.588 ( 6.567 3.330 -2.068) 7.648 3.608 ( -1.052 -2.786 -7.355) 7.935 3.897 ( 7.976 1.759 -7.391) 11.015 4.338 ( 8.957 0.344 -17.806) 19.935 4.694 ( 3.300 -6.816 3.331) 8.273 4.901 ( -3.863 3.191 3.346) 6.025 5.057 ( -7.075 6.263 5.695) 11.032 5.316 ( 0.679 3.213 0.044) 3.285 5.683 ( -6.358 -1.979 -1.165) 6.759 5.904 ( -3.266 -0.193 6.772) 7.521 6.178 ( 10.388 2.047 3.448) 11.135 6.270 ( -6.906 -2.492 0.683) 7.374 6.687 ( -3.359 1.517 11.208) 11.799 7.033 ( -6.784 0.960 7.206) 9.943 7.472 ( 7.933 -2.788 -3.170) 8.987 7.585 ( -1.621 1.819 -1.506) 2.864 7.853 ( 1.178 2.297 -4.814) 5.462 8.071 ( 2.904 0.603 -6.006) 6.698 8.212 ( -5.165 -1.005 6.716) 8.532 8.697 ( 2.416 -1.628 -1.729) 3.388 10.191 ( -1.649 -0.137 2.535) 3.027 10.709 ( -3.395 2.230 3.649) 5.460 10.842 ( 5.333 2.995 -4.002) 7.309 11.128 ( -1.856 -2.340 0.019) 2.987 11.616 ( 1.836 -6.936 6.876) 9.938 11.792 ( -4.787 -0.510 -0.548) 4.845 12.003 ( -0.619 -0.488 3.980) 4.058 12.300 ( -0.536 -11.301 2.565) 11.601 12.411 ( -3.193 10.768 5.734) 12.610 12.501 ( -2.458 3.099 3.797) 5.483 13.584 ( 7.553 -5.247 -7.150) 11.649 14.062 ( 1.073 2.348 -14.859) 15.082 15.516 ( -0.500 4.807 5.207) 7.104 16.190 ( 0.499 -0.489 -1.750) 1.885 26.639 ( -0.031 1.042 -0.080) 1.045 26.646 ( 0.182 0.598 -0.419) 0.753 26.704 ( -0.179 -0.861 0.908) 1.264 26.765 ( 0.022 -0.473 -0.335) 0.580 ======================= Grid point 260 (127/251) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -15.272 -0.000 3.769) 15.730 1.893 ( -17.129 -0.000 9.548) 19.610 2.386 ( 0.210 0.000 8.305) 8.308 2.605 ( 12.010 0.000 -4.388) 12.787 3.230 ( 0.088 0.000 -2.936) 2.938 3.425 ( -0.851 -0.000 -16.037) 16.060 3.935 ( -21.725 -0.000 -4.492) 22.185 4.331 ( 12.698 0.000 6.241) 14.148 4.391 ( -5.211 -0.000 -5.413) 7.513 4.448 ( -2.063 -0.000 0.239) 2.077 5.148 ( 17.602 0.000 6.687) 18.829 5.351 ( -0.505 -0.000 0.855) 0.993 5.475 ( 8.745 0.000 -8.420) 12.140 5.744 ( -2.397 -0.000 -0.156) 2.402 5.870 ( -2.528 -0.000 1.813) 3.111 6.251 ( -1.825 -0.000 -3.306) 3.776 6.696 ( 2.237 0.000 8.389) 8.682 6.721 ( 8.083 0.000 4.234) 9.125 7.700 ( -3.262 -0.000 0.936) 3.394 7.738 ( 0.768 0.000 6.147) 6.195 8.013 ( -5.676 -0.000 3.208) 6.520 8.299 ( 5.429 0.000 -0.323) 5.439 8.485 ( -4.804 -0.000 -5.928) 7.630 8.613 ( -0.276 -0.000 -3.928) 3.938 10.446 ( -4.418 -0.000 2.096) 4.890 10.511 ( 3.504 0.000 0.250) 3.513 10.710 ( 5.721 0.000 -0.615) 5.754 10.748 ( -1.177 -0.000 -2.681) 2.928 11.278 ( -0.497 -0.000 -0.619) 0.794 11.782 ( -4.515 -0.000 -5.867) 7.403 12.169 ( -0.416 -0.000 3.035) 3.063 12.285 ( 1.542 0.000 2.811) 3.206 12.341 ( -5.397 -0.000 -1.779) 5.683 12.601 ( 3.165 0.000 0.796) 3.264 13.799 ( -8.923 -0.000 8.513) 12.332 14.312 ( 1.125 0.000 -2.375) 2.628 16.034 ( 14.873 0.000 2.479) 15.078 16.093 ( -3.906 -0.000 -0.085) 3.907 26.569 ( 0.775 0.000 0.835) 1.139 26.570 ( 0.527 0.000 0.978) 1.111 26.871 ( -0.908 -0.000 -0.204) 0.931 26.903 ( 0.182 0.000 -0.579) 0.607 ======================= Grid point 261 (128/251) ======================= q-point: (-0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -16.553 -0.931 3.110) 16.869 1.953 ( -19.433 -13.421 2.524) 23.751 2.435 ( 4.390 -1.490 6.420) 7.919 2.806 ( 11.345 -11.100 -1.802) 15.974 3.215 ( -8.047 0.026 -9.283) 12.286 3.377 ( 0.801 -3.639 -7.584) 8.450 3.819 ( -13.452 -4.048 0.045) 14.048 4.170 ( -1.873 7.689 -2.868) 8.417 4.426 ( 9.491 1.947 2.822) 10.091 4.612 ( -4.574 -11.285 -4.321) 12.920 5.303 ( 5.115 0.414 7.129) 8.784 5.379 ( 10.958 -1.465 0.738) 11.080 5.514 ( 4.585 -1.091 -8.372) 9.608 5.736 ( -3.769 -2.968 -2.433) 5.379 5.890 ( 0.499 -2.174 5.374) 5.818 6.213 ( -0.683 1.383 -3.591) 3.908 6.706 ( 3.233 2.675 7.070) 8.221 6.853 ( 8.685 -3.451 6.640) 11.464 7.580 ( -4.949 6.338 2.036) 8.295 7.836 ( -1.254 -4.611 5.056) 6.957 7.950 ( -3.337 3.139 0.841) 4.658 8.267 ( 4.199 6.869 1.833) 8.257 8.432 ( -4.832 -0.141 -6.015) 7.717 8.632 ( 0.288 -3.063 -5.530) 6.328 10.397 ( -6.415 1.756 1.060) 6.735 10.531 ( -1.862 -1.604 2.312) 3.374 10.726 ( 1.201 -0.651 -3.000) 3.296 10.788 ( 5.280 -2.222 -3.095) 6.511 11.293 ( 3.560 -0.170 3.741) 5.167 11.759 ( -3.596 -3.268 -5.846) 7.601 12.113 ( -2.199 6.159 2.032) 6.848 12.218 ( 0.353 2.074 0.936) 2.302 12.424 ( -1.758 -5.487 1.612) 5.983 12.658 ( 3.683 -3.676 -0.918) 5.285 13.708 ( -7.654 5.840 7.972) 12.500 14.300 ( -0.998 0.487 -3.078) 3.272 16.012 ( 2.321 5.651 0.865) 6.170 16.168 ( 9.416 -0.197 2.287) 9.692 26.571 ( 0.361 0.111 0.914) 0.989 26.592 ( 0.909 -0.909 0.948) 1.597 26.850 ( -0.906 1.327 -0.291) 1.632 26.892 ( 0.191 1.085 -0.625) 1.267 ======================= Grid point 262 (129/251) ======================= q-point: (-0.30 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -14.318 -10.754 -2.001) 18.019 2.032 ( -21.271 -13.057 -1.243) 24.990 2.553 ( 6.671 -4.321 3.425) 8.655 3.061 ( -4.217 -1.829 -9.792) 10.817 3.126 ( 11.077 -8.361 -9.162) 16.630 3.520 ( -2.316 -11.511 3.730) 12.320 3.804 ( 0.300 1.618 -1.303) 2.099 4.105 ( -4.127 -4.481 -4.081) 7.332 4.467 ( 4.693 0.401 4.354) 6.414 4.724 ( -4.037 -7.264 -6.600) 10.613 5.270 ( -4.371 3.262 2.782) 6.123 5.460 ( 4.784 1.608 -3.254) 6.005 5.578 ( 6.653 -3.302 -1.799) 7.642 5.783 ( -0.660 -3.672 1.774) 4.131 5.995 ( 2.064 -5.865 5.667) 8.413 6.183 ( 2.819 1.036 -3.106) 4.320 6.708 ( 1.033 1.852 7.864) 8.144 7.005 ( 8.134 -2.624 8.939) 12.368 7.440 ( -5.576 4.272 -0.791) 7.068 7.805 ( -7.640 3.975 1.754) 8.789 7.950 ( 3.687 -1.396 0.099) 3.944 8.179 ( 4.634 7.263 4.339) 9.647 8.361 ( -5.438 1.315 -5.282) 7.695 8.659 ( 0.328 -1.761 -7.201) 7.421 10.286 ( -6.664 3.967 1.062) 7.828 10.596 ( -5.660 -7.786 3.062) 10.101 10.748 ( -0.302 -1.715 -1.450) 2.266 10.857 ( 6.848 -2.075 -4.802) 8.618 11.365 ( 6.063 -0.933 7.642) 9.799 11.787 ( -2.462 -3.756 -3.907) 5.952 11.992 ( -3.114 4.717 0.712) 5.697 12.196 ( 1.292 1.991 0.656) 2.462 12.488 ( -0.778 -2.283 2.641) 3.577 12.776 ( 4.723 -5.172 -2.199) 7.341 13.545 ( -5.345 8.143 6.063) 11.473 14.254 ( -2.614 1.528 -5.171) 5.993 15.915 ( 3.229 8.049 1.445) 8.792 16.216 ( 5.985 2.245 1.933) 6.678 26.579 ( 0.076 -0.452 0.833) 0.951 26.619 ( 0.810 -0.981 0.621) 1.415 26.810 ( -0.707 2.236 -0.159) 2.350 26.863 ( 0.134 2.017 -0.648) 2.123 ======================= Grid point 263 (130/251) ======================= q-point: (-0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -10.221 -16.508 -7.174) 20.699 2.107 ( -18.584 -14.141 -0.090) 23.353 2.689 ( 6.734 -3.221 1.309) 7.579 2.971 ( 5.445 3.853 -16.132) 17.457 3.373 ( 7.976 -9.458 -7.894) 14.676 3.694 ( 0.415 -1.448 4.332) 4.586 3.803 ( 4.136 -5.471 -1.465) 7.013 4.181 ( -3.408 -7.900 -5.709) 10.326 4.539 ( 3.509 -3.307 4.125) 6.346 4.768 ( -6.464 -4.963 -6.420) 10.375 5.168 ( -7.411 3.074 1.652) 8.192 5.438 ( 3.417 2.918 -1.857) 4.862 5.658 ( 2.818 -1.677 -1.557) 3.630 5.845 ( -0.260 -1.930 5.623) 5.951 6.115 ( -2.594 -4.808 1.283) 5.612 6.230 ( 10.358 -0.978 2.042) 10.602 6.710 ( -1.942 0.763 9.539) 9.765 7.098 ( 0.670 1.618 11.456) 11.589 7.371 ( 0.959 -1.335 -5.419) 5.663 7.676 ( -6.399 3.750 -0.356) 7.426 7.973 ( 2.103 1.474 -2.678) 3.710 8.124 ( 5.445 4.911 5.316) 9.056 8.270 ( -5.660 2.086 -3.127) 6.795 8.655 ( 0.228 -0.778 -6.769) 6.818 10.197 ( -4.523 1.179 2.189) 5.162 10.698 ( -5.003 -5.218 2.351) 7.601 10.774 ( -3.252 -4.324 -1.758) 5.689 10.958 ( 8.328 -4.169 -2.285) 9.590 11.457 ( 5.285 -1.101 8.815) 10.337 11.807 ( -2.083 -0.906 -1.582) 2.768 11.920 ( -3.698 -0.257 0.077) 3.708 12.174 ( 1.698 1.695 0.588) 2.470 12.517 ( -1.081 -0.632 3.273) 3.504 12.824 ( 1.045 4.594 2.004) 5.120 13.442 ( 2.239 0.845 -0.845) 2.538 14.169 ( -3.237 2.732 -8.421) 9.426 15.787 ( 2.735 9.536 2.790) 10.305 16.210 ( 2.076 1.982 0.354) 2.892 26.596 ( -0.090 -1.180 0.659) 1.355 26.642 ( 0.336 -0.899 0.076) 0.963 26.762 ( -0.377 2.593 0.200) 2.628 26.821 ( 0.118 2.463 -0.610) 2.540 ======================= Grid point 264 (131/251) ======================= q-point: (-0.10 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -5.081 -15.649 -9.547) 19.022 2.257 ( -11.024 -14.762 2.827) 18.640 2.757 ( 4.595 0.625 -2.649) 5.341 2.915 ( 11.377 3.962 -11.730) 16.814 3.499 ( -0.005 -3.191 -7.722) 8.355 3.678 ( 5.701 1.454 -7.280) 9.360 3.958 ( 7.537 -2.772 1.587) 8.186 4.292 ( 0.440 -7.446 -7.339) 10.465 4.632 ( 5.990 -2.084 -4.092) 7.548 4.790 ( -12.013 -7.937 2.319) 14.584 5.067 ( -7.324 2.689 1.901) 8.031 5.396 ( 2.208 3.945 0.090) 4.522 5.670 ( 1.659 1.533 -2.039) 3.043 5.888 ( -1.777 -1.569 6.930) 7.325 6.162 ( -3.258 -3.340 0.766) 4.729 6.331 ( 10.252 1.425 4.349) 11.227 6.715 ( -3.531 0.329 11.279) 11.823 7.043 ( -6.812 3.616 6.971) 10.396 7.459 ( 7.762 -4.458 -2.940) 9.421 7.582 ( -4.530 1.515 -0.507) 4.803 7.911 ( 0.600 4.439 -5.856) 7.373 8.114 ( 4.154 2.879 -1.939) 5.413 8.189 ( -5.305 0.888 4.366) 6.928 8.665 ( 0.922 -2.151 -3.868) 4.521 10.181 ( -1.558 -0.637 2.817) 3.282 10.710 ( -3.518 -0.248 2.634) 4.401 10.833 ( -2.121 -4.430 -3.361) 5.951 11.094 ( 6.075 -3.343 -0.074) 6.935 11.554 ( 2.312 -3.339 8.626) 9.534 11.772 ( -2.567 1.485 -1.245) 3.216 11.952 ( -2.706 -4.905 2.036) 5.960 12.185 ( 1.442 -2.079 1.240) 2.818 12.506 ( -2.577 2.084 3.432) 4.771 12.655 ( -3.422 12.119 6.472) 14.158 13.529 ( 7.931 -4.952 -6.840) 11.584 14.061 ( -1.497 2.669 -11.966) 12.351 15.651 ( 1.180 8.124 3.977) 9.122 16.191 ( 0.234 0.899 -1.084) 1.428 26.623 ( -0.056 -1.694 0.422) 1.747 26.654 ( -0.111 -0.236 -0.510) 0.572 26.718 ( -0.178 1.971 0.683) 2.094 26.779 ( 0.195 1.903 -0.468) 1.969 ======================= Grid point 271 (132/251) ======================= q-point: (-0.40 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -20.506 -0.000 0.792) 20.521 1.641 ( -21.649 -0.000 8.592) 23.292 2.500 ( 5.856 0.000 9.750) 11.374 2.794 ( 13.027 0.000 -0.707) 13.046 3.070 ( -22.361 -0.000 -2.037) 22.454 3.309 ( 0.413 0.000 -14.766) 14.772 3.682 ( -4.721 -0.000 3.766) 6.039 4.254 ( -6.553 -0.000 -5.184) 8.355 4.368 ( -3.565 -0.000 -7.595) 8.390 4.602 ( 13.712 0.000 5.976) 14.958 5.342 ( -0.341 -0.000 3.957) 3.972 5.500 ( 17.611 0.000 4.638) 18.212 5.507 ( 3.125 0.000 -9.023) 9.549 5.647 ( -6.255 -0.000 -4.608) 7.769 5.904 ( 3.020 0.000 5.129) 5.952 6.203 ( -0.612 -0.000 -4.778) 4.817 6.803 ( 4.589 0.000 6.296) 7.790 6.906 ( 10.624 0.000 6.218) 12.310 7.622 ( -8.511 -0.000 2.294) 8.815 7.781 ( -0.704 -0.000 7.016) 7.051 7.959 ( -1.950 -0.000 0.709) 2.075 8.355 ( -5.990 -0.000 -5.238) 7.957 8.392 ( 5.099 0.000 2.343) 5.611 8.573 ( -0.652 -0.000 -7.349) 7.378 10.337 ( -8.667 -0.000 1.193) 8.749 10.546 ( -0.177 -0.000 0.723) 0.745 10.717 ( 0.438 0.000 -3.093) 3.124 10.782 ( 3.799 0.000 -5.519) 6.700 11.351 ( 7.089 0.000 6.735) 9.778 11.669 ( -3.567 -0.000 -7.477) 8.285 12.187 ( -0.202 -0.000 3.619) 3.625 12.244 ( -5.454 -0.000 -0.883) 5.525 12.333 ( 1.635 0.000 3.676) 4.023 12.650 ( 3.299 0.000 -1.672) 3.699 13.731 ( -7.229 -0.000 8.483) 11.146 14.277 ( -3.675 -0.000 -2.063) 4.215 16.054 ( -0.048 -0.000 -1.656) 1.657 16.305 ( 16.091 0.000 5.684) 17.065 26.586 ( 0.573 0.000 1.153) 1.287 26.587 ( 0.769 0.000 0.886) 1.173 26.854 ( -0.908 -0.000 -0.318) 0.962 26.902 ( 0.254 0.000 -0.703) 0.747 ======================= Grid point 272 (133/251) ======================= q-point: (-0.30 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -20.033 -3.049 2.297) 20.393 1.634 ( -22.858 -11.452 4.040) 25.883 2.584 ( 7.549 -0.543 7.886) 10.930 2.876 ( -22.285 -7.410 3.463) 23.739 3.031 ( 10.931 -8.492 -6.130) 15.138 3.309 ( -0.960 -5.027 -8.683) 10.079 3.757 ( 3.763 -5.268 3.524) 7.371 4.099 ( -4.010 5.300 -5.063) 8.355 4.395 ( -6.476 -5.766 -7.094) 11.203 4.706 ( 10.934 1.082 2.762) 11.329 5.306 ( -3.674 3.803 1.857) 5.604 5.494 ( 2.249 0.385 -7.046) 7.406 5.579 ( 2.247 -0.905 -0.925) 2.593 5.721 ( 7.382 -5.715 2.898) 9.775 5.965 ( 3.587 -1.937 4.309) 5.931 6.190 ( 1.957 -0.624 -5.241) 5.629 6.812 ( 4.239 4.245 5.771) 8.324 7.051 ( 9.985 -3.006 7.336) 12.750 7.482 ( -9.328 6.000 2.164) 11.300 7.807 ( -5.917 1.175 6.170) 8.629 7.958 ( 3.394 -0.918 -0.538) 3.557 8.286 ( -3.943 1.050 -3.982) 5.701 8.371 ( 2.215 5.282 1.867) 6.025 8.586 ( -0.302 -3.631 -8.448) 9.200 10.278 ( -7.749 0.705 -0.317) 7.788 10.498 ( -4.321 0.988 2.026) 4.874 10.721 ( 0.260 -0.534 -2.448) 2.520 10.825 ( 3.124 -3.984 -6.406) 8.165 11.449 ( 9.624 -0.068 9.405) 13.457 11.668 ( -2.018 -4.647 -6.865) 8.532 12.079 ( -3.599 6.982 2.016) 8.110 12.238 ( 1.022 0.473 1.471) 1.853 12.421 ( -0.646 -5.009 3.442) 6.112 12.707 ( 4.501 -4.457 -3.663) 7.317 13.653 ( -6.372 5.613 8.526) 12.033 14.228 ( -5.474 0.606 -2.595) 6.088 16.034 ( 2.647 2.631 -1.883) 4.180 16.390 ( 13.025 6.562 6.013) 15.776 26.583 ( 0.230 0.444 0.979) 1.100 26.611 ( 0.753 -0.879 0.655) 1.330 26.835 ( -0.719 1.197 -0.168) 1.406 26.891 ( 0.257 1.133 -0.686) 1.349 ======================= Grid point 273 (134/251) ======================= q-point: (-0.20 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -15.619 -13.168 -1.836) 20.512 1.693 ( -21.126 -14.212 3.211) 25.664 2.695 ( 6.782 -3.048 3.436) 8.191 2.916 ( -6.343 -9.063 -3.996) 11.762 3.275 ( 11.213 -8.728 -6.133) 15.477 3.430 ( -7.222 -13.630 2.958) 15.706 3.838 ( 4.403 2.818 -3.963) 6.560 4.058 ( 0.380 -5.207 -2.412) 5.751 4.412 ( -9.305 -5.750 -0.330) 10.943 4.758 ( 9.265 1.818 -5.048) 10.706 5.189 ( -5.635 4.553 0.926) 7.303 5.485 ( 2.412 0.587 -4.523) 5.160 5.625 ( 0.395 -2.691 -0.165) 2.725 5.853 ( 4.564 -1.603 4.050) 6.309 6.042 ( 0.634 -2.836 2.280) 3.694 6.255 ( 7.947 -4.075 -2.054) 9.164 6.775 ( 0.504 4.208 7.641) 8.738 7.178 ( 2.914 0.863 12.293) 12.663 7.339 ( -3.476 1.015 -4.516) 5.788 7.696 ( -7.968 4.621 2.260) 9.484 8.002 ( 3.428 0.388 -1.241) 3.666 8.230 ( -3.080 0.741 -5.075) 5.982 8.296 ( 2.542 6.024 5.928) 8.826 8.606 ( 0.260 -2.062 -9.872) 10.088 10.188 ( -5.654 1.678 0.311) 5.906 10.531 ( -5.266 -7.144 3.473) 9.530 10.713 ( -2.299 -0.657 -2.589) 3.524 10.922 ( 5.231 -5.031 -4.382) 8.478 11.549 ( 8.358 0.800 9.433) 12.628 11.727 ( -0.729 -4.447 -4.270) 6.208 11.946 ( -3.368 5.224 1.403) 6.372 12.230 ( 2.077 2.108 1.086) 3.152 12.495 ( -0.830 -2.420 3.728) 4.521 12.837 ( 5.417 -4.950 -4.182) 8.446 13.519 ( -2.959 6.328 6.199) 9.340 14.150 ( -5.850 1.673 -4.827) 7.766 15.979 ( 4.744 6.781 -0.692) 8.304 16.324 ( 3.847 8.779 4.354) 10.527 26.583 ( -0.257 -0.248 0.788) 0.865 26.631 ( 0.325 -0.678 -0.004) 0.752 26.801 ( -0.389 2.020 0.176) 2.064 26.862 ( 0.293 2.065 -0.555) 2.158 ======================= Grid point 274 (135/251) ======================= q-point: (-0.10 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -9.296 -19.298 -7.361) 22.650 1.864 ( -13.794 -18.497 5.893) 23.815 2.797 ( 6.593 -1.251 -2.072) 7.023 3.010 ( 9.580 -1.426 -7.056) 11.984 3.447 ( 7.478 -4.018 -7.940) 11.624 3.655 ( -6.504 -10.007 2.444) 12.183 3.801 ( -4.187 -7.169 -1.260) 8.397 4.162 ( 5.117 -3.966 -5.963) 8.801 4.509 ( -8.807 -11.603 9.034) 17.140 4.728 ( 6.761 5.442 -14.122) 16.576 5.088 ( -3.104 3.290 2.052) 4.967 5.472 ( 2.652 2.336 -2.104) 4.113 5.668 ( -0.556 -2.291 -1.063) 2.586 5.891 ( 0.898 0.450 4.023) 4.146 6.095 ( -1.016 -2.699 2.170) 3.609 6.406 ( 9.480 -3.474 1.804) 10.257 6.736 ( -3.492 1.843 10.172) 10.911 7.101 ( -6.489 5.834 7.014) 11.196 7.410 ( 4.956 -5.489 -1.614) 7.569 7.577 ( -5.977 2.465 0.638) 6.496 7.971 ( 1.318 3.829 -5.147) 6.549 8.166 ( -3.085 1.826 -4.721) 5.927 8.242 ( 3.027 5.008 7.546) 9.549 8.614 ( 0.850 -2.164 -7.709) 8.052 10.160 ( -1.952 -1.175 2.214) 3.177 10.646 ( -3.919 -6.812 3.011) 8.416 10.703 ( -3.707 -2.628 -2.599) 5.235 11.056 ( 5.838 -6.056 -2.237) 8.704 11.611 ( 5.397 1.952 9.166) 10.815 11.770 ( -0.621 -1.486 -1.405) 2.138 11.864 ( -3.188 0.130 0.291) 3.204 12.212 ( 2.238 1.876 0.960) 3.074 12.521 ( -1.303 0.040 3.827) 4.043 12.837 ( -1.824 7.446 3.336) 8.361 13.497 ( 6.253 -2.203 -3.152) 7.341 14.050 ( -3.648 2.240 -8.518) 9.533 15.848 ( 2.024 10.819 2.665) 11.324 16.225 ( -0.787 3.702 0.619) 3.835 26.595 ( -0.489 -1.213 0.516) 1.407 26.642 ( -0.085 -0.632 -0.494) 0.807 26.760 ( -0.206 2.410 0.497) 2.469 26.821 ( 0.409 2.493 -0.360) 2.552 ======================= Grid point 282 (136/251) ======================= q-point: (-0.30 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -22.849 -0.000 2.942) 23.038 1.356 ( -22.401 -0.000 11.601) 25.227 2.528 ( -41.143 -0.000 9.216) 42.163 2.687 ( 8.264 0.000 10.910) 13.687 3.048 ( 16.514 0.000 -2.618) 16.720 3.258 ( 5.780 0.000 -13.432) 14.623 3.767 ( 7.365 0.000 5.893) 9.433 4.100 ( -8.341 -0.000 -5.895) 10.214 4.250 ( -3.217 -0.000 -10.387) 10.873 4.811 ( 7.775 0.000 2.765) 8.252 5.345 ( -2.635 -0.000 3.771) 4.600 5.477 ( 0.044 0.000 -7.792) 7.792 5.534 ( -2.735 -0.000 -2.386) 3.629 5.773 ( 12.104 0.000 4.250) 12.828 5.993 ( 3.930 0.000 2.321) 4.564 6.175 ( 2.553 0.000 -6.819) 7.281 6.914 ( 5.470 0.000 2.133) 5.871 7.129 ( 11.828 0.000 5.566) 13.072 7.471 ( -12.945 -0.000 5.223) 13.959 7.832 ( 0.813 0.000 10.639) 10.670 7.961 ( 1.798 0.000 -1.062) 2.088 8.243 ( -3.235 -0.000 -5.394) 6.289 8.467 ( -5.510 -0.000 -11.660) 12.897 8.483 ( 3.623 0.000 3.809) 5.257 10.217 ( -6.873 -0.000 -0.177) 6.875 10.508 ( -3.640 -0.000 -1.512) 3.942 10.727 ( 2.178 0.000 -1.152) 2.464 10.729 ( -4.739 -0.000 -7.683) 9.026 11.575 ( 12.720 0.000 10.944) 16.780 11.578 ( -1.029 -0.000 -7.785) 7.852 12.166 ( -4.099 -0.000 1.013) 4.222 12.208 ( -0.990 -0.000 4.711) 4.814 12.388 ( 2.203 0.000 3.629) 4.245 12.681 ( 3.440 0.000 -4.746) 5.862 13.688 ( -5.790 -0.000 9.721) 11.315 14.175 ( -7.424 -0.000 -1.215) 7.523 16.069 ( 3.702 0.000 -2.713) 4.590 16.616 ( 17.679 0.000 6.010) 18.672 26.602 ( 0.456 0.000 0.758) 0.885 26.602 ( 0.460 0.000 0.506) 0.683 26.840 ( -0.616 -0.000 -0.065) 0.619 26.902 ( 0.371 0.000 -0.588) 0.696 ======================= Grid point 283 (137/251) ======================= q-point: (-0.20 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -19.813 -5.300 6.366) 21.475 1.323 ( -21.440 -9.675 10.183) 25.631 2.421 ( -33.908 -18.636 11.542) 40.377 2.787 ( 8.154 -0.748 9.083) 12.229 3.214 ( 11.180 -3.545 -4.647) 12.616 3.317 ( 11.507 -4.997 -7.868) 14.808 3.891 ( 8.033 -2.641 2.234) 8.746 3.968 ( -7.596 1.289 -5.383) 9.399 4.246 ( -5.041 -4.674 -7.491) 10.167 4.846 ( 5.092 1.517 -1.641) 5.560 5.251 ( -4.166 5.980 2.065) 7.575 5.467 ( -0.102 -1.473 -6.306) 6.477 5.571 ( 0.020 -3.329 1.294) 3.572 5.880 ( 6.441 -1.294 3.050) 7.243 6.031 ( 2.087 -0.755 0.769) 2.348 6.217 ( 6.336 -4.058 -5.635) 9.400 6.908 ( 4.065 5.351 1.950) 6.997 7.249 ( 8.571 -1.400 5.591) 10.329 7.337 ( -11.075 4.847 5.190) 13.156 7.755 ( -6.370 8.507 5.776) 12.096 8.030 ( 5.630 -1.501 0.825) 5.884 8.202 ( -1.125 0.605 -5.761) 5.901 8.392 ( -2.256 -0.458 -2.866) 3.676 8.527 ( 0.638 -1.608 -4.469) 4.792 10.162 ( -6.053 0.609 -1.472) 6.259 10.432 ( -5.415 0.230 2.065) 5.799 10.673 ( -3.665 -0.768 -5.066) 6.300 10.822 ( 1.378 -7.145 -3.263) 7.975 11.581 ( 0.157 -2.908 -4.636) 5.475 11.723 ( 12.584 -0.239 7.996) 14.911 12.040 ( -3.169 7.058 3.315) 8.417 12.267 ( 0.918 -1.087 2.448) 2.831 12.451 ( 1.116 -3.275 3.980) 5.274 12.747 ( 5.061 -6.149 -6.865) 10.515 13.632 ( -3.889 5.330 10.278) 12.214 14.105 ( -7.670 0.589 -1.784) 7.896 16.081 ( 5.261 1.651 -2.818) 6.192 16.621 ( 9.997 14.484 4.537) 18.175 26.589 ( -0.278 0.792 0.540) 0.998 26.621 ( 0.198 -0.664 -0.215) 0.726 26.827 ( -0.331 1.037 0.232) 1.113 26.893 ( 0.487 1.167 -0.344) 1.310 ======================= Grid point 284 (138/251) ======================= q-point: (-0.10 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -12.855 -15.178 1.771) 19.969 1.454 ( -14.362 -17.230 11.449) 25.183 2.669 ( -12.481 -21.549 5.818) 25.573 2.929 ( 5.553 -6.737 7.104) 11.256 3.311 ( 3.422 -5.219 -4.424) 7.650 3.505 ( 12.344 -4.358 -4.737) 13.922 3.796 ( -4.742 4.872 -8.390) 10.799 4.088 ( 4.645 -7.408 -4.015) 9.622 4.294 ( -5.357 -7.658 4.297) 10.286 4.823 ( 4.476 3.715 -9.890) 11.474 5.142 ( -1.905 3.932 2.501) 5.034 5.486 ( 0.986 -2.283 -3.013) 3.907 5.610 ( -1.593 -1.117 -0.115) 1.949 5.927 ( 2.456 0.577 1.341) 2.857 6.060 ( -0.148 -1.559 1.221) 1.986 6.372 ( 7.574 -7.149 -1.605) 10.538 6.818 ( -1.903 6.374 6.866) 9.560 7.183 ( -6.569 5.929 6.726) 11.116 7.356 ( 3.059 -3.166 1.909) 4.798 7.576 ( -8.805 3.802 1.336) 9.684 8.040 ( 2.736 3.420 -2.368) 4.979 8.160 ( -0.098 1.357 -5.501) 5.667 8.381 ( 1.835 4.116 6.423) 7.847 8.545 ( 1.890 -2.945 -10.717) 11.274 10.123 ( -3.011 -1.401 0.762) 3.407 10.479 ( -4.399 -7.442 3.690) 9.399 10.646 ( -3.182 -0.933 -4.031) 5.219 10.960 ( 2.630 -7.464 -2.932) 8.440 11.636 ( -0.189 -4.217 -1.592) 4.511 11.804 ( 8.583 3.427 6.252) 11.158 11.914 ( -2.171 5.500 2.525) 6.430 12.273 ( 2.349 2.032 1.203) 3.330 12.515 ( -0.150 -1.491 3.861) 4.141 12.880 ( 3.748 -3.451 -4.755) 6.969 13.552 ( 2.446 4.083 5.691) 7.419 14.024 ( -5.110 1.262 -4.714) 7.066 16.052 ( 4.880 6.934 -1.267) 8.573 16.358 ( -4.342 14.368 4.022) 15.540 26.579 ( -0.907 -0.180 0.402) 1.008 26.629 ( -0.197 -0.508 -0.722) 0.905 26.800 ( -0.147 1.914 0.500) 1.984 26.867 ( 0.583 2.110 -0.117) 2.192 ======================= Grid point 293 (139/251) ======================= q-point: (-0.20 -0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -16.809 -0.000 14.780) 22.382 1.124 ( -18.679 -0.000 18.017) 25.952 1.956 ( -41.247 -0.000 18.862) 45.355 2.887 ( 6.552 0.000 11.878) 13.565 3.294 ( 15.155 0.000 -0.058) 15.156 3.317 ( 12.548 0.000 -11.699) 17.155 3.913 ( -9.434 -0.000 -7.047) 11.775 3.915 ( 5.729 0.000 -0.490) 5.750 4.149 ( -0.296 -0.000 -5.615) 5.623 4.868 ( -0.046 -0.000 -2.483) 2.483 5.299 ( -6.953 -0.000 4.127) 8.085 5.400 ( -0.731 -0.000 -9.628) 9.656 5.561 ( 3.209 0.000 4.584) 5.595 5.925 ( 4.684 0.000 2.028) 5.104 6.038 ( 0.901 0.000 -1.023) 1.364 6.204 ( 7.066 0.000 -7.128) 10.037 6.986 ( 3.405 0.000 -4.162) 5.377 7.311 ( 7.553 0.000 -0.276) 7.558 7.327 ( -10.435 -0.000 10.599) 14.874 7.985 ( 2.396 0.000 -2.413) 3.400 8.013 ( 11.970 0.000 15.999) 19.981 8.168 ( -7.625 -0.000 -9.589) 12.251 8.221 ( -8.220 -0.000 -12.457) 14.925 8.551 ( 1.229 0.000 4.149) 4.327 10.113 ( -5.624 -0.000 -1.852) 5.921 10.432 ( -3.468 -0.000 -3.236) 4.743 10.547 ( -12.164 -0.000 -3.517) 12.662 10.755 ( 1.525 0.000 0.058) 1.526 11.539 ( 2.385 0.000 -6.538) 6.959 11.861 ( 12.963 0.000 7.570) 15.011 12.154 ( 1.630 0.000 5.070) 5.326 12.215 ( -2.645 -0.000 5.494) 6.098 12.452 ( 2.860 0.000 3.053) 4.183 12.692 ( 3.433 0.000 -7.966) 8.675 13.700 ( -1.215 -0.000 12.154) 12.214 14.042 ( -8.243 -0.000 0.010) 8.243 16.127 ( 5.782 0.000 -2.815) 6.431 16.889 ( 12.179 0.000 -3.329) 12.626 26.603 ( -0.612 -0.000 -0.748) 0.966 26.607 ( -0.070 -0.000 -0.188) 0.201 26.835 ( -0.115 -0.000 0.483) 0.497 26.908 ( 0.659 0.000 -0.026) 0.659 ======================= Grid point 294 (140/251) ======================= q-point: (-0.10 -0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -11.771 -3.173 18.515) 22.168 1.138 ( -13.523 -10.371 19.371) 25.800 2.033 ( -26.725 -29.189 20.814) 44.715 2.964 ( 5.262 0.026 9.675) 11.013 3.341 ( 12.242 1.494 -6.771) 14.070 3.512 ( 14.736 -5.968 -4.072) 16.412 3.771 ( -9.710 2.745 -7.444) 12.539 3.983 ( 1.806 -5.362 -8.011) 9.808 4.189 ( 2.218 -3.273 2.243) 4.546 4.848 ( -0.493 0.415 -5.389) 5.427 5.201 ( -4.832 3.893 2.293) 6.615 5.399 ( -2.373 -3.186 -7.726) 8.688 5.615 ( 2.585 -0.505 4.487) 5.203 5.956 ( 2.134 0.257 0.572) 2.224 6.036 ( -1.167 -0.628 -1.367) 1.904 6.295 ( 7.156 -5.695 -4.879) 10.366 6.935 ( -1.992 5.231 -1.129) 5.710 7.254 ( -3.102 4.322 6.884) 8.700 7.369 ( 2.738 -0.463 2.838) 3.971 7.630 ( -15.200 14.314 1.654) 20.944 8.100 ( -0.000 0.823 -2.638) 2.763 8.178 ( 2.631 1.603 -6.653) 7.332 8.359 ( 9.184 -10.201 -2.654) 13.980 8.541 ( 0.316 2.593 2.148) 3.382 10.071 ( -4.178 -1.076 -0.612) 4.358 10.366 ( -4.994 -1.865 3.231) 6.234 10.550 ( -6.004 -5.301 -5.994) 10.004 10.825 ( 0.583 -6.555 -0.954) 6.650 11.566 ( 2.844 -2.506 -4.542) 5.916 11.947 ( 7.315 1.594 3.483) 8.257 12.044 ( -0.053 9.062 7.307) 11.641 12.311 ( 2.988 -1.560 2.788) 4.375 12.500 ( 1.358 -1.628 3.241) 3.872 12.772 ( 5.286 -8.063 -9.693) 13.671 13.698 ( 3.629 5.332 11.560) 13.237 13.983 ( -5.632 0.036 -0.983) 5.717 16.154 ( 6.005 1.453 -2.581) 6.696 16.679 ( -6.868 22.177 -2.853) 23.391 26.576 ( -1.472 0.819 -0.330) 1.717 26.614 ( -0.438 -0.595 -1.017) 1.257 26.828 ( 0.081 1.050 0.716) 1.273 26.902 ( 0.659 1.229 0.146) 1.402 ======================= Grid point 304 (141/251) ======================= q-point: (-0.10 -0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 1.298 0.000 28.726) 28.756 1.044 ( -9.456 -0.000 25.129) 26.850 1.559 ( -27.025 -0.000 30.590) 40.818 3.031 ( 0.201 0.000 12.823) 12.825 3.484 ( 17.582 0.000 -10.820) 20.645 3.507 ( 10.419 0.000 1.342) 10.505 3.724 ( -6.966 -0.000 -8.321) 10.852 3.861 ( -4.244 -0.000 -12.131) 12.852 4.218 ( 6.827 0.000 2.040) 7.125 4.818 ( -2.402 -0.000 -3.214) 4.012 5.189 ( -9.366 -0.000 3.371) 9.954 5.327 ( 0.943 0.000 -12.940) 12.974 5.648 ( 1.414 0.000 7.525) 7.656 5.973 ( 1.019 0.000 0.341) 1.074 6.008 ( -2.473 -0.000 -2.875) 3.792 6.277 ( 7.115 0.000 -5.959) 9.281 6.941 ( -5.316 -0.000 -2.193) 5.750 7.326 ( 1.362 0.000 8.545) 8.653 7.370 ( 2.495 0.000 -2.623) 3.620 7.680 ( -33.480 -0.000 -11.042) 35.254 7.999 ( 1.851 0.000 -3.452) 3.917 8.206 ( 4.866 0.000 -5.664) 7.467 8.413 ( 24.286 0.000 7.053) 25.289 8.572 ( -2.045 -0.000 3.521) 4.072 10.024 ( -3.586 -0.000 -0.049) 3.586 10.351 ( -11.429 -0.000 3.844) 12.059 10.366 ( -1.583 -0.000 -3.857) 4.169 10.773 ( 0.831 0.000 0.021) 0.831 11.565 ( 5.400 0.000 -4.098) 6.780 12.007 ( 3.025 0.000 1.970) 3.610 12.199 ( -3.930 -0.000 5.377) 6.661 12.313 ( 10.022 0.000 4.927) 11.167 12.509 ( 1.597 0.000 2.378) 2.864 12.682 ( 3.694 0.000 -10.779) 11.395 13.850 ( 10.649 0.000 11.099) 15.382 13.935 ( -5.321 -0.000 1.328) 5.485 16.204 ( 5.746 0.000 -1.971) 6.075 16.797 ( -19.469 -0.000 -15.299) 24.761 26.569 ( -2.369 -0.000 -1.372) 2.738 26.598 ( -0.538 -0.000 -0.800) 0.964 26.842 ( 0.328 0.000 0.982) 1.035 26.919 ( 0.511 0.000 0.221) 0.557 ======================= Grid point 305 (142/251) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.962 -0.000 25.870) 25.888 1.726 ( 2.342 0.000 26.901) 27.003 2.371 ( 6.509 0.000 29.269) 29.984 3.120 ( -4.715 -0.000 -16.717) 17.370 3.298 ( -6.446 -0.000 -15.068) 16.389 3.402 ( -1.908 -0.000 10.058) 10.237 3.644 ( 12.282 0.000 -3.698) 12.827 3.742 ( 1.388 0.000 3.437) 3.707 4.249 ( 4.294 0.000 -5.686) 7.125 4.674 ( 0.955 0.000 -18.067) 18.092 4.958 ( 3.433 0.000 -2.758) 4.404 5.076 ( -8.867 -0.000 -0.675) 8.893 5.789 ( -7.085 -0.000 5.735) 9.115 5.956 ( -3.844 -0.000 -0.075) 3.845 5.957 ( 0.836 0.000 0.895) 1.224 6.216 ( 7.040 0.000 -6.674) 9.700 6.953 ( -3.981 -0.000 6.907) 7.972 7.144 ( -22.358 -0.000 1.103) 22.385 7.370 ( 3.874 0.000 0.244) 3.881 7.475 ( 3.904 0.000 0.021) 3.904 7.929 ( 0.972 0.000 -2.515) 2.696 8.156 ( 8.556 0.000 -6.586) 10.797 8.566 ( -6.478 -0.000 0.994) 6.554 8.651 ( 10.216 0.000 -4.062) 10.994 10.085 ( 2.805 0.000 1.876) 3.374 10.252 ( 0.705 0.000 -3.834) 3.898 10.395 ( -4.536 -0.000 7.511) 8.774 10.752 ( 1.205 0.000 -2.741) 2.994 11.668 ( 7.114 0.000 3.753) 8.043 12.080 ( -0.926 -0.000 0.017) 0.926 12.235 ( -4.540 -0.000 2.236) 5.061 12.338 ( -0.643 -0.000 -7.240) 7.269 12.528 ( 5.943 0.000 -2.247) 6.353 12.547 ( -1.932 -0.000 0.337) 1.961 13.962 ( -0.686 -0.000 3.487) 3.554 14.151 ( 9.992 0.000 -0.957) 10.038 16.163 ( -27.619 -0.000 0.966) 27.636 16.255 ( 6.524 0.000 -1.256) 6.644 26.530 ( -0.564 -0.000 0.048) 0.566 26.560 ( -0.645 -0.000 -0.954) 1.152 26.881 ( 0.487 0.000 1.141) 1.241 26.922 ( -0.287 -0.000 -0.145) 0.321 ======================= Grid point 306 (143/251) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -0.032 6.716 29.861) 30.607 1.905 ( 6.625 -6.099 22.903) 24.610 2.656 ( 1.586 -10.465 8.372) 13.495 3.025 ( -4.128 -3.267 -9.842) 11.161 3.267 ( -3.609 -4.263 -8.400) 10.088 3.383 ( 0.501 -0.393 5.565) 5.601 3.686 ( 11.973 4.767 -6.400) 14.389 3.858 ( -1.811 -9.267 2.908) 9.879 4.297 ( 4.704 -3.052 -4.346) 7.095 4.623 ( 2.142 -0.919 -17.606) 17.760 4.976 ( -7.960 0.784 -1.148) 8.080 5.051 ( 6.636 -2.742 0.686) 7.213 5.759 ( -8.885 -1.961 4.112) 9.985 5.893 ( -2.704 1.844 1.629) 3.656 5.985 ( -0.904 -1.665 -0.123) 1.899 6.292 ( 3.492 -4.567 -5.246) 7.783 6.885 ( -10.646 3.674 8.181) 13.920 7.046 ( -13.159 -4.378 4.072) 14.453 7.401 ( 5.643 0.774 1.099) 5.801 7.513 ( 6.776 0.537 -1.367) 6.933 7.917 ( 0.627 1.377 -3.256) 3.590 8.166 ( 8.732 4.087 -7.322) 12.106 8.496 ( -6.899 1.612 1.079) 7.166 8.689 ( 7.331 1.576 -3.395) 8.231 10.124 ( 1.969 -1.303 1.559) 2.830 10.307 ( 1.523 -5.615 -3.872) 6.988 10.438 ( -1.019 -4.376 6.623) 8.003 10.788 ( 1.555 -3.847 -3.068) 5.160 11.756 ( 6.275 -2.250 4.864) 8.252 12.057 ( -4.028 0.027 -1.699) 4.372 12.149 ( -3.610 4.979 1.669) 6.372 12.322 ( 0.760 0.240 -4.805) 4.871 12.486 ( -3.247 2.611 1.444) 4.410 12.638 ( 2.203 -6.397 -4.081) 7.901 13.948 ( 2.001 3.069 2.159) 4.253 14.149 ( 8.731 7.892 -3.339) 12.233 15.904 ( -24.910 5.209 7.127) 26.428 16.280 ( 4.673 1.861 -0.666) 5.073 26.533 ( -0.083 -0.508 0.282) 0.587 26.558 ( -0.446 -0.599 -0.848) 1.130 26.876 ( 0.355 1.327 1.061) 1.736 26.908 ( -0.351 1.187 -0.230) 1.259 ======================= Grid point 307 (144/251) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 3.374 1.114 26.141) 26.382 2.176 ( 8.595 -8.681 18.862) 22.473 2.677 ( -7.035 -1.413 -13.738) 15.499 3.081 ( -4.317 -4.181 -12.960) 14.285 3.303 ( 3.936 -3.403 -3.400) 6.216 3.570 ( 5.057 -10.263 5.319) 12.617 3.628 ( 6.948 5.286 -6.640) 10.969 3.985 ( 1.113 -3.339 -2.844) 4.525 4.409 ( 0.629 -8.861 1.566) 9.021 4.660 ( 4.013 -5.644 -7.939) 10.535 4.888 ( -9.374 -0.693 -1.583) 9.532 5.172 ( 9.705 -1.549 2.137) 10.057 5.731 ( -8.214 -1.567 0.190) 8.364 5.893 ( -1.288 -2.409 5.183) 5.859 6.014 ( -1.802 -2.997 0.104) 3.498 6.360 ( -1.152 -3.037 -3.656) 4.890 6.790 ( -8.286 0.663 8.381) 11.804 7.061 ( -10.870 -5.207 5.601) 13.290 7.444 ( 8.431 0.963 1.087) 8.555 7.543 ( 6.502 1.574 -1.661) 6.893 7.863 ( -0.406 3.287 -4.497) 5.585 8.096 ( 5.477 6.763 -7.353) 11.393 8.430 ( -4.379 1.024 1.879) 4.874 8.705 ( 5.809 1.115 -2.043) 6.258 10.170 ( 0.420 -2.119 1.846) 2.842 10.431 ( 2.988 -7.296 -2.602) 8.302 10.548 ( -0.187 -5.408 4.763) 7.209 10.888 ( 2.047 -6.481 -3.548) 7.667 11.874 ( 3.528 -4.034 6.365) 8.321 11.982 ( -5.459 4.187 0.383) 6.891 12.058 ( -3.887 1.678 -0.529) 4.266 12.301 ( 0.891 0.863 -4.881) 5.036 12.410 ( -4.948 2.722 4.262) 7.075 12.748 ( 0.591 -5.760 -4.379) 7.260 13.900 ( 5.387 6.189 -0.340) 8.212 13.987 ( 4.657 13.568 -5.322) 15.301 15.688 ( -15.801 3.442 9.858) 18.940 16.258 ( 2.701 3.304 -1.072) 4.400 26.548 ( 0.171 -1.026 0.359) 1.100 26.569 ( -0.142 -1.115 -0.688) 1.317 26.848 ( 0.168 2.330 0.961) 2.526 26.874 ( -0.290 2.082 -0.373) 2.135 ======================= Grid point 308 (145/251) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 6.584 -4.281 17.867) 19.517 2.447 ( 7.904 -7.006 11.999) 15.986 2.598 ( -4.044 -0.651 -17.699) 18.167 2.993 ( -4.443 3.448 -12.409) 13.624 3.441 ( 7.797 -7.596 -7.514) 13.227 3.521 ( 5.475 5.460 -8.581) 11.551 3.751 ( -2.245 -2.428 2.084) 3.909 3.972 ( 3.501 1.914 -8.715) 9.585 4.638 ( -1.508 -13.244 3.562) 13.797 4.789 ( -3.609 -8.082 -1.345) 8.953 4.884 ( 0.838 -3.510 1.827) 4.045 5.264 ( 8.729 -0.219 3.710) 9.488 5.693 ( -7.221 -0.736 -1.516) 7.415 5.974 ( -1.846 -4.731 7.133) 8.757 6.074 ( 0.808 -4.592 0.566) 4.697 6.352 ( -3.584 0.448 -1.210) 3.809 6.792 ( -4.569 -2.878 8.398) 9.984 7.083 ( -10.961 -4.292 5.973) 13.200 7.506 ( 11.297 1.276 -0.055) 11.369 7.547 ( 4.381 1.873 -1.267) 4.930 7.769 ( -1.073 4.242 -5.711) 7.194 7.990 ( 0.907 4.497 -6.034) 7.580 8.399 ( -1.836 0.911 2.966) 3.605 8.723 ( 4.381 1.000 -1.706) 4.807 10.216 ( -0.007 -1.895 2.428) 3.080 10.584 ( 6.344 -6.318 -3.351) 9.559 10.655 ( -2.531 -5.838 5.389) 8.338 11.003 ( 1.328 -5.599 -3.251) 6.610 11.848 ( -7.098 4.127 0.204) 8.214 11.948 ( -3.161 1.444 3.102) 4.658 12.040 ( 0.387 -2.814 4.134) 5.016 12.274 ( -1.319 0.175 -4.168) 4.375 12.373 ( -2.849 -1.204 5.304) 6.140 12.804 ( -1.222 -0.839 0.312) 1.514 13.707 ( 1.984 14.564 -5.248) 15.607 13.848 ( 7.879 6.227 -7.173) 12.341 15.598 ( -7.144 0.587 8.937) 11.457 16.206 ( 1.170 3.351 -1.985) 4.067 26.573 ( 0.173 -1.458 0.293) 1.497 26.591 ( 0.198 -1.574 -0.421) 1.641 26.805 ( -0.054 2.823 0.806) 2.936 26.829 ( -0.213 2.502 -0.483) 2.557 ======================= Grid point 309 (146/251) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 6.041 -3.613 7.455) 10.253 2.452 ( 0.321 3.806 -23.158) 23.471 2.615 ( 4.642 1.492 4.909) 6.919 2.907 ( 0.880 -0.798 -0.325) 1.231 3.448 ( 0.215 1.156 -11.026) 11.089 3.536 ( -1.266 2.857 -4.998) 5.894 3.762 ( 5.837 -4.787 -2.872) 8.077 3.980 ( 7.310 -0.870 -9.757) 12.223 4.784 ( -5.833 -5.342 -2.056) 8.172 4.869 ( -5.783 -6.289 -0.969) 8.598 4.995 ( 5.394 -2.269 6.895) 9.043 5.360 ( 2.069 -2.231 4.648) 5.555 5.624 ( -3.790 1.570 -1.655) 4.423 6.052 ( -3.330 -2.756 8.460) 9.500 6.202 ( 3.905 -6.468 -0.096) 7.556 6.303 ( -1.003 1.942 1.186) 2.487 6.857 ( -2.792 -3.823 8.748) 9.947 7.077 ( -10.815 -2.365 6.086) 12.633 7.532 ( 7.959 3.011 -2.417) 8.847 7.579 ( 6.437 0.510 0.617) 6.487 7.679 ( -0.777 1.713 -6.504) 6.770 7.923 ( -2.071 0.244 -4.854) 5.283 8.381 ( -1.442 1.248 4.690) 5.063 8.717 ( 2.457 2.160 -2.103) 3.889 10.252 ( 0.037 -0.964 3.257) 3.397 10.711 ( 3.971 -3.211 -1.204) 5.247 10.753 ( -0.276 -4.874 2.228) 5.366 11.073 ( -0.224 -2.808 -2.242) 3.600 11.741 ( -6.427 1.211 -0.271) 6.545 11.866 ( -2.459 4.753 2.680) 5.985 12.103 ( -0.364 -0.683 4.526) 4.591 12.265 ( -1.771 -2.272 -3.573) 4.589 12.453 ( -2.140 -7.106 6.896) 10.131 12.738 ( -3.315 7.660 8.225) 11.718 13.501 ( 1.066 5.779 -9.677) 11.321 13.776 ( 9.343 5.857 -11.216) 15.729 15.600 ( -2.145 -1.500 7.189) 7.650 16.154 ( 0.352 2.049 -2.830) 3.511 26.604 ( 0.068 -1.677 0.113) 1.682 26.624 ( 0.469 -1.786 -0.109) 1.850 26.754 ( -0.466 2.746 0.470) 2.825 26.784 ( 0.022 2.088 -0.343) 2.116 ======================= Grid point 310 (147/251) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -2.646 12.743 -10.679) 16.836 2.450 ( 7.082 -3.540 -8.668) 11.740 2.556 ( 3.782 6.472 3.417) 8.238 2.997 ( 6.080 -2.932 4.907) 8.345 3.361 ( -5.738 2.609 -4.249) 7.601 3.452 ( 1.813 1.090 -11.414) 11.608 3.916 ( 5.704 -7.721 -15.654) 18.364 4.036 ( 8.653 -0.507 -1.970) 8.889 4.731 ( -5.091 6.150 -0.185) 7.986 4.935 ( -5.585 -6.152 -0.941) 8.362 5.041 ( -1.177 3.008 8.301) 8.907 5.339 ( -2.461 1.074 -0.574) 2.745 5.639 ( 2.843 -1.828 1.040) 3.536 6.064 ( -3.492 1.308 6.706) 7.673 6.240 ( -2.587 0.967 2.834) 3.957 6.387 ( 9.290 -4.628 -0.939) 10.421 6.921 ( -2.461 -1.519 8.591) 9.065 7.053 ( -9.819 -2.619 5.967) 11.785 7.536 ( 3.578 1.145 -0.476) 3.787 7.581 ( 6.012 3.966 -1.872) 7.441 7.670 ( -0.486 -2.786 -6.013) 6.645 7.919 ( -1.817 -3.202 -4.785) 6.037 8.369 ( -1.441 0.678 6.795) 6.979 8.667 ( 0.630 3.793 -2.525) 4.600 10.270 ( -0.071 0.340 3.738) 3.754 10.737 ( -3.523 0.392 1.453) 3.831 10.815 ( 2.791 0.292 -1.516) 3.189 11.110 ( 2.134 -1.973 -2.194) 3.641 11.712 ( -4.294 -2.187 1.232) 4.974 11.783 ( 0.426 3.947 2.891) 4.911 12.088 ( -0.659 3.306 2.928) 4.465 12.270 ( 0.825 1.378 -2.560) 3.022 12.598 ( -4.951 4.895 9.987) 12.174 12.617 ( -3.608 -9.989 8.688) 13.721 13.441 ( 1.576 -0.241 -8.766) 8.910 13.718 ( 7.633 2.704 -14.545) 16.648 15.661 ( -0.056 -3.751 5.518) 6.672 16.125 ( -0.011 0.088 -3.300) 3.301 26.630 ( -0.058 -1.022 -0.255) 1.054 26.651 ( 0.331 -0.151 0.148) 0.393 26.714 ( -0.650 0.634 0.308) 0.959 26.760 ( 0.314 0.352 -0.133) 0.490 ======================= Grid point 311 (148/251) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -3.713 14.073 -5.667) 15.619 2.314 ( -3.273 13.649 7.600) 15.961 2.670 ( 13.668 -4.421 -4.801) 15.147 3.112 ( 7.645 -1.472 4.522) 9.003 3.302 ( -0.607 -1.651 -6.883) 7.104 3.410 ( -1.381 -0.328 -12.185) 12.267 3.983 ( 6.876 -0.702 -18.010) 19.291 4.086 ( -1.720 1.672 -0.253) 2.412 4.499 ( -3.239 11.719 1.963) 12.316 4.911 ( -3.512 6.462 6.820) 10.030 5.029 ( -5.472 -4.100 2.658) 7.336 5.379 ( 6.744 -3.109 -1.354) 7.548 5.655 ( -2.395 1.163 -1.382) 3.000 6.011 ( -3.222 3.094 4.481) 6.327 6.212 ( -0.137 2.296 3.414) 4.116 6.507 ( 8.217 -0.687 -2.399) 8.587 6.921 ( -4.191 0.913 7.833) 8.931 7.078 ( -6.046 -4.787 5.449) 9.443 7.522 ( -1.706 3.558 0.160) 3.949 7.544 ( 2.967 1.411 -0.626) 3.345 7.720 ( 1.334 -5.123 -7.041) 8.809 7.959 ( -0.665 -3.818 -5.606) 6.815 8.391 ( -0.629 -1.412 7.508) 7.665 8.582 ( -0.093 4.663 -2.201) 5.157 10.261 ( -0.290 1.949 3.531) 4.044 10.667 ( -4.732 3.134 -1.427) 5.852 10.777 ( -0.127 4.370 1.168) 4.526 11.138 ( 3.754 1.981 -2.747) 5.057 11.735 ( -1.672 -1.897 2.605) 3.631 11.785 ( 3.782 -1.509 2.294) 4.674 11.981 ( -1.095 8.069 3.882) 9.021 12.243 ( 1.778 0.859 0.941) 2.187 12.576 ( -3.468 -1.562 5.000) 6.282 12.786 ( -3.122 -7.999 6.002) 10.476 13.448 ( 3.149 -1.355 -5.069) 6.120 13.717 ( 2.797 -3.445 -13.289) 14.010 15.770 ( 0.342 -6.479 3.785) 7.512 16.129 ( -0.635 -2.063 -3.208) 3.867 26.624 ( -0.565 1.607 -0.115) 1.707 26.635 ( -0.208 0.726 -0.533) 0.924 26.733 ( -0.109 -2.107 0.657) 2.210 26.780 ( 0.582 -2.012 -0.012) 2.095 ======================= Grid point 312 (149/251) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -4.171 8.847 7.894) 12.569 2.053 ( -3.707 15.840 15.088) 22.188 2.810 ( 11.930 -0.714 -3.665) 12.501 3.174 ( 7.830 1.933 1.785) 8.260 3.319 ( 0.398 0.443 -8.896) 8.916 3.418 ( -1.335 -8.844 -10.822) 14.040 3.782 ( -11.167 21.225 7.223) 25.048 3.963 ( 8.724 4.503 -14.600) 17.594 4.469 ( 2.897 -5.207 -4.884) 7.705 4.747 ( -2.010 12.320 10.749) 16.474 5.063 ( -5.732 -4.236 -2.087) 7.426 5.513 ( 9.568 -4.259 -0.230) 10.476 5.544 ( -7.565 5.585 -2.843) 9.823 5.953 ( -2.682 1.590 1.325) 3.388 6.170 ( -0.057 3.866 3.495) 5.212 6.504 ( 5.583 5.855 -3.692) 8.893 6.907 ( -3.781 -0.456 7.035) 8.000 7.153 ( -2.681 -5.404 3.648) 7.049 7.434 ( -4.759 2.763 0.820) 5.564 7.531 ( -2.108 0.626 0.227) 2.211 7.826 ( 3.676 -6.878 -6.804) 10.349 7.994 ( -0.429 -2.483 -6.065) 6.568 8.449 ( 1.347 -1.753 2.729) 3.512 8.506 ( 0.013 2.405 1.896) 3.063 10.219 ( -0.524 3.620 3.024) 4.746 10.559 ( -3.656 4.071 -3.436) 6.461 10.680 ( -1.600 6.173 3.203) 7.136 11.062 ( 0.815 6.927 -2.588) 7.439 11.722 ( 3.046 6.133 0.764) 6.890 11.883 ( 4.361 -4.037 2.178) 6.329 11.924 ( -1.431 -3.290 6.857) 7.739 12.273 ( 2.049 -1.760 0.726) 2.797 12.586 ( -2.985 -0.349 2.679) 4.026 12.847 ( 1.598 1.822 -3.284) 4.082 13.545 ( 2.684 -8.338 1.301) 8.855 13.784 ( -0.619 -6.558 -7.546) 10.016 15.918 ( 0.502 -8.448 1.420) 8.581 16.167 ( -3.049 -4.943 -2.294) 6.244 26.588 ( -0.911 1.440 -0.077) 1.706 26.616 ( -0.362 0.844 -0.942) 1.315 26.778 ( 0.119 -2.431 0.891) 2.592 26.829 ( 0.582 -2.647 0.038) 2.710 ======================= Grid point 313 (150/251) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -3.530 0.167 22.038) 22.320 1.819 ( -2.857 13.463 20.688) 24.848 2.785 ( 2.455 13.128 6.301) 14.767 3.211 ( 7.079 0.309 -2.341) 7.462 3.295 ( 5.200 1.016 -3.785) 6.511 3.376 ( -10.226 8.198 2.380) 13.320 3.553 ( 2.735 -4.463 -10.748) 11.955 3.893 ( 9.574 6.795 -8.744) 14.639 4.464 ( -5.902 8.823 4.389) 11.486 4.638 ( 4.621 -2.007 -3.925) 6.387 5.067 ( -3.223 -1.138 -4.782) 5.878 5.339 ( -11.783 6.540 -3.083) 13.824 5.664 ( 9.010 -3.790 1.121) 9.839 5.924 ( -2.770 -0.527 -0.745) 2.916 6.098 ( -1.668 4.494 3.201) 5.764 6.385 ( 4.429 9.112 -4.682) 11.161 6.924 ( -3.089 -1.631 5.692) 6.678 7.242 ( 0.555 -4.279 0.832) 4.394 7.370 ( -10.075 -1.511 2.017) 10.385 7.494 ( -3.815 0.865 1.052) 4.051 7.963 ( 5.461 -6.426 -6.504) 10.649 7.988 ( -1.780 0.010 -6.190) 6.440 8.468 ( 8.345 1.325 -1.327) 8.553 8.543 ( -2.862 -3.851 4.655) 6.685 10.150 ( -0.689 4.304 2.806) 5.184 10.441 ( -1.396 5.374 -4.359) 7.059 10.564 ( -4.069 5.683 4.561) 8.346 10.914 ( -0.553 7.702 -2.960) 8.270 11.640 ( 5.192 5.829 2.389) 8.164 11.987 ( 1.752 -3.951 3.137) 5.340 12.055 ( 0.781 -7.020 4.514) 8.382 12.330 ( 2.217 -2.326 -0.819) 3.316 12.555 ( -3.704 1.125 0.302) 3.883 12.749 ( 4.654 8.348 -7.835) 12.358 13.770 ( 3.679 -11.213 4.543) 12.646 13.875 ( -1.042 -5.849 -2.071) 6.292 16.071 ( 2.919 -6.574 -1.607) 7.371 16.240 ( -10.303 -9.325 -1.191) 13.948 26.560 ( -1.045 0.841 -0.181) 1.354 26.594 ( -0.534 0.749 -1.101) 1.435 26.824 ( 0.329 -2.098 1.073) 2.379 26.878 ( 0.369 -2.257 0.024) 2.287 ======================= Grid point 314 (151/251) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.539 -8.017 28.399) 29.549 1.691 ( -0.204 7.476 24.047) 25.183 2.486 ( -0.241 21.378 23.802) 31.994 3.193 ( -1.545 0.433 -16.352) 16.431 3.311 ( 0.955 -3.704 10.964) 11.612 3.378 ( 2.391 -2.019 -10.534) 10.989 3.574 ( 3.673 -0.826 -8.788) 9.561 3.809 ( 6.849 8.622 0.600) 11.028 4.290 ( -1.093 5.695 -0.454) 5.817 4.694 ( 1.835 -2.504 -10.589) 11.035 5.007 ( 0.380 3.690 -8.225) 9.023 5.159 ( -12.367 1.070 -0.321) 12.417 5.782 ( 3.023 -2.200 3.687) 5.251 5.922 ( -2.982 -2.184 -0.430) 3.721 6.016 ( -2.210 3.329 1.521) 4.275 6.255 ( 5.885 7.093 -5.814) 10.897 6.945 ( -2.971 -1.187 5.291) 6.183 7.289 ( -12.658 -2.482 -2.407) 13.121 7.333 ( -3.476 -2.098 2.559) 4.800 7.463 ( -0.930 0.514 1.531) 1.864 7.943 ( -0.719 0.938 -3.945) 4.118 8.083 ( 7.166 -3.629 -6.453) 10.304 8.548 ( 9.246 -1.819 -1.220) 9.502 8.588 ( -2.171 -2.144 1.365) 3.343 10.089 ( 0.276 2.874 2.695) 3.950 10.321 ( 0.278 5.415 -4.656) 7.147 10.451 ( -6.011 3.928 6.434) 9.641 10.791 ( 0.537 4.271 -2.788) 5.129 11.623 ( 6.760 2.592 3.241) 7.932 12.062 ( 1.492 -1.579 2.282) 3.150 12.186 ( -2.476 -6.415 3.013) 7.508 12.366 ( 0.141 -0.955 -4.747) 4.844 12.509 ( -0.332 1.020 -1.755) 2.057 12.615 ( 3.923 7.047 -3.781) 8.907 13.931 ( -2.108 -3.681 2.929) 5.155 14.013 ( 8.156 -6.585 1.517) 10.592 16.182 ( 5.108 -3.116 -2.184) 6.370 16.287 ( -19.952 -8.093 -1.925) 21.617 26.540 ( -0.960 0.390 -0.181) 1.052 26.574 ( -0.665 0.511 -1.078) 1.366 26.862 ( 0.475 -1.245 1.160) 1.767 26.912 ( 0.019 -1.287 -0.056) 1.288 ======================= Grid point 316 (152/251) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 2.332 0.000 27.537) 27.636 1.969 ( 4.528 0.000 26.198) 26.586 2.603 ( 1.145 0.000 4.653) 4.792 2.915 ( -6.940 -0.000 -13.130) 14.852 3.157 ( 0.201 0.000 -3.358) 3.364 3.399 ( -3.998 -0.000 3.671) 5.427 3.753 ( -1.112 -0.000 7.084) 7.171 3.804 ( 10.246 0.000 -6.414) 12.089 4.303 ( 7.532 0.000 -8.352) 11.247 4.564 ( 3.726 0.000 -21.270) 21.594 4.964 ( -4.416 -0.000 -1.521) 4.671 5.080 ( 9.755 0.000 5.152) 11.032 5.666 ( -11.748 -0.000 5.272) 12.877 5.856 ( -8.423 -0.000 -0.309) 8.428 5.989 ( 1.327 0.000 1.235) 1.813 6.261 ( 3.845 0.000 -5.789) 6.949 6.864 ( -15.159 -0.000 3.811) 15.631 6.914 ( -7.601 -0.000 9.514) 12.177 7.452 ( 5.272 0.000 2.466) 5.821 7.580 ( 8.980 0.000 -1.376) 9.085 7.938 ( 2.533 0.000 -2.418) 3.502 8.252 ( 9.427 0.000 -7.878) 12.286 8.451 ( -8.132 -0.000 0.044) 8.132 8.737 ( 4.386 0.000 -3.507) 5.615 10.146 ( 3.494 0.000 0.563) 3.539 10.252 ( 2.483 0.000 -3.728) 4.480 10.421 ( 1.615 0.000 6.768) 6.958 10.756 ( 1.597 0.000 -2.759) 3.187 11.802 ( 5.985 0.000 4.479) 7.475 11.983 ( -8.405 -0.000 -6.408) 10.570 12.181 ( -3.679 -0.000 1.557) 3.995 12.332 ( 3.456 0.000 -1.256) 3.678 12.491 ( -5.025 -0.000 -0.496) 5.050 12.572 ( 1.583 0.000 -1.950) 2.511 14.003 ( 3.076 0.000 2.257) 3.815 14.273 ( 6.864 0.000 -4.804) 8.378 15.780 ( -23.273 -0.000 9.502) 25.139 16.329 ( 2.734 0.000 1.002) 2.912 26.530 ( 0.256 0.000 0.433) 0.503 26.547 ( -0.309 -0.000 -0.620) 0.693 26.895 ( 0.245 0.000 0.966) 0.996 26.914 ( -0.456 -0.000 -0.280) 0.535 ======================= Grid point 317 (153/251) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 1.349 5.917 28.604) 29.241 2.189 ( 9.184 -6.831 21.696) 24.530 2.562 ( -8.084 0.305 -11.630) 14.167 2.892 ( -6.315 -6.433 -10.121) 13.553 3.241 ( 2.846 -5.343 -3.521) 7.003 3.413 ( -1.652 -6.569 2.473) 7.211 3.787 ( 7.361 6.058 -8.505) 12.776 3.886 ( 3.856 -7.853 9.029) 12.573 4.333 ( 4.164 -1.203 -9.872) 10.782 4.584 ( 7.344 -4.942 -12.954) 15.690 4.862 ( -5.383 5.104 -0.055) 7.418 5.226 ( 10.725 -3.167 5.345) 12.394 5.623 ( -9.675 -2.576 2.521) 10.324 5.810 ( -8.824 -3.122 2.897) 9.797 5.996 ( 1.230 0.120 -0.360) 1.287 6.290 ( 0.719 -2.404 -4.871) 5.479 6.761 ( -9.567 0.855 6.052) 11.353 6.920 ( -9.312 -3.479 8.034) 12.781 7.508 ( 5.865 -0.188 3.211) 6.689 7.633 ( 8.420 1.473 -0.996) 8.606 7.923 ( 2.814 3.264 -2.598) 5.032 8.229 ( 4.363 6.304 -7.787) 10.928 8.404 ( -3.439 -0.976 -0.560) 3.618 8.747 ( 2.781 0.458 -2.306) 3.642 10.170 ( 3.236 0.042 0.388) 3.259 10.319 ( 2.348 -5.734 -1.114) 6.296 10.500 ( 3.859 -3.362 3.621) 6.269 10.796 ( 1.787 -3.986 -2.736) 5.154 11.870 ( 0.477 -1.129 2.976) 3.219 11.900 ( -7.788 -2.020 -5.177) 9.567 12.111 ( -2.549 4.723 1.649) 5.615 12.344 ( 3.256 2.103 -1.056) 4.017 12.425 ( -5.099 1.681 1.555) 5.590 12.629 ( 0.053 -5.530 -3.280) 6.429 14.015 ( 4.974 2.605 0.446) 5.633 14.212 ( 1.854 8.899 -4.091) 9.968 15.645 ( -14.339 1.371 10.476) 17.811 16.325 ( 0.472 2.320 1.312) 2.707 26.539 ( 0.442 -0.464 0.513) 0.820 26.550 ( -0.046 -0.655 -0.418) 0.778 26.886 ( 0.045 1.363 0.839) 1.602 26.899 ( -0.392 1.123 -0.386) 1.251 ======================= Grid point 318 (154/251) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 2.493 0.573 23.892) 24.028 2.441 ( 2.839 -2.356 -5.155) 6.339 2.490 ( 2.841 -6.085 5.996) 9.003 2.901 ( -7.037 -3.779 -10.282) 13.020 3.333 ( 4.237 -5.495 -11.035) 13.035 3.582 ( -4.124 -11.748 -4.423) 13.213 3.669 ( 5.200 8.324 -6.266) 11.645 4.026 ( 4.015 1.309 1.193) 4.388 4.410 ( 0.085 -9.521 -4.028) 10.338 4.708 ( 4.638 -1.645 -0.050) 4.922 4.804 ( 1.064 -5.910 0.041) 6.005 5.345 ( 6.146 0.006 4.717) 7.747 5.615 ( -3.422 -2.343 -0.956) 4.256 5.859 ( -7.192 -6.797 7.678) 12.525 6.021 ( 1.949 -2.375 -1.505) 3.421 6.307 ( -2.430 -1.709 -3.310) 4.448 6.733 ( -5.693 -1.887 7.165) 9.344 6.940 ( -9.880 -4.225 7.301) 12.991 7.567 ( 4.930 -0.122 2.870) 5.706 7.657 ( 8.414 2.577 -0.801) 8.837 7.850 ( 2.261 5.809 -2.995) 6.916 8.080 ( -0.930 7.745 -6.765) 10.325 8.409 ( 0.873 -0.155 -0.585) 1.063 8.754 ( 2.136 0.194 -1.940) 2.892 10.205 ( 2.869 -0.991 0.899) 3.166 10.471 ( 2.771 -8.450 1.424) 9.006 10.598 ( 3.585 -3.084 1.290) 4.902 10.897 ( 1.534 -6.190 -2.643) 6.903 11.786 ( -14.067 -0.515 -4.467) 14.768 11.955 ( -0.356 -1.170 3.427) 3.639 12.025 ( -0.316 2.028 2.534) 3.261 12.290 ( -0.705 3.347 -2.803) 4.422 12.386 ( -0.998 1.300 4.239) 4.545 12.724 ( -0.187 -5.793 -3.040) 6.545 13.975 ( -2.425 15.081 -2.418) 15.465 13.992 ( 7.222 4.815 -2.815) 9.125 15.589 ( -4.872 0.367 8.806) 10.070 16.269 ( -1.193 3.656 0.397) 3.866 26.556 ( 0.396 -0.871 0.459) 1.061 26.567 ( 0.299 -1.217 -0.165) 1.264 26.855 ( -0.159 2.375 0.681) 2.476 26.866 ( -0.305 2.023 -0.520) 2.111 ======================= Grid point 319 (155/251) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.056 -3.298 14.833) 15.499 2.397 ( -0.283 -1.402 -19.626) 19.678 2.697 ( 8.484 -0.881 5.366) 10.077 2.875 ( -0.909 -2.690 -1.593) 3.256 3.377 ( -2.420 -2.583 -17.084) 17.447 3.571 ( -0.259 4.422 -0.315) 4.441 3.706 ( 2.079 -6.606 -10.128) 12.269 3.993 ( 3.479 1.566 -0.923) 3.925 4.538 ( -6.369 -8.885 -6.849) 12.901 4.810 ( 4.537 -4.465 5.372) 8.330 4.985 ( 6.596 -6.432 3.456) 9.840 5.365 ( -1.826 0.545 3.437) 3.930 5.635 ( 3.571 0.245 -0.782) 3.663 5.965 ( -5.042 -6.570 8.736) 12.038 6.109 ( 1.778 -5.770 -0.608) 6.069 6.299 ( -2.218 -1.061 -1.347) 2.804 6.781 ( -3.725 -4.370 7.782) 9.671 6.959 ( -10.036 -3.690 7.186) 12.884 7.592 ( 1.804 1.025 0.850) 2.242 7.686 ( 9.664 2.495 -0.095) 9.981 7.747 ( 3.245 5.908 -3.597) 7.640 7.923 ( -3.402 4.855 -5.595) 8.152 8.410 ( 0.767 0.931 1.081) 1.620 8.752 ( 1.168 0.907 -2.459) 2.869 10.252 ( 2.568 -1.063 1.977) 3.411 10.648 ( 0.505 -7.391 3.631) 8.250 10.683 ( 5.196 -3.429 -1.400) 6.381 10.996 ( -0.304 -4.707 -2.022) 5.132 11.671 ( -12.862 -0.634 -1.625) 12.980 11.914 ( -2.454 2.607 0.811) 3.671 12.073 ( -0.798 -3.084 4.774) 5.739 12.225 ( -1.744 1.208 -3.091) 3.749 12.394 ( 0.576 -1.144 4.943) 5.106 12.791 ( -0.786 -1.780 0.723) 2.075 13.662 ( -3.175 14.803 -3.213) 15.477 13.938 ( 8.985 6.516 -7.097) 13.174 15.600 ( 0.122 -0.308 7.001) 7.009 16.191 ( -1.745 3.284 -1.070) 3.870 26.579 ( 0.276 -1.257 0.371) 1.339 26.596 ( 0.567 -1.655 0.047) 1.750 26.805 ( -0.518 2.985 0.262) 3.041 26.823 ( -0.079 2.339 -0.357) 2.368 ======================= Grid point 320 (156/251) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -0.136 5.703 -6.520) 8.663 2.405 ( 7.131 -4.144 -8.979) 12.192 2.674 ( 2.160 3.330 -3.628) 5.377 3.005 ( 7.665 -3.303 7.560) 11.262 3.313 ( -7.138 -0.687 -9.710) 12.071 3.460 ( -3.456 3.747 -4.442) 6.761 3.803 ( 6.911 -4.890 -16.007) 18.108 4.045 ( 3.624 -2.882 -1.412) 4.841 4.618 ( -7.143 -8.080 -3.867) 11.457 4.904 ( 5.020 0.285 4.147) 6.518 5.104 ( 2.121 0.035 5.208) 5.623 5.336 ( -2.186 0.194 0.517) 2.254 5.663 ( 4.936 0.669 1.262) 5.139 6.045 ( -4.446 -2.885 6.842) 8.654 6.202 ( -2.703 -3.496 1.764) 4.758 6.349 ( 3.823 -5.181 -1.153) 6.541 6.870 ( -2.469 -4.763 8.103) 9.718 6.957 ( -9.780 -2.076 7.183) 12.311 7.581 ( 0.604 1.417 0.896) 1.782 7.651 ( 2.472 3.030 -3.906) 5.527 7.711 ( 7.141 4.904 -3.773) 9.449 7.849 ( -1.487 -1.288 -2.654) 3.304 8.397 ( -0.497 1.231 3.614) 3.850 8.718 ( -0.053 2.458 -2.970) 3.855 10.289 ( 1.585 -0.127 3.112) 3.494 10.713 ( -2.246 -1.135 1.912) 3.160 10.810 ( 4.755 -3.709 -1.356) 6.181 11.053 ( -0.427 -3.843 -1.745) 4.242 11.621 ( -8.087 -3.234 1.637) 8.862 11.851 ( -1.105 2.963 0.795) 3.261 12.112 ( -1.911 -0.511 3.320) 3.865 12.217 ( -1.290 -3.181 -2.783) 4.419 12.479 ( -0.444 -5.803 6.498) 8.724 12.747 ( -2.569 7.304 7.810) 10.997 13.432 ( -1.594 5.433 -7.500) 9.397 13.854 ( 9.743 7.414 -11.433) 16.751 15.640 ( 1.003 -1.095 6.089) 6.267 16.127 ( -1.173 1.684 -2.554) 3.276 26.607 ( 0.210 -1.432 0.242) 1.467 26.633 ( 0.620 -1.781 0.142) 1.891 26.746 ( -0.732 2.877 0.065) 2.970 26.783 ( 0.031 1.890 -0.253) 1.907 ======================= Grid point 321 (157/251) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 1.022 13.797 -10.796) 17.549 2.486 ( 2.496 3.089 -0.643) 4.023 2.678 ( 8.065 -3.090 -2.708) 9.052 3.108 ( 2.484 -2.583 1.538) 3.899 3.260 ( -2.286 -0.658 -1.266) 2.694 3.383 ( 0.441 1.531 -11.002) 11.117 3.882 ( 5.505 -5.399 -19.316) 20.798 4.088 ( -1.026 -0.696 -2.635) 2.912 4.663 ( -2.422 -0.215 1.005) 2.631 4.881 ( -1.259 4.533 2.257) 5.218 5.080 ( -0.398 3.577 8.363) 9.105 5.380 ( 5.777 -2.834 -0.016) 6.435 5.668 ( 0.671 2.016 -0.393) 2.160 6.040 ( -4.678 1.281 4.556) 6.655 6.229 ( -1.910 -1.084 3.532) 4.159 6.486 ( 3.716 -5.837 -2.398) 7.323 6.913 ( -6.538 0.224 8.301) 10.568 6.979 ( -3.025 -4.887 6.304) 8.531 7.549 ( -1.859 2.474 1.479) 3.430 7.613 ( -0.460 2.709 -3.720) 4.625 7.669 ( 5.033 0.278 -5.572) 7.514 7.889 ( 2.397 -2.547 -3.241) 4.768 8.394 ( -1.318 -0.047 6.141) 6.281 8.648 ( -0.498 3.716 -2.789) 4.673 10.300 ( 0.158 1.026 3.680) 3.824 10.679 ( -3.213 2.194 -1.384) 4.130 10.842 ( 0.706 1.903 1.381) 2.455 11.135 ( 2.944 -3.734 -3.309) 5.793 11.656 ( -4.612 -4.577 4.133) 7.701 11.814 ( 1.774 1.036 0.991) 2.281 12.091 ( -1.463 2.506 2.490) 3.823 12.271 ( 1.303 -2.024 -1.851) 3.036 12.593 ( -4.541 7.179 10.279) 13.334 12.622 ( -3.103 -8.430 8.364) 12.274 13.387 ( 0.110 -2.938 -8.311) 8.816 13.758 ( 9.285 6.213 -14.974) 18.683 15.696 ( -0.982 -2.915 5.887) 6.643 16.098 ( 0.124 -0.109 -3.771) 3.775 26.629 ( 0.122 -0.565 -0.167) 0.602 26.654 ( -0.013 0.707 -0.031) 0.708 26.708 ( -0.343 -0.093 0.454) 0.576 26.763 ( 0.173 -0.013 -0.165) 0.239 ======================= Grid point 322 (158/251) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 1.891 12.784 -0.835) 12.950 2.342 ( -1.050 12.815 9.399) 15.926 2.835 ( 10.319 -5.260 -6.446) 13.255 3.199 ( -2.176 -8.690 -6.189) 10.888 3.267 ( 4.016 1.168 -2.825) 5.047 3.315 ( 2.832 2.763 -9.205) 10.019 3.934 ( 1.355 -1.324 -15.643) 15.757 4.016 ( -2.880 4.563 -3.706) 6.546 4.571 ( 6.601 10.278 7.075) 14.116 4.868 ( -3.003 -4.265 -0.460) 5.237 4.997 ( -3.742 7.452 7.469) 11.194 5.473 ( -1.016 -2.037 -1.884) 2.955 5.622 ( 5.657 2.788 0.063) 6.307 5.973 ( -4.491 2.809 2.111) 5.702 6.227 ( -1.923 1.486 4.226) 4.874 6.562 ( 0.597 -1.146 -3.623) 3.847 6.882 ( -7.024 -0.064 8.647) 11.140 7.076 ( 1.732 -4.446 4.164) 6.333 7.459 ( -6.104 4.189 1.341) 7.524 7.549 ( -0.550 2.253 -2.894) 3.709 7.736 ( 5.655 -4.426 -5.500) 9.045 7.934 ( 1.655 -2.074 -5.356) 5.977 8.423 ( -1.692 -1.907 6.717) 7.184 8.573 ( 1.111 3.542 -1.767) 4.111 10.279 ( -0.985 2.289 3.523) 4.315 10.594 ( -1.660 3.719 -3.483) 5.359 10.786 ( -0.910 4.939 3.386) 6.057 11.149 ( 0.806 2.985 -4.149) 5.174 11.738 ( -0.900 -5.198 4.657) 7.036 11.860 ( 3.936 -2.877 1.145) 5.008 12.002 ( -0.339 7.593 4.930) 9.059 12.278 ( 1.699 0.773 1.125) 2.180 12.547 ( -4.307 -1.246 4.337) 6.238 12.775 ( -3.913 -8.023 6.928) 11.299 13.448 ( 2.329 -5.218 -5.732) 8.094 13.705 ( 7.138 0.393 -14.587) 16.245 15.771 ( -5.110 -5.784 6.097) 9.836 16.105 ( 1.674 -1.440 -4.455) 4.973 26.614 ( -0.518 1.984 -0.126) 2.054 26.627 ( -0.181 0.969 -0.638) 1.174 26.738 ( 0.097 -2.273 0.881) 2.439 26.787 ( 0.343 -2.214 -0.102) 2.243 ======================= Grid point 323 (159/251) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 1.869 6.941 13.630) 15.409 2.125 ( -0.744 14.406 15.965) 21.516 2.919 ( 3.968 0.736 -8.298) 9.227 3.225 ( 0.380 -0.068 -8.723) 8.732 3.313 ( 6.011 -1.721 -8.727) 10.736 3.341 ( 3.347 -5.339 -4.619) 7.813 3.718 ( -3.387 16.188 6.862) 17.905 3.991 ( 6.333 0.334 -12.879) 14.356 4.518 ( 4.130 3.999 2.498) 6.268 4.790 ( -1.246 11.766 6.637) 13.566 4.961 ( -3.340 -5.804 -1.893) 6.959 5.352 ( -10.583 5.821 -5.881) 13.434 5.706 ( 10.863 -1.062 2.812) 11.271 5.902 ( -4.075 1.448 -0.077) 4.325 6.168 ( -3.796 3.994 4.166) 6.908 6.511 ( -1.132 4.367 -4.319) 6.245 6.869 ( -7.548 -1.467 9.079) 11.898 7.192 ( 5.670 -4.112 0.801) 7.050 7.335 ( -8.307 3.746 2.819) 9.539 7.503 ( -0.543 1.459 -1.860) 2.425 7.864 ( 5.231 -6.567 -5.322) 9.941 7.947 ( 0.551 -1.022 -7.284) 7.376 8.471 ( -3.563 -2.964 5.668) 7.322 8.545 ( 5.767 1.535 -1.308) 6.109 10.227 ( -1.469 3.570 3.107) 4.956 10.505 ( 0.669 4.305 -4.564) 6.309 10.678 ( -2.448 7.103 4.956) 9.000 11.035 ( -0.444 7.206 -4.218) 8.361 11.803 ( 4.282 4.162 4.473) 7.460 11.919 ( -1.701 -2.468 5.358) 6.140 11.980 ( 2.976 -4.546 2.315) 5.906 12.306 ( 1.332 -1.791 0.358) 2.261 12.529 ( -5.885 0.240 1.094) 5.990 12.841 ( -0.056 0.756 -1.749) 1.906 13.600 ( 4.242 -10.837 -1.037) 11.684 13.763 ( 4.715 -5.450 -8.539) 11.173 15.859 ( -11.436 -8.644 6.401) 15.699 16.143 ( 3.405 -2.203 -4.293) 5.906 26.576 ( -0.580 1.648 0.006) 1.747 26.604 ( -0.295 1.094 -0.927) 1.464 26.787 ( 0.230 -2.571 1.030) 2.779 26.835 ( 0.215 -2.665 -0.127) 2.677 ======================= Grid point 324 (160/251) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 1.272 -1.202 25.648) 25.707 1.954 ( 2.431 11.595 20.178) 23.399 2.825 ( -1.757 7.220 -3.409) 8.176 3.172 ( -0.138 5.122 -9.660) 10.935 3.318 ( -2.670 0.789 -0.724) 2.876 3.416 ( 8.870 3.910 3.283) 10.234 3.551 ( 6.479 -0.379 -6.750) 9.364 3.976 ( 5.262 3.946 -4.987) 8.255 4.407 ( -2.963 8.856 2.051) 9.562 4.669 ( 2.598 2.486 -5.919) 6.926 5.020 ( -1.113 -2.632 -0.292) 2.872 5.127 ( -8.229 7.037 -5.645) 12.210 5.796 ( 3.514 -0.336 3.073) 4.680 5.865 ( -2.636 -0.934 -0.594) 2.859 6.067 ( -4.731 4.408 2.881) 7.079 6.392 ( 0.823 6.200 -4.659) 7.798 6.874 ( -9.149 -2.829 9.033) 13.165 7.202 ( -9.825 3.677 1.675) 10.623 7.315 ( 5.637 -3.158 1.409) 6.613 7.483 ( 2.164 0.680 -1.098) 2.520 7.916 ( -1.940 -1.053 -5.200) 5.650 8.029 ( 8.131 -6.083 -7.090) 12.385 8.498 ( -5.495 -2.534 3.205) 6.848 8.602 ( 8.707 -1.357 -1.821) 8.998 10.160 ( -0.693 3.661 2.682) 4.591 10.414 ( 2.193 5.476 -5.185) 7.853 10.540 ( -3.533 7.114 6.488) 10.255 10.889 ( 0.775 6.978 -3.855) 8.010 11.757 ( 5.626 5.132 5.399) 9.335 12.013 ( -1.543 -5.535 3.855) 6.920 12.085 ( 0.147 -4.111 1.677) 4.442 12.337 ( 0.401 -0.711 -4.402) 4.477 12.477 ( -5.982 -0.777 1.318) 6.175 12.760 ( 2.507 6.678 -5.909) 9.263 13.836 ( 2.317 -8.320 1.567) 8.778 13.913 ( 7.402 -10.093 -3.754) 13.067 15.925 ( -19.411 -9.163 6.429) 22.407 16.206 ( 4.969 -2.432 -2.903) 6.248 26.548 ( -0.400 1.055 0.125) 1.135 26.579 ( -0.420 0.946 -0.989) 1.432 26.837 ( 0.338 -2.239 1.089) 2.513 26.879 ( -0.072 -2.181 -0.181) 2.189 ======================= Grid point 327 (161/251) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 3.496 0.000 28.058) 28.275 2.191 ( 1.638 0.000 21.864) 21.925 2.464 ( -9.085 -0.000 -13.631) 16.381 2.744 ( -5.993 -0.000 -6.491) 8.835 3.181 ( 1.200 0.000 -4.844) 4.991 3.337 ( -3.009 -0.000 -4.513) 5.424 3.873 ( 6.730 0.000 -9.567) 11.697 3.916 ( 11.747 0.000 16.677) 20.399 4.335 ( 4.420 0.000 -11.371) 12.200 4.519 ( 5.942 0.000 -16.040) 17.106 4.911 ( -1.773 -0.000 -0.150) 1.779 5.279 ( 6.046 0.000 9.442) 11.212 5.544 ( -4.229 -0.000 2.869) 5.111 5.699 ( -10.958 -0.000 0.132) 10.959 6.000 ( -0.879 -0.000 0.420) 0.974 6.262 ( 1.542 0.000 -5.509) 5.720 6.711 ( -8.342 -0.000 4.569) 9.511 6.856 ( -7.609 -0.000 9.465) 12.145 7.565 ( 5.720 0.000 4.400) 7.216 7.704 ( 6.290 0.000 0.297) 6.297 7.980 ( 4.655 0.000 -1.908) 5.031 8.327 ( -6.973 -0.000 -0.249) 6.977 8.333 ( 8.073 0.000 -9.434) 12.417 8.753 ( 0.103 0.000 -1.595) 1.599 10.212 ( 4.527 0.000 1.424) 4.746 10.279 ( 4.116 0.000 -3.474) 5.386 10.519 ( 5.340 0.000 4.004) 6.674 10.762 ( 1.315 0.000 -2.438) 2.770 11.759 ( -12.824 -0.000 -8.067) 15.150 11.904 ( 2.698 0.000 3.592) 4.492 12.149 ( -1.311 -0.000 1.670) 2.123 12.393 ( -6.161 -0.000 -1.196) 6.276 12.398 ( 4.138 0.000 1.055) 4.271 12.559 ( -1.226 -0.000 -1.744) 2.132 14.079 ( 5.214 0.000 0.283) 5.222 14.279 ( -2.725 -0.000 -2.727) 3.855 15.600 ( -7.660 -0.000 9.761) 12.408 16.348 ( -2.076 -0.000 2.646) 3.363 26.541 ( 0.608 0.000 0.632) 0.877 26.543 ( 0.162 0.000 -0.114) 0.198 26.901 ( -0.187 -0.000 0.673) 0.698 26.905 ( -0.344 -0.000 -0.432) 0.552 ======================= Grid point 328 (162/251) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -1.186 6.041 24.406) 25.170 2.335 ( -7.962 -0.837 -13.244) 15.476 2.464 ( 7.338 -10.008 17.818) 21.714 2.727 ( -7.235 -4.590 -4.758) 9.801 3.229 ( 1.482 -5.775 -10.030) 11.669 3.339 ( -3.663 -5.738 -7.744) 10.310 3.835 ( 7.080 6.415 -7.132) 11.923 4.103 ( 10.554 -0.549 11.522) 15.635 4.290 ( 0.979 -0.901 -13.456) 13.522 4.639 ( 6.828 -10.564 -6.489) 14.153 4.823 ( -0.126 6.134 2.541) 6.641 5.361 ( -2.484 -2.197 6.260) 7.084 5.581 ( 6.199 -1.930 1.056) 6.578 5.679 ( -10.041 -7.023 3.722) 12.806 5.995 ( -1.203 -0.843 -0.745) 1.647 6.258 ( -0.074 -0.529 -4.822) 4.852 6.683 ( -5.318 -1.251 5.397) 7.679 6.845 ( -7.414 -1.706 8.713) 11.567 7.620 ( 4.587 0.556 4.188) 6.236 7.739 ( 4.478 0.743 1.337) 4.732 7.972 ( 4.984 4.577 -1.352) 6.901 8.190 ( -2.066 7.375 -4.745) 9.010 8.396 ( 3.303 -2.060 -5.078) 6.398 8.748 ( -0.962 -0.582 -1.467) 1.848 10.237 ( 5.293 0.906 -0.263) 5.376 10.371 ( 4.469 -6.038 0.753) 7.549 10.593 ( 5.160 -1.821 1.675) 5.722 10.802 ( 0.879 -4.154 -2.133) 4.752 11.634 ( -14.263 -0.786 -6.842) 15.839 11.935 ( -0.865 -1.204 2.273) 2.714 12.105 ( 0.462 4.482 2.534) 5.169 12.319 ( -4.532 2.297 -1.311) 5.247 12.423 ( 2.369 0.931 1.665) 3.041 12.602 ( -0.833 -5.706 -2.195) 6.170 14.100 ( 5.801 2.519 -1.684) 6.544 14.157 ( -6.065 8.476 0.144) 10.424 15.600 ( 0.120 0.080 7.613) 7.614 16.310 ( -3.952 2.368 2.399) 5.195 26.550 ( 0.418 -0.424 0.320) 0.676 26.554 ( 0.616 -0.612 0.492) 0.998 26.888 ( -0.460 1.346 0.394) 1.476 26.891 ( -0.209 1.122 -0.442) 1.224 ======================= Grid point 329 (163/251) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -3.569 0.193 17.274) 17.640 2.285 ( -0.637 -3.374 -14.449) 14.851 2.711 ( -2.259 -2.857 0.219) 3.649 2.788 ( 5.693 -9.812 8.317) 14.066 3.265 ( -0.213 -1.545 -16.762) 16.834 3.435 ( -6.438 -11.140 -9.011) 15.708 3.737 ( 6.463 7.942 -2.222) 10.478 4.084 ( 2.765 5.139 0.216) 5.840 4.353 ( -1.586 -6.312 -7.949) 10.273 4.809 ( 5.816 -1.952 4.097) 7.377 4.901 ( 8.943 -10.269 2.103) 13.779 5.355 ( -4.677 0.143 2.024) 5.098 5.672 ( 6.486 -1.340 0.730) 6.663 5.796 ( -6.419 -9.732 7.024) 13.611 6.022 ( -1.164 -3.878 -0.973) 4.164 6.246 ( -2.011 -0.924 -3.295) 3.969 6.711 ( -2.687 -3.170 6.123) 7.400 6.857 ( -7.109 -2.670 8.148) 11.138 7.628 ( 0.443 1.839 2.174) 2.882 7.776 ( 5.434 0.204 2.607) 6.030 7.896 ( 5.065 7.373 -0.456) 8.957 8.012 ( -0.975 8.572 -6.294) 10.679 8.424 ( 1.839 -0.359 -2.760) 3.336 8.746 ( -1.233 -0.650 -2.425) 2.797 10.274 ( 5.189 -0.226 0.417) 5.210 10.538 ( 3.551 -7.499 3.074) 8.848 10.668 ( 4.505 -2.187 -0.333) 5.019 10.889 ( -1.031 -5.612 -1.924) 6.022 11.524 ( -13.920 -1.885 -3.503) 14.478 11.929 ( -3.282 0.684 -0.227) 3.360 12.059 ( 0.348 1.355 4.076) 4.310 12.240 ( -2.837 2.560 -1.608) 4.146 12.424 ( 1.988 1.138 2.607) 3.470 12.704 ( -0.089 -6.249 -1.943) 6.544 13.893 ( -6.750 14.130 1.554) 15.737 14.083 ( 7.156 4.581 -4.554) 9.641 15.640 ( 4.189 0.417 5.930) 7.272 16.228 ( -4.320 3.328 0.910) 5.529 26.565 ( 0.389 -0.776 0.486) 0.995 26.577 ( 0.767 -1.148 0.461) 1.456 26.850 ( -0.712 2.413 -0.076) 2.517 26.861 ( -0.060 1.958 -0.257) 1.976 ======================= Grid point 330 (164/251) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -3.609 -1.379 0.249) 3.872 2.346 ( 5.393 -4.848 -7.996) 10.795 2.685 ( -2.487 0.344 -6.363) 6.841 3.044 ( 10.506 -5.887 8.362) 14.661 3.187 ( -7.354 -0.626 -13.663) 15.529 3.476 ( -6.311 0.291 -2.402) 6.759 3.693 ( 4.294 -2.826 -12.674) 13.677 4.053 ( 3.313 1.797 -0.098) 3.771 4.438 ( -0.439 -7.316 -3.918) 8.310 4.937 ( 5.338 -3.910 5.443) 8.568 5.115 ( 7.399 -3.937 2.141) 8.651 5.321 ( -2.352 0.197 0.746) 2.475 5.725 ( 4.517 0.493 0.539) 4.575 5.931 ( -6.032 -7.561 6.250) 11.516 6.100 ( -2.631 -5.534 0.792) 6.178 6.261 ( -1.597 -4.106 -1.570) 4.677 6.790 ( -1.187 -4.753 6.267) 7.955 6.880 ( -5.777 -2.310 8.038) 10.165 7.593 ( -2.611 1.365 1.133) 3.156 7.778 ( 4.598 6.168 0.265) 7.698 7.839 ( -0.096 7.570 -6.529) 9.997 7.851 ( 6.337 1.068 1.485) 6.596 8.421 ( 0.004 0.762 -0.152) 0.777 8.728 ( -1.597 0.499 -3.420) 3.807 10.317 ( 3.460 0.124 2.164) 4.083 10.673 ( 0.114 -3.310 2.250) 4.004 10.760 ( 4.997 -4.889 -1.363) 7.123 10.957 ( -3.213 -4.831 -1.712) 6.049 11.483 ( -9.309 -4.522 1.444) 10.450 11.880 ( -1.786 1.724 -1.060) 2.699 12.076 ( -2.482 -1.928 3.772) 4.910 12.179 ( -1.605 1.159 -2.225) 2.978 12.448 ( 2.106 -1.062 4.023) 4.664 12.787 ( -0.364 -2.666 0.579) 2.752 13.586 ( -4.909 14.264 0.586) 15.096 14.020 ( 7.962 6.650 -8.714) 13.548 15.679 ( 3.790 1.106 5.626) 6.873 16.144 ( -2.783 2.510 -1.210) 3.938 26.587 ( 0.317 -1.138 0.530) 1.295 26.609 ( 0.814 -1.534 0.372) 1.776 26.794 ( -0.800 2.970 -0.159) 3.080 26.820 ( -0.034 2.306 -0.332) 2.331 ======================= Grid point 331 (165/251) ======================= q-point: (-0.40 -0.80 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.843 6.550 -10.231) 12.287 2.462 ( 4.019 -5.964 -5.122) 8.830 2.656 ( 0.754 -0.834 -6.120) 6.223 3.068 ( -10.376 -1.276 -6.228) 12.169 3.250 ( 9.930 -2.262 5.605) 11.625 3.395 ( -0.785 2.633 -2.264) 3.560 3.761 ( 2.764 -6.032 -18.282) 19.449 4.042 ( 0.495 0.035 -6.034) 6.054 4.560 ( -0.316 -5.991 2.445) 6.479 5.030 ( 4.674 2.172 6.685) 8.441 5.147 ( 1.445 2.638 2.845) 4.140 5.357 ( 2.971 -3.058 -0.411) 4.283 5.732 ( 3.500 2.242 0.389) 4.175 5.997 ( -6.505 -3.172 4.022) 8.280 6.167 ( -3.852 -4.226 3.392) 6.649 6.357 ( -1.634 -7.622 -1.641) 7.966 6.870 ( -6.498 -2.774 7.140) 10.045 6.922 ( 2.644 -2.933 6.685) 7.764 7.547 ( -5.199 0.906 0.247) 5.283 7.695 ( 1.207 6.314 -4.669) 7.945 7.722 ( 4.597 3.527 -1.046) 5.888 7.893 ( 5.254 0.095 -1.046) 5.358 8.405 ( -1.666 0.592 3.249) 3.699 8.681 ( -1.500 1.869 -3.502) 4.244 10.330 ( 0.038 1.042 3.864) 4.002 10.684 ( -0.780 0.799 -2.100) 2.378 10.857 ( 1.110 -1.678 0.999) 2.246 11.041 ( 0.556 -7.012 -2.196) 7.368 11.537 ( -5.055 -5.879 5.104) 9.283 11.842 ( -0.062 1.078 -0.687) 1.280 12.090 ( -2.999 -0.580 2.259) 3.799 12.186 ( -0.929 -4.313 -1.483) 4.654 12.525 ( 0.759 -4.063 5.671) 7.018 12.761 ( -2.194 6.753 7.032) 9.993 13.367 ( -1.121 5.178 -4.504) 6.953 13.914 ( 8.169 7.940 -13.147) 17.396 15.695 ( 0.006 0.950 6.359) 6.429 16.095 ( 0.204 0.883 -3.343) 3.463 26.613 ( 0.302 -1.250 0.389) 1.343 26.644 ( 0.592 -1.499 0.189) 1.622 26.735 ( -0.680 2.717 0.058) 2.801 26.780 ( -0.077 1.802 -0.408) 1.849 ======================= Grid point 332 (166/251) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 5.510 12.105 -6.653) 14.872 2.522 ( 0.996 3.487 2.236) 4.260 2.712 ( 2.337 -8.587 -12.282) 15.167 3.027 ( -8.405 -4.885 -3.704) 10.403 3.320 ( 6.474 3.223 -1.048) 7.307 3.383 ( 7.250 0.466 -2.409) 7.654 3.814 ( 1.260 -5.074 -17.379) 18.148 4.015 ( -1.168 0.251 -7.631) 7.724 4.664 ( 0.487 -4.704 3.238) 5.731 4.956 ( 5.003 10.595 8.365) 14.396 5.116 ( -1.042 4.124 3.432) 5.465 5.416 ( -2.709 -1.780 -1.043) 3.405 5.730 ( 8.535 2.321 1.497) 8.970 5.976 ( -6.132 0.697 1.851) 6.443 6.210 ( -4.573 -2.303 4.884) 7.076 6.459 ( -4.117 -6.344 -2.683) 8.025 6.864 ( -5.732 0.088 8.096) 9.920 7.043 ( 5.427 -3.995 4.766) 8.254 7.469 ( -7.249 2.295 -0.402) 7.615 7.591 ( 0.049 4.112 -4.020) 5.750 7.729 ( 6.015 0.134 -1.612) 6.228 7.918 ( 3.287 -0.119 -4.430) 5.518 8.404 ( -2.823 -0.730 6.087) 6.749 8.625 ( 0.406 2.235 -2.485) 3.367 10.311 ( -2.531 1.469 4.310) 5.210 10.640 ( 1.375 2.827 -4.258) 5.293 10.854 ( -1.480 2.126 3.477) 4.336 11.144 ( 1.280 -2.995 -4.033) 5.184 11.635 ( -2.109 -6.280 6.045) 8.968 11.847 ( 1.559 -1.359 0.067) 2.069 12.076 ( -2.300 0.689 2.609) 3.545 12.281 ( 1.317 -4.912 -1.865) 5.416 12.595 ( -4.292 9.289 10.848) 14.912 12.631 ( -2.925 -5.948 7.884) 10.301 13.354 ( 2.672 -3.975 -7.120) 8.581 13.789 ( 8.114 6.777 -16.861) 19.901 15.696 ( -4.833 -0.693 7.320) 8.799 16.091 ( 2.820 -0.528 -4.651) 5.465 26.631 ( 0.278 -0.120 -0.074) 0.312 26.650 ( -0.347 1.527 -0.289) 1.593 26.711 ( 0.048 -0.813 0.811) 1.149 26.763 ( -0.002 -0.350 -0.348) 0.493 ======================= Grid point 333 (167/251) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 6.730 10.550 4.465) 13.287 2.403 ( 0.148 10.913 10.753) 15.322 2.839 ( 0.542 -7.045 -18.728) 20.017 3.070 ( -4.953 -7.845 -8.499) 12.582 3.310 ( 7.118 1.995 -1.389) 7.522 3.416 ( 9.982 2.350 -4.572) 11.228 3.831 ( -3.453 -1.242 -7.574) 8.416 3.974 ( 3.199 0.614 -10.461) 10.956 4.726 ( 4.982 5.056 6.659) 9.732 4.866 ( 0.266 2.206 4.951) 5.427 4.997 ( 0.060 8.720 4.427) 9.779 5.336 ( -9.039 3.537 -4.801) 10.828 5.798 ( 9.251 0.447 3.349) 9.849 5.908 ( -3.369 2.311 0.391) 4.104 6.196 ( -5.917 1.324 5.163) 7.964 6.485 ( -6.099 -2.102 -3.327) 7.258 6.842 ( -5.233 0.636 8.703) 10.175 7.177 ( 6.676 -3.936 3.637) 8.561 7.358 ( -6.341 3.671 -0.522) 7.345 7.523 ( 0.207 2.198 -2.676) 3.469 7.790 ( 3.150 -3.305 -3.296) 5.632 7.923 ( 2.960 -0.330 -7.081) 7.682 8.421 ( -4.225 -1.570 6.442) 7.862 8.605 ( 4.265 1.102 -1.365) 4.612 10.270 ( -3.082 2.063 3.691) 5.232 10.582 ( 3.643 4.075 -4.635) 7.167 10.787 ( -2.652 5.071 4.855) 7.504 11.120 ( -0.111 3.816 -4.644) 6.012 11.766 ( -0.212 -6.563 5.428) 8.519 11.912 ( 1.480 -3.976 0.314) 4.254 12.032 ( -0.252 4.886 5.264) 7.186 12.307 ( 0.792 1.353 0.949) 1.833 12.501 ( -4.778 1.522 3.666) 6.211 12.758 ( -4.551 -7.785 7.798) 11.922 13.464 ( 4.980 -7.143 -6.065) 10.612 13.722 ( 7.829 0.324 -16.065) 17.874 15.698 ( -9.329 -2.859 8.190) 12.739 16.123 ( 4.020 -1.742 -4.684) 6.413 26.607 ( -0.337 2.139 -0.042) 2.166 26.622 ( 0.012 1.216 -0.608) 1.360 26.747 ( 0.116 -2.367 0.980) 2.565 26.789 ( 0.089 -2.332 -0.287) 2.351 ======================= Grid point 334 (168/251) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 5.878 5.266 17.212) 18.935 2.253 ( 3.421 11.536 15.769) 19.836 2.802 ( -4.836 0.664 -17.273) 17.950 3.147 ( -2.367 -5.695 -14.541) 15.794 3.329 ( 6.835 2.996 -1.098) 7.543 3.464 ( 10.545 -2.760 -8.460) 13.797 3.739 ( -0.714 8.400 6.317) 10.534 3.987 ( 3.885 -2.077 -11.339) 12.164 4.601 ( 1.223 12.418 6.558) 14.096 4.783 ( -0.243 7.976 0.499) 7.995 4.960 ( -2.222 -0.774 2.896) 3.732 5.177 ( -2.521 4.281 -5.180) 7.177 5.806 ( -4.986 1.065 0.207) 5.103 5.892 ( 6.356 2.001 2.687) 7.185 6.112 ( -6.202 3.990 4.218) 8.496 6.433 ( -4.435 1.300 -3.234) 5.641 6.817 ( -6.409 0.416 8.966) 11.029 7.214 ( -10.334 3.805 5.513) 12.315 7.329 ( 11.203 -2.322 -2.001) 11.614 7.503 ( 2.201 0.196 -1.461) 2.649 7.840 ( -2.308 -3.172 -5.699) 6.918 7.968 ( 6.541 -4.008 -6.783) 10.240 8.432 ( -4.976 -1.593 4.477) 6.881 8.642 ( 6.754 -0.536 -1.238) 6.887 10.216 ( -2.058 2.762 2.875) 4.487 10.520 ( 4.921 5.037 -4.628) 8.427 10.667 ( -3.580 7.251 5.988) 10.062 11.009 ( 1.008 6.574 -4.370) 7.958 11.886 ( 0.327 -4.235 4.404) 6.119 11.930 ( -0.448 3.739 5.806) 6.921 12.024 ( 0.717 -3.553 1.319) 3.857 12.312 ( -0.422 -1.066 -1.285) 1.722 12.429 ( -6.875 1.544 1.496) 7.204 12.824 ( -1.142 0.373 -0.446) 1.282 13.666 ( 5.538 -12.682 -2.774) 14.114 13.796 ( 6.644 -6.152 -9.567) 13.173 15.702 ( -13.312 -4.088 9.013) 16.588 16.182 ( 3.947 -2.852 -3.381) 5.928 26.571 ( -0.125 1.640 0.169) 1.653 26.595 ( -0.106 1.354 -0.761) 1.557 26.798 ( 0.170 -2.695 1.004) 2.881 26.834 ( -0.082 -2.606 -0.331) 2.628 ======================= Grid point 338 (169/251) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -10.119 -0.000 -6.303) 11.922 2.291 ( -3.771 -0.000 12.331) 12.895 2.393 ( 4.013 0.000 18.167) 18.605 2.625 ( -8.462 -0.000 2.734) 8.893 3.131 ( 0.799 0.000 -9.366) 9.400 3.270 ( 1.551 0.000 -10.408) 10.523 3.938 ( 10.382 0.000 -7.773) 12.969 4.182 ( 1.780 0.000 -0.320) 1.808 4.359 ( 12.383 0.000 2.929) 12.725 4.492 ( 1.279 0.000 -10.878) 10.953 4.897 ( -0.713 -0.000 1.532) 1.690 5.322 ( -4.330 -0.000 7.456) 8.622 5.528 ( -10.292 -0.000 0.494) 10.304 5.639 ( 9.753 0.000 2.353) 10.033 5.966 ( -3.155 -0.000 -0.829) 3.262 6.247 ( 1.227 0.000 -4.985) 5.134 6.653 ( -3.188 -0.000 4.984) 5.916 6.810 ( -5.829 -0.000 8.593) 10.384 7.683 ( 4.821 0.000 5.267) 7.141 7.767 ( 0.653 0.000 1.920) 2.029 8.058 ( 6.305 0.000 -0.394) 6.318 8.236 ( -4.557 -0.000 -0.186) 4.561 8.376 ( 5.894 0.000 -10.091) 11.686 8.719 ( -3.343 -0.000 -1.123) 3.527 10.317 ( 7.090 0.000 2.203) 7.425 10.335 ( 5.723 0.000 -2.785) 6.365 10.625 ( 4.688 0.000 2.325) 5.233 10.760 ( 0.289 0.000 -2.090) 2.110 11.497 ( -13.033 -0.000 -6.428) 14.532 11.912 ( -3.503 -0.000 0.217) 3.510 12.175 ( 2.042 0.000 3.466) 4.022 12.299 ( -4.055 -0.000 -1.246) 4.242 12.445 ( 0.015 0.000 -0.462) 0.462 12.533 ( 0.308 0.000 -0.259) 0.403 14.162 ( 5.612 0.000 -1.653) 5.850 14.176 ( -8.985 -0.000 2.279) 9.270 15.648 ( 5.824 0.000 5.713) 8.158 16.301 ( -6.184 -0.000 3.090) 6.913 26.551 ( 0.608 0.000 0.441) 0.751 26.557 ( 0.687 0.000 0.814) 1.066 26.897 ( -0.679 -0.000 0.290) 0.739 26.898 ( -0.157 -0.000 -0.611) 0.631 ======================= Grid point 339 (170/251) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -10.003 0.439 -1.171) 10.081 2.231 ( -0.934 1.621 4.967) 5.308 2.597 ( -7.813 -3.346 1.325) 8.602 2.644 ( 0.893 -13.266 13.556) 18.988 3.169 ( 1.559 -4.474 -11.000) 11.977 3.259 ( 1.459 -1.781 -9.309) 9.590 3.938 ( 9.713 7.102 -3.481) 12.526 4.190 ( -0.300 -2.099 -13.009) 13.181 4.248 ( -0.553 7.026 3.652) 7.938 4.731 ( 5.648 -12.454 -0.955) 13.708 4.891 ( 7.394 -0.207 4.799) 8.817 5.323 ( -2.984 -0.506 2.034) 3.647 5.547 ( -8.723 -8.712 2.994) 12.687 5.731 ( 7.009 -1.552 1.983) 7.448 5.951 ( -2.922 -1.772 -0.829) 3.516 6.229 ( 0.027 0.842 -3.909) 3.999 6.671 ( -0.479 -1.725 5.150) 5.452 6.808 ( -4.349 -1.097 7.850) 9.041 7.688 ( 0.201 3.481 3.558) 4.982 7.803 ( 2.295 -1.754 3.567) 4.589 8.061 ( 6.183 5.241 1.281) 8.206 8.131 ( -1.829 6.763 -3.492) 7.828 8.406 ( 2.817 -1.636 -6.851) 7.586 8.697 ( -3.926 -1.421 -2.036) 4.646 10.332 ( 6.892 1.494 -0.506) 7.070 10.465 ( 5.986 -5.743 1.730) 8.474 10.671 ( 3.146 -1.054 0.500) 3.355 10.785 ( -1.650 -3.459 -1.840) 4.251 11.388 ( -10.672 -0.730 -3.647) 11.302 11.883 ( -5.294 -1.097 -1.542) 5.622 12.147 ( 1.238 5.072 3.608) 6.347 12.251 ( -2.691 1.705 -0.611) 3.244 12.455 ( 0.518 -0.749 0.043) 0.912 12.587 ( 0.602 -5.087 -0.855) 5.194 14.041 ( -8.943 7.825 4.002) 12.539 14.180 ( 5.473 2.105 -3.135) 6.649 15.721 ( 9.080 0.759 4.372) 10.107 16.239 ( -6.757 1.933 2.219) 7.370 26.561 ( 0.599 -0.331 0.656) 0.948 26.570 ( 0.813 -0.576 0.821) 1.291 26.878 ( -0.778 1.432 -0.204) 1.642 26.886 ( -0.153 1.007 -0.394) 1.092 ======================= Grid point 340 (171/251) ======================= q-point: (-0.50 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -9.416 -2.277 0.701) 9.712 2.273 ( 2.250 -4.314 -2.562) 5.499 2.610 ( -5.861 -3.480 0.692) 6.851 2.932 ( 1.315 -14.040 3.665) 14.570 3.109 ( -5.129 3.300 -16.168) 17.281 3.360 ( 5.011 -6.898 -3.141) 9.086 3.805 ( 3.318 10.779 -1.910) 11.439 4.123 ( 1.514 3.422 -2.359) 4.423 4.298 ( 2.134 -7.652 -2.896) 8.456 4.876 ( 0.105 -6.375 -0.370) 6.387 5.112 ( 13.773 -6.501 4.426) 15.860 5.312 ( -1.199 0.046 0.446) 1.281 5.654 ( -8.786 -8.589 2.602) 12.559 5.808 ( 1.316 -3.038 0.562) 3.358 5.994 ( -0.765 -4.516 1.472) 4.811 6.202 ( -1.745 -0.194 -1.853) 2.553 6.734 ( 0.185 -2.985 5.558) 6.312 6.840 ( -0.738 -2.221 6.686) 7.084 7.618 ( -3.398 3.593 2.841) 5.703 7.852 ( 2.188 0.518 1.644) 2.786 7.968 ( -0.280 7.091 -2.689) 7.590 8.003 ( 7.091 7.875 1.155) 10.659 8.418 ( 0.080 -0.448 -3.813) 3.840 8.686 ( -3.491 -1.431 -3.661) 5.257 10.365 ( 5.059 0.870 1.172) 5.265 10.615 ( 3.599 -5.189 2.272) 6.712 10.718 ( 1.961 -2.562 -1.833) 3.711 10.825 ( -4.910 -4.752 -2.059) 7.137 11.354 ( -5.436 -3.326 1.603) 6.572 11.860 ( -3.987 -1.200 -2.825) 5.032 12.077 ( -1.357 3.160 3.401) 4.837 12.197 ( -1.321 2.245 -0.782) 2.720 12.472 ( 1.985 -0.006 1.894) 2.744 12.695 ( 0.451 -6.315 -1.676) 6.549 13.801 ( -7.332 12.885 4.784) 15.578 14.149 ( 5.613 4.511 -6.106) 9.441 15.777 ( 7.903 2.635 4.449) 9.444 16.157 ( -4.566 2.136 0.070) 5.042 26.576 ( 0.403 -0.643 0.752) 1.068 26.595 ( 0.948 -1.041 0.663) 1.557 26.835 ( -0.868 2.405 -0.261) 2.570 26.857 ( -0.068 1.902 -0.494) 1.966 ======================= Grid point 341 (172/251) ======================= q-point: (-0.40 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -5.852 -4.263 -3.403) 8.000 2.363 ( 2.253 -4.880 -8.620) 10.158 2.634 ( -0.319 -1.901 0.459) 1.981 2.926 ( -11.468 2.136 -13.127) 17.561 3.183 ( 1.521 -12.101 -2.089) 12.374 3.494 ( 9.328 0.087 3.858) 10.095 3.666 ( 1.721 3.531 -7.349) 8.333 4.071 ( 3.322 2.598 -9.310) 10.220 4.466 ( 2.129 -7.187 5.273) 9.164 5.000 ( -1.327 -6.937 1.258) 7.174 5.245 ( 5.977 2.227 2.984) 7.042 5.335 ( 3.413 -1.909 -0.268) 3.920 5.724 ( -5.835 -5.535 1.459) 8.174 5.874 ( -2.647 -4.429 0.615) 5.196 6.081 ( -0.489 -3.749 3.757) 5.330 6.219 ( -2.939 -4.672 -0.490) 5.541 6.802 ( -2.460 -2.955 6.500) 7.552 6.926 ( 5.434 -2.898 4.961) 7.908 7.534 ( -5.933 2.606 2.024) 6.789 7.774 ( -1.220 5.944 -4.645) 7.642 7.881 ( 5.369 6.054 0.769) 8.128 7.957 ( 5.460 3.240 1.552) 6.536 8.403 ( -2.236 0.142 -0.347) 2.267 8.663 ( -2.786 -0.390 -4.369) 5.196 10.367 ( -0.707 1.886 3.806) 4.306 10.682 ( 1.967 -0.583 -3.211) 3.811 10.809 ( 1.588 -4.843 -0.197) 5.100 10.888 ( -3.378 -7.612 -0.665) 8.355 11.423 ( -1.627 -5.309 5.873) 8.082 11.842 ( -1.365 -0.213 -2.720) 3.051 12.049 ( -3.680 -0.999 2.849) 4.760 12.151 ( -0.281 1.316 -1.149) 1.769 12.509 ( 2.256 -1.361 3.453) 4.343 12.787 ( 0.265 -3.271 -0.346) 3.299 13.524 ( -4.503 13.242 3.461) 14.409 14.063 ( 5.496 6.871 -10.088) 13.386 15.772 ( 2.297 4.198 5.669) 7.419 16.105 ( 0.285 1.104 -2.535) 2.780 26.596 ( 0.288 -1.046 0.711) 1.297 26.625 ( 0.799 -1.292 0.364) 1.562 26.780 ( -0.740 2.836 -0.075) 2.932 26.816 ( -0.084 2.314 -0.599) 2.392 ======================= Grid point 342 (173/251) ======================= q-point: (-0.30 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 1.394 1.496 -6.592) 6.902 2.424 ( -0.419 -6.288 -12.023) 13.574 2.662 ( 3.434 1.211 -2.039) 4.174 2.825 ( -12.741 -6.215 -4.723) 14.942 3.363 ( 2.832 -6.531 -4.070) 8.200 3.499 ( 9.554 6.686 5.602) 12.937 3.677 ( 2.503 -4.057 -12.359) 13.246 4.019 ( 4.900 2.552 -12.518) 13.683 4.605 ( 1.136 -4.934 7.038) 8.670 5.066 ( -4.569 -1.696 0.468) 4.896 5.229 ( 5.615 5.245 5.000) 9.167 5.373 ( -1.458 -1.046 -0.044) 1.795 5.785 ( -2.163 -3.687 2.518) 4.961 5.917 ( -0.660 -1.989 -0.066) 2.097 6.136 ( -3.184 -2.618 5.369) 6.769 6.302 ( -3.324 -6.453 -0.852) 7.309 6.842 ( -3.020 -1.384 7.091) 7.831 7.052 ( 8.479 -3.071 4.143) 9.924 7.442 ( -7.961 2.016 0.323) 8.218 7.652 ( -0.897 4.653 -4.394) 6.462 7.827 ( 5.484 4.965 0.726) 7.433 7.947 ( 3.788 1.939 -2.881) 5.139 8.386 ( -3.824 -0.478 3.974) 5.536 8.635 ( -0.880 0.091 -3.451) 3.562 10.326 ( -4.305 1.601 4.846) 6.677 10.684 ( 4.302 1.256 -5.243) 6.897 10.857 ( -2.458 -1.148 2.366) 3.600 11.037 ( 0.563 -8.390 -1.792) 8.598 11.537 ( -0.379 -5.655 6.992) 9.001 11.832 ( -0.527 -0.511 -1.581) 1.743 12.057 ( -3.070 -1.340 2.399) 4.120 12.168 ( -0.165 -4.549 -0.751) 4.613 12.572 ( 0.232 -2.416 5.085) 5.635 12.773 ( -1.827 6.259 5.973) 8.842 13.341 ( 1.049 3.981 -2.532) 4.833 13.926 ( 5.261 8.133 -14.518) 17.453 15.717 ( -2.793 3.594 6.727) 8.122 16.098 ( 3.344 0.303 -4.089) 5.291 26.621 ( 0.307 -1.156 0.503) 1.297 26.652 ( 0.242 -0.896 -0.124) 0.936 26.728 ( -0.319 2.234 0.455) 2.303 26.775 ( -0.137 1.767 -0.640) 1.884 ======================= Grid point 343 (174/251) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 7.564 8.197 -1.789) 11.297 2.513 ( -1.745 -6.296 -7.052) 9.613 2.631 ( -0.862 -0.827 -9.770) 9.842 2.882 ( -5.067 -7.053 -1.826) 8.874 3.409 ( 6.105 2.236 -2.160) 6.851 3.518 ( 7.374 0.646 -2.646) 7.861 3.717 ( 1.565 -2.691 -8.883) 9.413 3.977 ( 4.842 1.295 -13.448) 14.351 4.728 ( 3.056 -4.477 6.780) 8.681 4.998 ( -5.472 4.102 -0.037) 6.839 5.176 ( 4.361 7.682 6.464) 10.946 5.330 ( -4.538 3.167 -0.622) 5.568 5.808 ( -8.081 -2.298 0.811) 8.440 5.961 ( 8.296 0.720 2.366) 8.657 6.164 ( -4.450 -1.385 5.887) 7.509 6.362 ( -5.353 -4.235 -1.469) 6.982 6.854 ( -2.397 0.485 8.003) 8.368 7.186 ( 6.794 -2.621 5.508) 9.131 7.346 ( -5.711 1.336 -2.878) 6.533 7.567 ( 0.241 3.120 -2.859) 4.239 7.787 ( 0.982 2.240 -2.328) 3.376 7.935 ( 4.199 1.060 -5.456) 6.966 8.386 ( -4.711 -1.081 6.431) 8.045 8.633 ( 2.327 -0.420 -1.916) 3.043 10.284 ( -4.041 1.196 4.415) 6.103 10.669 ( 5.831 2.993 -4.989) 8.237 10.840 ( -3.496 1.617 4.100) 5.626 11.126 ( -0.083 -1.779 -3.341) 3.786 11.669 ( 0.833 -6.310 5.905) 8.682 11.847 ( -1.644 -2.667 -0.576) 3.186 12.066 ( -1.398 -0.559 3.409) 3.726 12.284 ( 0.930 -6.329 -2.485) 6.863 12.604 ( -4.129 10.108 10.945) 15.460 12.631 ( -3.958 -3.449 7.718) 9.334 13.377 ( 5.941 -4.794 -6.566) 10.069 13.779 ( 5.638 5.941 -17.852) 19.641 15.658 ( -5.637 1.756 7.612) 9.634 16.115 ( 3.684 -0.691 -4.479) 5.841 26.637 ( 0.375 0.282 0.034) 0.470 26.642 ( -0.354 1.624 -0.379) 1.705 26.718 ( 0.010 -0.934 0.938) 1.323 26.759 ( -0.032 -0.616 -0.510) 0.800 ======================= Grid point 344 (175/251) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 8.828 7.895 8.148) 14.376 2.497 ( 2.575 6.805 10.311) 12.620 2.653 ( -3.312 -6.625 -24.416) 25.515 2.954 ( -2.836 -6.245 -6.618) 9.531 3.432 ( 7.983 -0.009 -3.806) 8.844 3.523 ( 7.946 4.091 -6.596) 11.107 3.742 ( -2.880 -3.036 -1.491) 4.442 3.963 ( 5.530 -0.028 -13.231) 14.340 4.816 ( 0.243 3.832 4.094) 5.612 4.878 ( 1.116 3.359 3.770) 5.172 5.032 ( -6.902 9.586 2.226) 12.020 5.239 ( 4.423 4.620 0.877) 6.456 5.762 ( -8.773 -0.589 -1.126) 8.864 6.006 ( 5.769 2.753 4.586) 7.868 6.145 ( -2.574 2.556 4.460) 5.749 6.366 ( -6.022 -2.298 -0.978) 6.520 6.839 ( -2.851 2.184 8.672) 9.386 7.203 ( -9.804 1.765 6.551) 11.923 7.372 ( 11.835 -2.555 -4.138) 12.795 7.528 ( 2.003 1.404 -0.945) 2.623 7.754 ( -2.519 -1.317 -5.738) 6.403 7.945 ( 3.762 -0.873 -5.658) 6.851 8.390 ( -4.246 -1.093 5.686) 7.180 8.671 ( 4.579 -1.067 -1.327) 4.886 10.248 ( -2.378 1.579 3.508) 4.523 10.636 ( 6.564 4.321 -4.311) 8.963 10.769 ( -3.762 4.883 5.127) 8.018 11.092 ( 0.193 3.390 -3.665) 4.997 11.790 ( -1.120 -4.936 3.070) 5.920 11.902 ( -3.057 -5.103 1.071) 6.044 12.068 ( 0.253 1.941 5.187) 5.544 12.307 ( -0.802 1.681 -1.550) 2.423 12.458 ( -3.967 5.803 5.215) 8.753 12.742 ( -4.295 -7.760 8.265) 12.123 13.508 ( 5.570 -7.175 -7.841) 11.999 13.732 ( 7.348 -2.338 -14.559) 16.475 15.619 ( -7.108 0.088 8.418) 11.018 16.151 ( 2.802 -2.071 -3.769) 5.133 26.603 ( -0.117 1.963 0.030) 1.967 26.620 ( 0.247 1.553 -0.404) 1.623 26.754 ( -0.078 -2.496 0.875) 2.646 26.787 ( -0.038 -2.307 -0.425) 2.346 ======================= Grid point 349 (176/251) ======================= q-point: (-0.60 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -8.580 -0.000 -6.233) 10.606 2.251 ( -10.097 -0.000 6.543) 12.032 2.517 ( -6.306 -0.000 4.467) 7.728 2.542 ( 0.537 0.000 13.189) 13.200 3.136 ( 6.344 0.000 -3.594) 7.291 3.229 ( 0.892 0.000 -9.628) 9.669 4.045 ( -8.774 -0.000 -10.723) 13.855 4.109 ( 16.205 0.000 -4.905) 16.931 4.413 ( -3.182 -0.000 -5.388) 6.257 4.566 ( -0.703 -0.000 6.593) 6.630 4.968 ( 11.247 0.000 4.378) 12.069 5.320 ( 0.403 0.000 0.473) 0.622 5.407 ( -4.996 -0.000 0.772) 5.055 5.761 ( 1.677 0.000 0.656) 1.801 5.915 ( -1.130 -0.000 0.593) 1.276 6.227 ( -0.301 -0.000 -3.827) 3.839 6.683 ( 2.986 0.000 4.679) 5.550 6.795 ( -2.681 -0.000 6.847) 7.353 7.768 ( -1.968 -0.000 3.099) 3.671 7.781 ( 2.948 0.000 4.935) 5.749 8.151 ( -3.531 -0.000 3.794) 5.183 8.184 ( 5.752 0.000 -2.175) 6.149 8.383 ( 3.394 0.000 -9.513) 10.100 8.636 ( -5.530 -0.000 -2.033) 5.892 10.419 ( 6.574 0.000 -1.620) 6.770 10.449 ( 6.674 0.000 2.136) 7.008 10.675 ( -0.009 -0.000 0.280) 0.280 10.739 ( -1.325 -0.000 -2.125) 2.504 11.307 ( -5.669 -0.000 -1.778) 5.941 11.813 ( -7.034 -0.000 -3.198) 7.726 12.219 ( -0.742 -0.000 3.072) 3.161 12.279 ( 2.503 0.000 1.276) 2.810 12.394 ( -4.187 -0.000 -1.712) 4.523 12.563 ( 2.287 0.000 -0.140) 2.291 14.054 ( -9.381 -0.000 5.545) 10.897 14.227 ( 4.417 0.000 -2.972) 5.324 15.831 ( 12.851 0.000 3.148) 13.231 16.204 ( -7.942 -0.000 2.235) 8.251 26.567 ( 0.859 0.000 0.849) 1.207 26.574 ( 0.681 0.000 0.968) 1.184 26.884 ( -1.029 -0.000 -0.063) 1.031 26.892 ( 0.016 0.000 -0.786) 0.786 ======================= Grid point 350 (177/251) ======================= q-point: (-0.50 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -11.602 -0.676 -1.017) 11.666 2.196 ( -8.104 -2.775 1.803) 8.754 2.516 ( -3.909 -2.235 6.055) 7.546 2.700 ( 1.499 -11.013 2.560) 11.405 3.113 ( -1.241 4.849 -10.852) 11.951 3.291 ( 6.900 -6.575 1.338) 9.625 3.932 ( -6.497 1.364 -8.640) 10.896 4.198 ( -3.719 8.379 -2.821) 9.591 4.253 ( 13.033 -0.995 1.674) 13.178 4.695 ( -7.434 -10.083 -1.850) 12.663 5.147 ( 17.213 -4.644 5.002) 18.516 5.312 ( 1.047 0.395 -1.384) 1.780 5.452 ( -4.755 -6.325 0.758) 7.949 5.761 ( -3.123 -1.712 -2.198) 4.185 5.946 ( 1.551 -2.246 3.651) 4.558 6.196 ( -1.612 1.107 -2.826) 3.436 6.735 ( 3.443 -0.372 4.961) 6.050 6.825 ( 1.532 -2.221 4.928) 5.618 7.688 ( -2.734 5.393 4.159) 7.339 7.863 ( 2.114 -2.284 3.103) 4.395 8.058 ( -5.150 5.299 0.060) 7.390 8.191 ( 7.719 5.515 1.657) 9.630 8.384 ( 0.158 -1.095 -6.943) 7.031 8.606 ( -4.761 -2.124 -3.592) 6.331 10.433 ( 4.844 1.807 0.646) 5.211 10.560 ( 3.016 -5.128 1.612) 6.163 10.672 ( -2.208 -0.701 -2.679) 3.542 10.735 ( -1.334 -1.888 -2.060) 3.096 11.298 ( 0.251 -1.456 2.509) 2.912 11.767 ( -6.378 -2.526 -4.380) 8.139 12.172 ( -1.019 5.968 3.040) 6.775 12.230 ( -0.218 2.572 0.400) 2.612 12.452 ( -0.279 -4.594 0.372) 4.618 12.601 ( 1.620 -3.212 -1.374) 3.851 13.940 ( -8.229 7.003 6.409) 12.563 14.227 ( 3.483 2.179 -4.117) 5.817 15.922 ( 12.290 2.981 3.104) 13.022 16.143 ( -5.690 0.638 0.676) 5.765 26.576 ( 0.578 -0.073 0.943) 1.109 26.590 ( 0.892 -0.663 0.853) 1.401 26.862 ( -0.975 1.415 -0.218) 1.732 26.881 ( 0.004 0.968 -0.753) 1.226 ======================= Grid point 351 (178/251) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -12.870 -4.324 1.012) 13.615 2.230 ( -5.967 -6.779 -4.039) 9.893 2.568 ( -1.644 -3.633 5.636) 6.904 2.899 ( -2.298 0.694 -11.749) 11.992 2.962 ( 1.021 -6.121 -5.235) 8.119 3.498 ( 10.310 -6.746 1.690) 12.437 3.814 ( -1.031 6.690 -1.218) 6.877 4.067 ( -3.040 0.417 -6.502) 7.190 4.409 ( 8.258 -3.910 5.055) 10.442 4.802 ( -7.793 -10.228 -2.638) 13.127 5.314 ( 2.860 0.470 0.580) 2.956 5.337 ( 6.621 -1.704 -1.275) 6.954 5.538 ( -3.943 -7.524 3.083) 9.036 5.792 ( -0.760 -4.524 -1.846) 4.945 6.036 ( 2.305 -4.321 4.479) 6.636 6.156 ( -2.662 0.207 -1.451) 3.039 6.778 ( 0.570 -1.013 5.697) 5.815 6.932 ( 7.601 -3.655 2.740) 8.868 7.571 ( -5.475 5.493 4.258) 8.847 7.857 ( -0.986 5.409 -3.160) 6.342 7.957 ( -0.591 1.554 2.427) 2.942 8.135 ( 7.204 7.641 2.848) 10.880 8.370 ( -2.989 -0.679 -3.375) 4.559 8.599 ( -3.352 -2.061 -5.217) 6.535 10.408 ( -3.067 2.824 3.013) 5.143 10.669 ( 0.974 -1.851 -5.186) 5.592 10.688 ( 0.352 -7.547 1.527) 7.708 10.771 ( -0.585 -3.143 -1.264) 3.438 11.375 ( 3.684 -3.175 6.366) 8.011 11.772 ( -3.639 -3.906 -4.850) 7.212 12.064 ( -2.859 4.541 2.846) 6.074 12.190 ( 0.616 2.509 0.125) 2.586 12.512 ( 1.343 -1.670 2.006) 2.936 12.695 ( 1.373 -6.036 -2.710) 6.757 13.732 ( -6.427 11.756 6.705) 14.982 14.172 ( 2.620 4.763 -6.714) 8.638 15.911 ( 3.442 6.253 4.042) 8.202 16.122 ( 2.904 0.518 -1.652) 3.381 26.587 ( 0.289 -0.472 0.911) 1.065 26.613 ( 0.835 -0.894 0.471) 1.312 26.821 ( -0.774 2.283 -0.063) 2.412 26.852 ( 0.001 1.902 -0.774) 2.053 ======================= Grid point 352 (179/251) ======================= q-point: (-0.30 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -10.644 -8.365 -2.337) 13.737 2.298 ( -4.123 -6.936 -5.727) 9.895 2.633 ( -5.294 -3.055 -3.863) 7.230 2.736 ( 3.509 4.650 -3.855) 6.986 3.184 ( 3.689 -11.709 -5.566) 13.480 3.632 ( 4.162 1.091 -9.464) 10.396 3.723 ( 8.851 3.896 7.524) 12.253 4.049 ( 3.136 -0.460 -11.137) 11.579 4.541 ( 0.958 -4.813 7.501) 8.963 4.913 ( -8.574 -9.101 -1.729) 12.623 5.304 ( -4.707 0.396 1.877) 5.083 5.362 ( 2.620 0.127 -1.337) 2.944 5.648 ( -2.942 -4.989 2.631) 6.361 5.888 ( 3.713 -4.554 1.459) 6.054 6.126 ( 1.758 -0.394 1.319) 2.233 6.174 ( -1.187 -5.903 1.623) 6.236 6.823 ( -0.341 -1.561 6.028) 6.236 7.079 ( 10.239 -3.715 1.844) 11.047 7.439 ( -8.265 4.577 3.260) 9.994 7.720 ( -2.094 5.732 -3.252) 6.915 7.930 ( 0.506 3.151 -0.705) 3.268 8.064 ( 6.629 6.794 0.528) 9.507 8.350 ( -4.442 -0.946 1.873) 4.912 8.593 ( -1.937 -1.823 -4.787) 5.476 10.332 ( -6.421 1.931 4.203) 7.913 10.704 ( 3.781 -1.344 -5.128) 6.511 10.800 ( -2.491 -3.214 -0.060) 4.066 10.870 ( 1.401 -9.357 0.927) 9.507 11.490 ( 3.572 -3.435 7.539) 9.022 11.799 ( -1.287 -2.373 -3.736) 4.609 12.002 ( -4.394 -0.228 2.489) 5.055 12.157 ( 1.432 1.606 0.140) 2.157 12.560 ( 1.018 -1.542 3.336) 3.814 12.794 ( 1.671 -3.636 -1.903) 4.431 13.491 ( -3.390 11.697 5.031) 13.176 14.051 ( 1.846 7.236 -10.466) 12.857 15.816 ( -0.773 6.403 4.550) 7.893 16.131 ( 4.952 1.423 -2.854) 5.890 26.605 ( 0.118 -0.990 0.764) 1.256 26.636 ( 0.417 -0.956 -0.057) 1.044 26.772 ( -0.417 2.585 0.332) 2.639 26.810 ( 0.006 2.356 -0.766) 2.477 ======================= Grid point 353 (180/251) ======================= q-point: (-0.20 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -5.498 -8.871 -5.749) 11.915 2.367 ( 3.456 -3.267 -8.009) 9.314 2.560 ( -7.499 -2.066 -9.016) 11.907 2.798 ( 5.510 -2.134 5.973) 8.402 3.367 ( 2.056 -8.044 -6.193) 10.358 3.545 ( 0.416 4.099 -6.888) 8.026 3.792 ( 12.821 1.895 -0.194) 12.962 4.024 ( 7.125 3.410 -14.042) 16.112 4.669 ( -1.085 -6.725 8.096) 10.580 4.952 ( -6.403 -2.786 -2.107) 7.294 5.254 ( -9.328 0.417 2.424) 9.647 5.374 ( 2.553 1.133 2.059) 3.470 5.676 ( -6.229 -2.143 -0.175) 6.590 6.001 ( 2.420 -3.161 5.786) 7.024 6.157 ( 2.962 -1.371 1.046) 3.428 6.269 ( 0.427 -3.111 1.076) 3.320 6.866 ( -0.536 -0.942 7.041) 7.124 7.226 ( 8.160 -1.815 5.349) 9.924 7.312 ( -6.690 1.688 -1.835) 7.140 7.613 ( -1.363 3.577 -2.167) 4.398 7.845 ( -1.309 4.671 -4.017) 6.298 8.004 ( 5.047 4.504 -3.169) 7.470 8.349 ( -4.607 -1.233 6.302) 7.903 8.610 ( 0.338 -2.381 -2.988) 3.835 10.281 ( -4.743 0.569 4.508) 6.569 10.732 ( 4.933 0.417 -4.428) 6.641 10.818 ( -3.898 -1.630 1.663) 4.541 11.040 ( 1.481 -6.852 -0.805) 7.057 11.606 ( 2.661 -4.280 6.570) 8.280 11.802 ( -1.817 -0.508 -1.369) 2.331 12.023 ( -3.262 -3.977 2.063) 5.542 12.177 ( 1.402 -3.082 0.351) 3.404 12.594 ( -1.671 -0.792 4.917) 5.253 12.785 ( -1.638 6.479 5.226) 8.484 13.363 ( 3.518 1.656 -2.184) 4.459 13.881 ( 1.777 7.995 -14.667) 16.799 15.715 ( -2.184 5.234 5.538) 7.926 16.131 ( 3.600 0.997 -3.664) 5.232 26.629 ( 0.151 -1.221 0.519) 1.335 26.649 ( -0.176 -0.303 -0.538) 0.642 26.730 ( -0.096 1.786 0.788) 1.954 26.769 ( 0.090 1.772 -0.660) 1.893 ======================= Grid point 354 (181/251) ======================= q-point: (-0.10 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 2.413 -1.952 -1.829) 3.603 2.418 ( 4.758 -4.380 -18.131) 19.250 2.558 ( -4.074 -3.512 0.682) 5.422 2.884 ( 3.344 -1.039 4.097) 5.390 3.465 ( 4.681 -0.401 -7.261) 8.649 3.480 ( -4.192 -4.095 -6.752) 8.940 3.829 ( 11.498 6.444 0.044) 13.180 3.968 ( 6.857 1.123 -16.076) 17.514 4.793 ( -2.630 -5.000 3.330) 6.558 4.938 ( 1.201 0.559 2.477) 2.809 5.120 ( -10.464 6.697 0.263) 12.426 5.374 ( 1.924 2.172 4.079) 5.006 5.647 ( -7.147 -1.479 -1.603) 7.472 6.061 ( -1.914 -0.797 7.776) 8.048 6.223 ( 8.094 0.420 1.488) 8.240 6.288 ( -3.073 -0.299 0.643) 3.154 6.887 ( -1.040 1.101 8.421) 8.556 7.176 ( -10.376 2.157 6.006) 12.181 7.397 ( 11.959 -3.443 -3.266) 12.866 7.561 ( 0.429 1.064 -0.981) 1.510 7.735 ( -2.270 3.402 -5.895) 7.174 7.959 ( 1.890 2.154 -4.841) 5.626 8.360 ( -3.755 -1.140 7.001) 8.026 8.659 ( 2.195 -2.682 -1.976) 3.989 10.261 ( -2.278 0.444 4.102) 4.713 10.734 ( 4.982 2.278 -3.058) 6.273 10.807 ( -2.968 0.791 2.475) 3.944 11.106 ( 0.226 -0.538 -2.142) 2.220 11.724 ( 1.376 -3.905 3.309) 5.300 11.797 ( -4.151 -2.712 1.046) 5.067 12.075 ( -0.593 -2.113 3.384) 4.034 12.278 ( 0.691 -4.848 -2.944) 5.714 12.610 ( -5.205 3.542 11.432) 13.051 12.617 ( -3.700 3.644 7.225) 8.898 13.433 ( 6.140 -4.072 -7.243) 10.331 13.734 ( 4.393 3.233 -16.753) 17.619 15.639 ( -2.743 3.319 6.589) 7.871 16.134 ( 2.015 -0.393 -3.743) 4.269 26.634 ( -0.237 1.434 -0.324) 1.489 26.644 ( 0.433 0.385 0.110) 0.590 26.721 ( -0.434 -0.840 0.651) 1.148 26.757 ( 0.211 -0.643 -0.375) 0.773 ======================= Grid point 360 (182/251) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -12.942 -0.000 -0.960) 12.977 2.062 ( -17.420 -0.000 5.511) 18.271 2.532 ( 3.805 0.000 4.584) 5.957 2.630 ( 5.510 0.000 2.727) 6.148 3.152 ( -2.682 -0.000 -7.904) 8.347 3.254 ( 4.492 0.000 6.912) 8.243 3.804 ( -12.250 -0.000 -7.988) 14.624 4.248 ( 0.959 0.000 -8.730) 8.783 4.442 ( 12.615 0.000 4.302) 13.329 4.448 ( -12.741 -0.000 0.523) 12.752 5.258 ( 17.618 0.000 2.314) 17.769 5.321 ( 2.055 0.000 -6.512) 6.829 5.388 ( 1.372 0.000 3.868) 4.104 5.691 ( -6.492 -0.000 -3.974) 7.612 5.956 ( 1.738 0.000 5.237) 5.518 6.179 ( -2.585 -0.000 -3.373) 4.249 6.806 ( 8.637 0.000 3.598) 9.357 6.818 ( 0.810 0.000 3.748) 3.834 7.759 ( -2.579 -0.000 4.833) 5.477 7.845 ( 1.518 0.000 4.209) 4.474 8.060 ( -7.335 -0.000 1.312) 7.451 8.314 ( 7.942 0.000 1.960) 8.180 8.345 ( -1.109 -0.000 -7.760) 7.839 8.530 ( -4.817 -0.000 -4.059) 6.299 10.485 ( -5.732 -0.000 1.690) 5.976 10.512 ( 5.574 0.000 -0.068) 5.574 10.671 ( 3.078 0.000 -2.806) 4.165 10.689 ( -2.529 -0.000 -2.937) 3.876 11.320 ( 5.386 0.000 4.521) 7.033 11.667 ( -7.132 -0.000 -5.421) 8.958 12.228 ( 0.127 0.000 2.494) 2.497 12.311 ( -4.740 -0.000 -1.204) 4.890 12.346 ( 2.883 0.000 3.440) 4.488 12.586 ( 1.529 0.000 -2.216) 2.693 13.962 ( -7.834 -0.000 7.161) 10.614 14.255 ( 1.643 0.000 -3.263) 3.653 16.082 ( 16.436 0.000 1.979) 16.555 16.096 ( -6.474 -0.000 0.389) 6.486 26.587 ( 0.804 0.000 0.897) 1.205 26.591 ( 0.617 0.000 0.937) 1.122 26.866 ( -1.067 -0.000 -0.190) 1.084 26.888 ( 0.186 0.000 -0.851) 0.871 ======================= Grid point 361 (183/251) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -15.999 -0.959 3.224) 16.349 2.008 ( -16.247 -6.666 3.295) 17.868 2.572 ( 5.254 0.583 4.910) 7.214 2.784 ( 9.514 -8.181 -2.362) 12.768 2.994 ( -4.964 7.738 -6.951) 11.526 3.427 ( 1.816 -10.676 9.473) 14.388 3.738 ( -7.818 -3.857 -7.578) 11.551 4.103 ( -5.123 7.349 -3.806) 9.734 4.450 ( 0.136 -6.056 0.620) 6.089 4.579 ( 3.513 -2.746 -0.001) 4.459 5.321 ( 2.657 -0.821 -5.934) 6.553 5.350 ( 1.663 0.717 -3.054) 3.550 5.488 ( 10.610 -2.903 6.330) 12.691 5.679 ( -2.177 -5.666 -3.079) 6.806 6.005 ( 1.272 -2.200 5.304) 5.881 6.139 ( -2.751 0.486 -3.382) 4.387 6.814 ( 2.600 1.468 3.524) 4.619 6.937 ( 9.286 -3.652 1.532) 10.095 7.666 ( -4.731 7.052 6.206) 10.518 7.910 ( 2.115 -0.430 0.428) 2.201 7.970 ( -6.348 2.460 2.867) 7.388 8.289 ( -1.554 2.418 -4.644) 5.462 8.345 ( 4.124 2.346 2.123) 5.198 8.510 ( -3.180 -2.586 -5.952) 7.227 10.418 ( -8.284 1.542 1.003) 8.486 10.565 ( -0.564 -2.764 1.008) 2.996 10.663 ( 2.379 -1.128 -2.694) 3.767 10.720 ( 1.747 -2.429 -3.100) 4.308 11.408 ( 8.412 -1.235 6.845) 10.915 11.637 ( -5.195 -4.325 -6.030) 9.059 12.160 ( -2.774 6.762 2.385) 7.689 12.241 ( 1.023 1.948 1.132) 2.474 12.462 ( 0.367 -5.383 2.064) 5.777 12.610 ( 1.616 -2.965 -3.523) 4.880 13.870 ( -6.766 6.457 7.666) 12.093 14.228 ( -0.011 2.424 -3.899) 4.591 16.021 ( -2.752 3.387 0.148) 4.366 16.201 ( 14.088 2.004 0.596) 14.242 26.590 ( 0.365 0.158 0.894) 0.978 26.608 ( 0.690 -0.656 0.496) 1.073 26.846 ( -0.843 1.239 -0.042) 1.499 26.877 ( 0.229 1.052 -0.791) 1.336 ======================= Grid point 362 (184/251) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -15.525 -5.367 3.478) 16.791 2.045 ( -15.399 -10.053 3.276) 18.680 2.611 ( 4.537 1.119 -3.514) 5.846 2.829 ( 1.730 3.845 -1.962) 4.651 3.025 ( 9.523 -9.424 -3.863) 13.943 3.659 ( 9.815 -2.899 -3.652) 10.866 3.742 ( -9.866 -8.312 5.115) 13.878 3.971 ( -3.033 0.499 -7.033) 7.675 4.564 ( 5.580 0.369 4.701) 7.306 4.632 ( -9.100 -9.548 -3.076) 13.544 5.281 ( -5.435 2.731 -0.930) 6.153 5.356 ( 2.977 -2.109 -5.272) 6.411 5.609 ( 3.700 -2.315 3.036) 5.317 5.829 ( 5.959 -6.708 2.182) 9.235 6.080 ( -1.947 -3.151 1.513) 4.001 6.127 ( 3.058 -2.555 -1.246) 4.175 6.830 ( 1.542 0.012 4.120) 4.399 7.090 ( 10.574 -4.290 -0.533) 11.424 7.504 ( -7.606 7.643 6.923) 12.814 7.799 ( -3.563 6.489 -1.983) 7.663 7.969 ( -0.029 1.082 1.661) 1.983 8.206 ( -1.037 3.470 -4.985) 6.162 8.336 ( 1.863 2.362 5.652) 6.403 8.514 ( -2.520 -2.785 -6.485) 7.494 10.318 ( -8.454 1.781 2.011) 8.870 10.629 ( -2.784 -5.570 0.245) 6.232 10.714 ( -0.868 -3.094 -1.764) 3.666 10.788 ( 5.549 -4.067 -1.712) 7.090 11.523 ( 8.001 -1.126 7.443) 10.986 11.686 ( -2.365 -6.059 -5.595) 8.579 12.033 ( -3.419 5.288 3.108) 7.022 12.214 ( 1.906 2.644 0.724) 3.339 12.541 ( 0.451 -2.599 2.605) 3.707 12.702 ( 2.751 -6.363 -4.838) 8.454 13.689 ( -5.287 10.840 7.797) 14.362 14.138 ( -1.346 5.229 -6.131) 8.170 15.933 ( -0.333 5.151 0.379) 5.176 16.231 ( 9.492 4.772 -0.615) 10.641 26.596 ( -0.023 -0.328 0.773) 0.840 26.624 ( 0.348 -0.671 -0.141) 0.769 26.812 ( -0.470 2.033 0.309) 2.109 26.849 ( 0.290 1.993 -0.674) 2.124 ======================= Grid point 363 (185/251) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -12.354 -10.169 -1.382) 16.061 2.159 ( -11.928 -13.148 5.607) 18.617 2.569 ( 7.031 4.105 -12.968) 15.312 2.861 ( 7.369 -0.360 6.658) 9.938 3.232 ( 6.921 -7.419 -5.757) 11.666 3.604 ( 0.672 4.901 -9.290) 10.525 3.879 ( 7.432 -1.611 -3.044) 8.191 4.023 ( -0.922 -7.881 -2.424) 8.297 4.558 ( -2.739 -1.124 -1.587) 3.359 4.768 ( -8.391 -10.822 5.102) 14.613 5.191 ( -6.707 1.684 1.533) 7.083 5.388 ( 1.449 -0.467 -3.797) 4.091 5.659 ( 1.446 -0.274 1.499) 2.101 5.961 ( 0.068 -3.726 5.336) 6.509 6.117 ( 0.148 -3.388 -0.050) 3.392 6.257 ( 8.327 -4.440 -0.275) 9.441 6.864 ( 0.255 -1.135 5.543) 5.664 7.248 ( 9.610 -4.585 -3.796) 11.304 7.333 ( -8.018 6.635 8.706) 13.569 7.662 ( -3.579 4.726 -1.050) 6.020 7.902 ( -1.560 4.801 -3.777) 6.305 8.116 ( 0.737 4.715 -5.437) 7.234 8.336 ( -0.473 0.843 8.094) 8.151 8.538 ( -1.133 -3.774 -4.289) 5.824 10.258 ( -5.505 -0.201 3.474) 6.513 10.707 ( -0.522 -4.298 -1.185) 4.489 10.741 ( -4.378 -3.155 -1.034) 5.494 10.939 ( 6.197 -6.843 -0.311) 9.237 11.617 ( 5.711 -0.731 6.486) 8.673 11.754 ( -0.895 -4.075 -3.620) 5.524 11.952 ( -4.249 0.905 3.311) 5.462 12.192 ( 2.286 1.612 0.873) 2.930 12.586 ( -0.528 -1.114 3.533) 3.742 12.814 ( 3.004 -3.647 -3.398) 5.820 13.485 ( -1.917 9.694 5.251) 11.191 13.981 ( -1.834 7.573 -9.689) 12.434 15.834 ( 0.846 6.517 1.843) 6.825 16.194 ( 4.158 4.285 -1.941) 6.278 26.609 ( -0.276 -1.016 0.563) 1.194 26.636 ( -0.087 -0.671 -0.603) 0.906 26.771 ( -0.207 2.340 0.600) 2.424 26.809 ( 0.431 2.444 -0.478) 2.527 ======================= Grid point 364 (186/251) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -7.421 -13.696 -7.678) 17.367 2.350 ( -6.635 -13.219 6.033) 15.974 2.511 ( 11.646 5.758 -11.344) 17.247 2.951 ( 7.545 0.220 6.743) 10.121 3.345 ( 0.972 -4.154 -6.948) 8.153 3.494 ( 0.090 3.105 -9.641) 10.129 3.952 ( 9.795 -1.808 -8.843) 13.319 4.058 ( 6.430 5.730 -7.009) 11.104 4.614 ( -9.159 -10.371 1.041) 13.875 4.905 ( -2.631 -6.922 7.174) 10.310 5.112 ( -8.003 2.545 2.416) 8.738 5.363 ( -1.602 1.040 -3.397) 3.897 5.658 ( 1.475 1.828 0.739) 2.462 6.024 ( -3.129 -3.156 6.093) 7.542 6.194 ( 0.095 -3.719 2.467) 4.464 6.366 ( 9.935 0.629 -0.908) 9.997 6.907 ( -0.999 -1.095 7.443) 7.589 7.172 ( -9.604 4.282 4.960) 11.626 7.414 ( 10.747 -4.053 -0.964) 11.526 7.574 ( -2.502 1.950 -0.390) 3.196 7.776 ( -1.934 5.051 -6.350) 8.342 8.014 ( -0.054 4.523 -5.714) 7.288 8.350 ( -1.695 -0.019 8.481) 8.649 8.597 ( 0.302 -4.267 -2.648) 5.031 10.253 ( -2.246 -0.903 3.977) 4.655 10.742 ( -3.445 -1.711 0.571) 3.889 10.776 ( 0.173 -3.034 -1.866) 3.566 11.081 ( 4.389 -3.472 -1.385) 5.765 11.695 ( 3.343 -2.238 4.897) 6.337 11.765 ( -1.970 0.908 0.043) 2.170 11.989 ( -2.605 -6.609 2.311) 7.471 12.209 ( 1.835 -1.642 0.883) 2.616 12.591 ( -2.875 0.615 5.062) 5.854 12.791 ( -2.252 7.350 5.310) 9.343 13.412 ( 4.656 -0.196 -3.404) 5.771 13.793 ( -0.004 6.920 -13.781) 15.421 15.733 ( 0.340 6.045 3.938) 7.222 16.148 ( 1.248 2.016 -3.063) 3.873 26.631 ( -0.278 -1.465 0.285) 1.518 26.642 ( -0.209 -0.238 -0.635) 0.710 26.732 ( -0.260 1.852 0.611) 1.968 26.771 ( 0.551 1.829 -0.234) 1.925 ======================= Grid point 371 (187/251) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -17.559 -0.000 5.512) 18.404 1.819 ( -18.269 -0.000 7.640) 19.802 2.675 ( 9.366 0.000 5.215) 10.720 2.775 ( 11.815 0.000 -2.673) 12.114 3.061 ( -1.690 -0.000 -6.435) 6.653 3.214 ( -22.057 -0.000 15.391) 26.896 3.677 ( 5.069 0.000 -5.522) 7.496 4.149 ( -5.630 -0.000 -5.713) 8.021 4.255 ( -9.757 -0.000 -1.956) 9.951 4.691 ( 12.395 0.000 2.463) 12.637 5.303 ( 3.217 0.000 -9.968) 10.474 5.389 ( 2.851 0.000 0.803) 2.962 5.554 ( -5.943 -0.000 -4.441) 7.419 5.601 ( 15.537 0.000 4.807) 16.264 6.012 ( 0.731 0.000 4.886) 4.940 6.102 ( -3.416 -0.000 -4.742) 5.844 6.861 ( 2.599 0.000 0.057) 2.599 6.986 ( 11.254 0.000 1.576) 11.364 7.738 ( -6.543 -0.000 8.397) 10.645 7.900 ( 2.287 0.000 4.321) 4.889 7.965 ( -4.312 -0.000 -0.149) 4.315 8.246 ( -4.867 -0.000 -5.746) 7.530 8.424 ( -4.761 -0.000 -6.624) 8.157 8.448 ( 6.609 0.000 3.132) 7.314 10.354 ( -9.621 -0.000 0.484) 9.633 10.550 ( -2.822 -0.000 -0.385) 2.848 10.659 ( 3.152 0.000 -2.337) 3.924 10.697 ( 1.010 0.000 -2.504) 2.700 11.502 ( 11.409 0.000 7.479) 13.642 11.529 ( -4.794 -0.000 -6.279) 7.900 12.236 ( -3.982 -0.000 -0.061) 3.983 12.258 ( 1.053 0.000 3.261) 3.427 12.408 ( 1.855 0.000 3.676) 4.117 12.581 ( 0.977 0.000 -4.814) 4.912 13.904 ( -6.144 -0.000 8.051) 10.127 14.231 ( -2.258 -0.000 -2.349) 3.258 16.019 ( -2.226 -0.000 -1.867) 2.905 16.364 ( 17.814 0.000 0.172) 17.815 26.602 ( 0.432 0.000 0.481) 0.646 26.604 ( 0.324 0.000 0.434) 0.541 26.851 ( -0.749 -0.000 0.061) 0.752 26.887 ( 0.451 0.000 -0.611) 0.759 ======================= Grid point 372 (188/251) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -16.984 -1.526 9.372) 19.458 1.775 ( -17.579 -6.898 9.086) 20.956 2.697 ( 5.725 4.485 -1.770) 7.485 2.887 ( -1.707 1.784 3.555) 4.329 2.970 ( 11.900 -4.865 -2.230) 13.048 3.338 ( -17.519 -18.241 11.554) 27.806 3.723 ( 9.413 -0.137 -8.294) 12.546 3.981 ( -6.181 5.728 -6.110) 10.409 4.331 ( -8.208 -11.366 1.373) 14.087 4.728 ( 7.665 4.975 -0.992) 9.191 5.303 ( -1.217 0.538 -6.440) 6.576 5.333 ( 2.620 2.892 -2.664) 4.725 5.587 ( 0.418 -4.299 1.288) 4.508 5.784 ( 11.672 -5.436 2.588) 13.133 6.039 ( -0.929 -0.960 1.512) 2.018 6.081 ( 0.069 -2.610 -4.029) 4.801 6.868 ( 2.655 1.022 0.279) 2.859 7.103 ( 10.510 -2.677 -0.969) 10.889 7.621 ( -7.899 7.813 9.891) 14.875 7.877 ( -4.123 5.827 -0.503) 7.156 7.977 ( 2.736 -2.070 3.245) 4.722 8.177 ( -4.975 0.963 -6.029) 7.876 8.392 ( -4.412 -3.268 -4.970) 7.406 8.475 ( 4.934 3.252 2.442) 6.394 10.275 ( -8.968 0.768 0.228) 9.004 10.525 ( -4.804 -2.378 0.374) 5.374 10.670 ( -0.729 -0.418 -1.982) 2.153 10.749 ( 3.883 -4.253 -1.550) 5.964 11.526 ( -2.503 -4.738 -5.733) 7.847 11.629 ( 11.804 -0.628 7.006) 13.741 12.129 ( -2.847 6.379 2.695) 7.487 12.275 ( 1.768 1.574 1.834) 2.995 12.487 ( 0.610 -4.528 2.899) 5.411 12.604 ( 1.741 -3.931 -6.094) 7.458 13.831 ( -5.093 6.160 8.434) 11.619 14.174 ( -3.936 2.768 -2.538) 5.441 15.989 ( 0.686 1.777 -2.616) 3.236 16.437 ( 14.333 6.532 -1.015) 15.784 26.597 ( -0.114 0.305 0.381) 0.501 26.615 ( 0.125 -0.530 -0.283) 0.614 26.837 ( -0.439 1.055 0.347) 1.194 26.879 ( 0.612 1.146 -0.371) 1.351 ======================= Grid point 373 (189/251) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -14.411 -5.058 8.501) 17.479 1.848 ( -14.668 -11.990 11.753) 22.294 2.649 ( 6.356 2.328 -8.450) 10.827 2.923 ( 5.863 -0.972 7.762) 9.776 3.177 ( 11.494 -6.130 -3.641) 13.526 3.576 ( -12.960 -14.652 5.060) 20.205 3.734 ( 0.323 -1.145 -3.830) 4.011 3.880 ( 0.752 -1.771 -12.446) 12.593 4.503 ( -6.439 -12.222 6.017) 15.068 4.644 ( 3.048 7.100 -4.673) 9.029 5.211 ( -3.592 3.379 0.998) 5.032 5.371 ( 4.896 -1.794 -5.658) 7.694 5.650 ( -0.986 -1.897 1.640) 2.694 5.923 ( 1.745 -2.399 2.804) 4.082 6.066 ( 0.836 -2.690 0.479) 2.857 6.202 ( 7.826 -8.001 -3.281) 11.663 6.877 ( 1.395 0.269 2.580) 2.945 7.225 ( 7.027 -3.258 -3.769) 8.614 7.447 ( -6.417 8.017 10.925) 14.994 7.719 ( -6.025 6.130 -0.142) 8.596 7.972 ( 0.193 4.586 -1.989) 5.003 8.115 ( -2.988 0.034 -5.766) 6.495 8.429 ( -2.378 -4.977 -5.735) 7.957 8.442 ( 3.673 4.851 6.826) 9.145 10.212 ( -6.142 -0.692 1.765) 6.428 10.576 ( -4.274 -6.478 0.735) 7.796 10.664 ( -3.241 -1.594 -1.529) 3.922 10.875 ( 5.377 -5.953 -0.831) 8.065 11.599 ( -0.868 -6.473 -4.475) 7.917 11.733 ( 9.289 1.169 5.486) 10.851 12.008 ( -2.728 5.770 4.324) 7.710 12.254 ( 2.280 2.613 0.868) 3.575 12.564 ( 0.048 -2.464 2.997) 3.880 12.714 ( 4.013 -7.642 -7.278) 11.290 13.673 ( -3.525 10.231 8.237) 13.600 14.051 ( -4.598 5.729 -4.602) 8.668 15.946 ( 3.240 3.905 -2.372) 5.601 16.356 ( 5.837 9.954 -0.973) 11.580 26.595 ( -0.614 -0.282 0.266) 0.726 26.622 ( -0.205 -0.523 -0.775) 0.957 26.810 ( -0.188 1.879 0.573) 1.974 26.854 ( 0.746 2.101 -0.141) 2.234 ======================= Grid point 374 (190/251) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -9.732 -10.115 2.128) 14.197 2.052 ( -8.443 -15.679 11.981) 21.463 2.654 ( 12.015 2.747 -8.281) 14.848 3.026 ( 7.402 -1.414 6.459) 9.925 3.306 ( 6.701 -1.687 -6.212) 9.292 3.524 ( -2.068 5.265 -10.370) 11.813 3.925 ( 2.033 -7.138 -6.604) 9.935 3.943 ( -6.517 -15.697 -0.692) 17.010 4.486 ( 0.709 5.841 -8.692) 10.496 4.727 ( -5.227 -11.914 11.278) 17.218 5.136 ( -3.497 3.181 2.094) 5.170 5.396 ( 5.202 1.938 -4.409) 7.089 5.659 ( -3.479 -1.433 -0.437) 3.788 5.967 ( -1.612 -2.272 3.392) 4.389 6.140 ( 0.893 -3.765 2.454) 4.582 6.398 ( 9.893 -5.533 -2.630) 11.636 6.899 ( -0.929 -0.845 5.646) 5.784 7.209 ( -6.548 4.960 3.120) 8.787 7.416 ( 5.461 -2.617 2.063) 6.398 7.590 ( -5.267 3.020 0.691) 6.111 7.847 ( -0.389 6.454 -6.135) 8.913 8.054 ( -1.855 2.760 -6.282) 7.107 8.404 ( 1.111 3.039 6.497) 7.258 8.503 ( -0.320 -4.861 -1.705) 5.161 10.218 ( -2.386 -2.387 3.126) 4.600 10.651 ( -5.086 -4.243 -2.219) 6.985 10.690 ( -1.659 -4.890 1.453) 5.364 11.029 ( 4.898 -6.313 -1.030) 8.056 11.700 ( 1.074 -5.108 -1.648) 5.474 11.776 ( 5.485 1.731 3.458) 6.712 11.921 ( -3.208 2.189 5.289) 6.561 12.234 ( 2.166 1.656 0.925) 2.880 12.596 ( -1.322 -0.263 3.536) 3.784 12.836 ( 2.870 -2.980 -3.975) 5.738 13.503 ( 0.244 8.010 3.934) 8.927 13.874 ( -3.276 7.509 -8.342) 11.692 15.874 ( 3.234 6.734 0.090) 7.471 16.215 ( -0.349 6.439 -1.530) 6.627 26.603 ( -0.784 -1.169 0.142) 1.415 26.627 ( -0.307 -0.659 -0.857) 1.124 26.772 ( -0.104 2.318 0.667) 2.414 26.817 ( 0.757 2.547 -0.018) 2.657 ======================= Grid point 382 (191/251) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -15.242 -0.000 15.465) 21.714 1.614 ( -15.838 -0.000 12.629) 20.257 2.741 ( -25.224 -0.000 7.843) 26.415 2.875 ( 11.507 0.000 3.166) 11.934 3.040 ( 3.935 0.000 -3.164) 5.049 3.098 ( 7.020 0.000 9.081) 11.478 3.752 ( 6.532 0.000 -9.604) 11.615 3.995 ( -9.461 -0.000 -4.809) 10.613 4.147 ( -2.954 -0.000 2.166) 3.663 4.815 ( 3.242 0.000 -2.444) 4.060 5.263 ( -0.367 -0.000 -11.880) 11.885 5.427 ( -0.701 -0.000 4.065) 4.125 5.514 ( 4.575 0.000 0.134) 4.577 5.843 ( 11.326 0.000 2.367) 11.571 6.022 ( -0.443 -0.000 -7.871) 7.883 6.038 ( -0.631 -0.000 2.064) 2.159 6.895 ( 2.765 0.000 -2.488) 3.720 7.158 ( 9.868 0.000 -1.683) 10.010 7.660 ( -11.477 -0.000 11.519) 16.261 7.932 ( 0.486 0.000 -1.863) 1.925 7.996 ( 6.466 0.000 4.141) 7.678 8.137 ( -3.551 -0.000 -5.281) 6.364 8.264 ( -10.014 -0.000 -6.703) 12.050 8.559 ( 4.340 0.000 3.591) 5.633 10.214 ( -8.203 -0.000 0.227) 8.207 10.460 ( -5.508 -0.000 -2.966) 6.256 10.656 ( -4.706 -0.000 -0.603) 4.744 10.715 ( 3.507 0.000 -0.138) 3.510 11.445 ( -0.523 -0.000 -5.230) 5.256 11.751 ( 12.991 0.000 6.748) 14.639 12.196 ( -1.248 -0.000 1.693) 2.103 12.297 ( 0.314 0.000 3.972) 3.984 12.458 ( 1.666 0.000 3.102) 3.521 12.553 ( 0.786 0.000 -7.459) 7.500 13.880 ( -3.845 -0.000 8.559) 9.383 14.156 ( -5.697 -0.000 -0.484) 5.717 16.006 ( 2.932 0.000 -3.670) 4.698 16.619 ( 14.943 0.000 -4.269) 15.541 26.603 ( -0.465 -0.000 -0.587) 0.749 26.606 ( -0.117 -0.000 -0.226) 0.254 26.845 ( -0.215 -0.000 0.579) 0.618 26.895 ( 0.847 0.000 -0.052) 0.849 ======================= Grid point 383 (192/251) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -11.791 -0.248 18.518) 21.954 1.609 ( -13.844 -6.927 16.805) 22.849 2.619 ( -14.420 -5.299 5.721) 16.393 2.999 ( 6.586 -0.011 10.988) 12.811 3.086 ( 4.590 -6.593 -4.674) 9.294 3.295 ( 7.746 -7.727 4.049) 11.667 3.771 ( 5.057 -1.322 -14.300) 15.225 3.822 ( -8.348 5.135 -6.631) 11.834 4.268 ( -3.045 -10.729 6.933) 13.132 4.768 ( 1.324 5.271 -5.830) 7.970 5.211 ( -3.269 0.380 -8.142) 8.782 5.394 ( 2.592 1.241 2.001) 3.502 5.604 ( 0.828 -2.120 1.298) 2.620 5.927 ( 3.450 -0.551 1.634) 3.857 6.032 ( 1.090 -1.839 -1.157) 2.430 6.096 ( 6.019 -7.279 -5.219) 10.792 6.903 ( 2.389 0.422 -1.344) 2.773 7.229 ( 6.744 -0.964 -3.126) 7.496 7.558 ( -9.254 5.308 11.614) 15.771 7.802 ( -6.053 9.478 -0.604) 11.262 8.045 ( 2.685 2.171 -0.820) 3.549 8.079 ( -1.613 0.735 -6.756) 6.985 8.276 ( -2.803 -7.719 -3.029) 8.753 8.567 ( 2.781 3.443 4.221) 6.116 10.155 ( -6.388 -0.401 0.782) 6.449 10.443 ( -4.746 -4.045 -1.385) 6.388 10.613 ( -4.993 -0.529 -0.241) 5.027 10.795 ( 2.128 -5.509 -0.495) 5.926 11.476 ( 1.192 -4.420 -4.065) 6.122 11.860 ( 10.713 1.145 5.058) 11.903 12.122 ( -0.484 6.572 4.275) 7.855 12.315 ( 1.511 1.288 1.950) 2.783 12.521 ( 1.271 -3.706 2.678) 4.746 12.583 ( 1.996 -5.721 -8.642) 10.554 13.830 ( -2.160 6.132 8.586) 10.770 14.079 ( -6.281 3.103 -0.521) 7.025 16.013 ( 5.157 1.371 -4.040) 6.693 16.598 ( 7.262 10.422 -4.953) 13.634 26.589 ( -0.958 0.284 -0.472) 1.105 26.608 ( -0.421 -0.444 -0.894) 1.083 26.838 ( 0.016 1.041 0.782) 1.302 26.891 ( 0.930 1.218 0.137) 1.539 ======================= Grid point 384 (193/251) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -9.673 -2.863 15.647) 18.617 1.769 ( -8.345 -13.621 18.458) 24.410 2.708 ( 4.985 -5.120 -1.116) 7.232 3.077 ( 7.043 -0.613 5.878) 9.194 3.270 ( 1.196 -8.536 -0.635) 8.643 3.481 ( -2.271 -11.034 2.799) 11.608 3.623 ( -5.642 5.793 -8.770) 11.929 3.845 ( 6.420 -6.033 -14.986) 17.384 4.492 ( -4.070 -13.450 10.901) 17.785 4.625 ( 2.154 8.660 -9.008) 12.680 5.152 ( -3.621 1.306 -2.544) 4.615 5.444 ( 3.823 -2.759 0.089) 4.715 5.591 ( -3.435 1.244 -2.159) 4.244 5.948 ( -0.033 -0.225 0.819) 0.850 6.086 ( 0.350 -3.686 1.909) 4.166 6.313 ( 8.418 -9.963 -4.306) 13.736 6.910 ( 0.630 0.484 2.508) 2.631 7.249 ( -0.964 2.110 0.238) 2.332 7.446 ( -3.030 3.456 5.884) 7.466 7.601 ( -9.114 4.311 1.110) 10.143 7.951 ( 1.428 6.447 -5.790) 8.782 8.052 ( -1.009 0.692 -5.653) 5.784 8.389 ( 2.468 -5.226 -3.101) 6.559 8.524 ( 0.645 4.316 6.246) 7.619 10.156 ( -2.670 -3.073 2.284) 4.668 10.507 ( -3.886 -6.381 -1.774) 7.679 10.606 ( -3.795 -2.823 1.225) 4.885 10.926 ( 1.560 -7.410 -1.227) 7.672 11.579 ( 2.049 -6.623 -2.103) 7.244 11.901 ( 6.984 3.502 3.251) 8.462 12.013 ( -0.904 6.724 6.023) 9.072 12.294 ( 2.230 2.539 0.497) 3.415 12.580 ( -0.781 -1.675 2.363) 2.999 12.729 ( 4.914 -8.955 -8.861) 13.522 13.696 ( -0.095 10.242 7.385) 12.628 13.945 ( -5.020 5.998 -2.838) 8.321 16.002 ( 6.077 3.814 -3.439) 7.956 16.373 ( -3.134 12.888 -1.735) 13.376 26.580 ( -1.170 -0.473 -0.232) 1.283 26.610 ( -0.471 -0.583 -1.041) 1.283 26.814 ( 0.111 1.948 0.860) 2.132 26.868 ( 0.794 2.208 0.138) 2.350 ======================= Grid point 393 (194/251) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -5.130 -0.000 25.551) 26.061 1.511 ( -10.424 -0.000 19.187) 21.835 2.373 ( -29.370 -0.000 20.959) 36.082 3.055 ( 12.607 0.000 -5.252) 13.657 3.151 ( 8.278 0.000 4.512) 9.428 3.330 ( 13.854 0.000 3.083) 14.193 3.708 ( -0.066 -0.000 -15.172) 15.172 3.790 ( -12.037 -0.000 -4.295) 12.780 4.182 ( 2.615 0.000 4.119) 4.879 4.798 ( -0.703 -0.000 -5.191) 5.238 5.145 ( -2.480 -0.000 -13.877) 14.097 5.393 ( -8.156 -0.000 4.595) 9.361 5.646 ( 8.073 0.000 3.613) 8.844 5.948 ( 1.950 0.000 -0.478) 2.008 6.022 ( -2.132 -0.000 0.181) 2.140 6.044 ( 9.822 0.000 -7.735) 12.502 6.918 ( 2.527 0.000 -2.412) 3.493 7.263 ( 5.942 0.000 -3.684) 6.991 7.554 ( -11.056 -0.000 10.551) 15.283 7.935 ( 1.216 0.000 -2.251) 2.559 7.943 ( -17.223 -0.000 -9.360) 19.603 8.077 ( 0.596 0.000 -5.236) 5.270 8.224 ( 11.131 0.000 5.870) 12.584 8.626 ( 1.036 0.000 3.293) 3.453 10.105 ( -5.874 -0.000 1.037) 5.965 10.358 ( -4.131 -0.000 -3.791) 5.607 10.556 ( -8.228 -0.000 2.653) 8.645 10.751 ( 1.354 0.000 -0.760) 1.553 11.449 ( 4.152 0.000 -2.036) 4.625 11.960 ( 7.746 0.000 3.431) 8.472 12.244 ( 5.695 0.000 3.558) 6.715 12.311 ( -2.096 -0.000 4.027) 4.539 12.505 ( 0.622 0.000 -9.948) 9.968 12.506 ( 2.204 0.000 2.117) 3.056 13.907 ( 0.357 0.000 7.967) 7.975 14.058 ( -6.742 -0.000 1.681) 6.948 16.057 ( 6.782 0.000 -4.211) 7.983 16.725 ( 3.075 0.000 -9.907) 10.374 26.581 ( -1.426 -0.000 -1.214) 1.873 26.596 ( -0.568 -0.000 -0.811) 0.990 26.851 ( 0.255 0.000 1.013) 1.045 26.911 ( 0.924 0.000 0.239) 0.954 ======================= Grid point 394 (195/251) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.566 4.758 25.047) 25.900 1.583 ( -6.938 -7.844 23.396) 25.632 2.450 ( -14.372 -18.947 19.253) 30.598 3.163 ( 10.586 -3.382 -5.583) 12.437 3.180 ( 6.793 3.606 6.417) 10.016 3.432 ( 3.585 1.275 -5.246) 6.481 3.659 ( -5.451 2.760 -4.745) 7.736 3.722 ( 4.360 -6.755 -12.371) 14.754 4.293 ( -0.817 -8.452 5.271) 9.995 4.731 ( 0.580 4.641 -7.294) 8.665 5.099 ( -2.553 -1.799 -10.507) 10.962 5.346 ( -10.336 -2.420 2.101) 10.822 5.675 ( 6.732 3.899 1.327) 7.892 5.955 ( -0.099 0.907 -0.244) 0.945 6.028 ( -1.017 -3.002 1.083) 3.350 6.184 ( 8.194 -8.545 -5.920) 13.237 6.931 ( 1.637 0.158 0.111) 1.649 7.282 ( 2.946 1.136 -1.992) 3.734 7.490 ( -7.370 2.198 7.168) 10.513 7.623 ( -16.310 8.958 -1.197) 18.647 7.999 ( -2.409 -3.171 -5.994) 7.196 8.042 ( 2.947 3.487 -5.597) 7.223 8.362 ( 11.224 -2.192 1.193) 11.498 8.609 ( -0.922 2.981 3.501) 4.690 10.091 ( -2.937 -2.306 2.136) 4.302 10.367 ( -2.688 -5.052 -3.170) 6.542 10.525 ( -6.935 -2.380 3.063) 7.946 10.804 ( 0.152 -5.225 -1.630) 5.475 11.514 ( 5.161 -3.225 -0.105) 6.087 12.003 ( 4.300 1.662 2.544) 5.265 12.170 ( 1.161 7.985 4.879) 9.429 12.352 ( 2.141 1.246 0.745) 2.587 12.539 ( -0.183 -3.399 -4.071) 5.306 12.573 ( 4.261 -7.327 -4.310) 9.509 13.887 ( 2.729 6.486 6.900) 9.855 13.985 ( -5.370 3.224 1.301) 6.397 16.089 ( 7.593 1.492 -3.974) 8.699 16.559 ( -7.619 11.910 -6.863) 15.716 26.564 ( -1.481 -0.044 -0.718) 1.646 26.592 ( -0.656 -0.438 -1.086) 1.342 26.847 ( 0.358 1.143 1.087) 1.618 26.906 ( 0.655 1.301 0.161) 1.465 ======================= Grid point 404 (196/251) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.857 0.000 26.510) 26.524 1.553 ( -3.388 -0.000 24.601) 24.834 2.192 ( -13.536 -0.000 30.772) 33.618 3.198 ( 10.369 0.000 -13.138) 16.737 3.307 ( 5.409 0.000 8.162) 9.792 3.467 ( 0.408 0.000 -10.653) 10.661 3.598 ( -6.660 -0.000 -2.046) 6.967 3.647 ( 6.265 0.000 -3.105) 6.992 4.233 ( 1.898 0.000 -0.870) 2.088 4.748 ( 0.120 0.000 -7.627) 7.628 5.013 ( -1.707 -0.000 -13.479) 13.587 5.244 ( -12.150 -0.000 1.821) 12.286 5.774 ( 3.600 0.000 4.948) 6.119 5.975 ( 1.225 0.000 -0.214) 1.243 5.979 ( -3.239 -0.000 0.364) 3.260 6.140 ( 8.519 0.000 -7.316) 11.230 6.944 ( 1.080 0.000 1.170) 1.592 7.313 ( 3.875 0.000 -3.044) 4.928 7.472 ( -5.709 -0.000 5.824) 8.156 7.545 ( -25.193 -0.000 -3.530) 25.439 7.934 ( 0.751 0.000 -2.410) 2.525 8.086 ( 5.300 0.000 -5.884) 7.919 8.465 ( 14.751 0.000 -0.083) 14.751 8.631 ( -2.967 -0.000 2.280) 3.742 10.056 ( -1.615 -0.000 2.551) 3.019 10.285 ( -1.638 -0.000 -3.930) 4.258 10.452 ( -8.024 -0.000 5.695) 9.839 10.755 ( 0.697 0.000 -2.080) 2.194 11.537 ( 6.759 0.000 1.530) 6.930 12.051 ( 2.607 0.000 2.175) 3.395 12.286 ( -4.056 -0.000 3.222) 5.180 12.378 ( 4.494 0.000 1.365) 4.696 12.449 ( 4.012 0.000 -10.808) 11.529 12.547 ( 1.120 0.000 1.196) 1.639 13.981 ( -4.694 -0.000 3.272) 5.722 14.003 ( 6.230 0.000 4.668) 7.785 16.152 ( 8.055 0.000 -3.264) 8.691 16.555 ( -15.951 -0.000 -8.834) 18.234 26.549 ( -1.476 -0.000 -0.711) 1.639 26.579 ( -0.748 -0.000 -1.044) 1.284 26.865 ( 0.495 0.000 1.181) 1.281 26.922 ( 0.325 0.000 0.054) 0.330 ======================= Grid point 405 (197/251) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 1.478 0.000 24.063) 24.108 2.246 ( 4.153 0.000 23.900) 24.258 2.643 ( -4.855 -0.000 -9.818) 10.953 2.688 ( -1.606 -0.000 -22.798) 22.855 3.213 ( -2.392 -0.000 13.576) 13.785 3.515 ( 11.799 0.000 -10.225) 15.613 3.675 ( -10.768 -0.000 12.226) 16.292 3.802 ( 6.881 0.000 0.857) 6.934 4.119 ( -0.966 -0.000 -4.496) 4.598 4.248 ( 1.186 0.000 -17.571) 17.611 5.000 ( 7.215 0.000 3.272) 7.922 5.053 ( -9.247 -0.000 -1.766) 9.414 5.914 ( -4.686 -0.000 6.134) 7.719 5.958 ( -4.562 -0.000 0.082) 4.563 5.972 ( -0.824 -0.000 0.884) 1.208 6.072 ( 8.975 0.000 -7.226) 11.522 7.078 ( 4.159 0.000 4.839) 6.381 7.141 ( -14.006 -0.000 -1.521) 14.088 7.401 ( 3.140 0.000 2.512) 4.021 7.452 ( -0.332 -0.000 -2.078) 2.104 7.921 ( -1.733 -0.000 2.159) 2.768 8.016 ( 6.233 0.000 -6.583) 9.066 8.578 ( -7.490 -0.000 0.431) 7.503 8.595 ( 8.425 0.000 -1.545) 8.566 10.127 ( 0.763 0.000 2.297) 2.421 10.181 ( 0.336 0.000 -3.094) 3.113 10.545 ( -3.394 -0.000 7.055) 7.829 10.671 ( 2.171 0.000 -5.193) 5.629 11.792 ( 6.361 0.000 8.249) 10.417 11.981 ( -5.171 -0.000 -9.165) 10.524 12.255 ( 4.183 0.000 -0.294) 4.193 12.259 ( -4.642 -0.000 0.190) 4.646 12.522 ( 3.716 0.000 0.665) 3.775 12.540 ( -2.510 -0.000 -0.859) 2.653 14.039 ( -2.362 -0.000 3.911) 4.569 14.111 ( 5.203 0.000 -2.908) 5.960 16.189 ( -16.984 -0.000 1.572) 17.056 16.224 ( 10.569 0.000 -1.715) 10.707 26.534 ( -0.025 -0.000 0.328) 0.329 26.544 ( -0.374 -0.000 -0.663) 0.762 26.902 ( 0.415 0.000 0.858) 0.953 26.916 ( -0.347 -0.000 -0.489) 0.600 ======================= Grid point 406 (198/251) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 0.732 4.868 27.270) 27.710 2.347 ( 4.951 -3.009 20.347) 21.156 2.507 ( -6.234 2.423 -16.264) 17.586 2.671 ( 0.637 -4.630 -22.952) 23.423 3.264 ( -4.653 -1.206 6.112) 7.776 3.500 ( 5.977 4.223 -10.784) 13.033 3.646 ( -4.531 -3.178 12.199) 13.396 3.880 ( 4.743 -1.761 -5.148) 7.218 4.194 ( -2.128 -10.064 -1.631) 10.415 4.330 ( 7.143 -9.975 -7.364) 14.309 4.968 ( -8.023 1.389 -0.426) 8.154 5.099 ( 11.164 -1.386 2.860) 11.607 5.820 ( -9.302 2.477 1.669) 9.770 5.935 ( 3.944 2.684 0.794) 4.836 6.006 ( -7.087 -6.101 3.868) 10.120 6.178 ( 4.594 -5.585 -5.732) 9.228 7.011 ( -12.789 1.237 3.484) 13.313 7.132 ( -2.199 -2.388 4.780) 5.778 7.432 ( 6.098 1.847 0.770) 6.418 7.472 ( 6.657 -0.085 -1.591) 6.845 7.890 ( -1.190 2.845 0.977) 3.235 8.011 ( 6.648 3.500 -7.165) 10.382 8.510 ( -7.841 0.575 0.437) 7.874 8.642 ( 6.810 0.790 -1.474) 7.012 10.162 ( -0.260 -2.312 2.059) 3.107 10.228 ( 3.127 -4.893 -3.348) 6.703 10.581 ( -2.410 -3.518 6.689) 7.932 10.707 ( 3.049 -3.669 -4.781) 6.754 11.896 ( 4.942 -3.160 8.486) 10.317 11.928 ( -7.286 -2.982 -9.476) 12.320 12.181 ( -3.773 4.352 1.302) 5.905 12.263 ( 4.326 3.019 -1.387) 5.455 12.515 ( -3.874 -0.520 1.088) 4.057 12.579 ( 1.942 -3.293 -1.843) 4.244 13.993 ( -0.231 5.011 2.062) 5.424 14.077 ( 5.101 7.158 -3.810) 9.580 16.029 ( -16.654 3.477 5.322) 17.826 16.266 ( 8.359 3.334 -0.605) 9.020 26.541 ( 0.234 -0.496 0.523) 0.758 26.545 ( -0.093 -0.560 -0.465) 0.734 26.895 ( 0.225 1.322 0.763) 1.543 26.899 ( -0.394 1.230 -0.582) 1.417 ======================= Grid point 407 (199/251) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -1.712 3.487 18.466) 18.870 2.335 ( -4.447 4.024 -9.370) 11.125 2.545 ( 5.295 -3.942 11.613) 13.358 2.703 ( 4.530 -5.132 -16.380) 17.752 3.219 ( -4.193 0.031 -4.022) 5.811 3.434 ( 6.393 4.852 -7.486) 10.975 3.724 ( -7.318 -5.137 3.815) 9.721 3.919 ( 3.719 -1.447 -6.499) 7.627 4.409 ( -2.930 -13.996 0.216) 14.301 4.602 ( 8.799 -12.880 1.380) 15.660 4.889 ( -7.147 -0.067 1.674) 7.341 5.229 ( 13.100 -0.859 2.977) 13.461 5.723 ( -9.517 0.130 -0.986) 9.569 5.939 ( 4.347 0.101 -0.639) 4.394 6.095 ( -7.108 -7.371 7.419) 12.645 6.275 ( 0.632 -4.674 -4.457) 6.489 6.933 ( -8.822 -0.713 5.339) 10.337 7.168 ( -5.638 -3.301 4.630) 8.007 7.449 ( 10.821 3.562 -1.554) 11.497 7.519 ( 5.852 0.430 0.093) 5.869 7.808 ( -1.115 5.288 -0.535) 5.431 7.956 ( 4.450 4.669 -5.615) 8.551 8.453 ( -5.712 -0.368 0.517) 5.747 8.669 ( 5.312 0.815 -1.785) 5.662 10.212 ( -1.381 -3.223 1.812) 3.947 10.361 ( 6.217 -6.278 -2.922) 9.306 10.661 ( -3.003 -5.400 4.614) 7.712 10.817 ( 3.974 -6.474 -2.698) 8.061 11.894 ( -9.810 -3.526 -7.588) 12.894 12.012 ( 0.475 -1.247 4.549) 4.741 12.087 ( -1.349 1.458 5.210) 5.576 12.215 ( 3.304 4.187 -3.675) 6.477 12.503 ( -4.833 -1.181 4.429) 6.661 12.659 ( 2.279 -4.787 -4.005) 6.645 13.878 ( 2.962 8.906 -1.476) 9.501 13.909 ( 3.396 13.760 -2.818) 14.450 15.869 ( -12.817 3.240 7.878) 15.389 16.235 ( 5.624 5.584 -1.028) 7.992 26.557 ( 0.204 -0.955 0.282) 1.016 26.560 ( 0.356 -1.082 0.064) 1.141 26.863 ( -0.367 2.163 -0.711) 2.306 26.865 ( 0.004 2.312 0.667) 2.406 ======================= Grid point 408 (200/251) ======================= q-point: ( 0.30 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -3.932 5.117 -21.753) 22.690 2.326 ( 0.987 2.497 22.887) 23.044 2.610 ( 1.342 -0.442 -7.040) 7.181 2.838 ( 7.330 -4.925 6.216) 10.800 3.209 ( -2.163 -3.663 -10.122) 10.979 3.395 ( 6.771 1.962 -6.437) 9.546 3.731 ( -6.805 -1.412 -1.118) 7.039 3.936 ( 4.102 1.290 0.784) 4.370 4.580 ( -9.260 -12.129 -6.590) 16.622 4.852 ( 1.206 -3.220 5.908) 6.835 4.925 ( 4.394 -8.373 1.309) 9.546 5.358 ( 10.536 -1.667 5.072) 11.811 5.646 ( -8.823 -0.011 -3.243) 9.400 6.010 ( 5.382 -4.091 -1.363) 6.896 6.190 ( -5.609 -5.463 7.847) 11.085 6.323 ( -2.336 -2.611 -1.147) 3.687 6.937 ( -4.362 -3.219 5.505) 7.726 7.189 ( -6.680 -2.595 3.798) 8.111 7.459 ( 10.893 3.809 -3.038) 11.933 7.556 ( 5.442 0.313 0.810) 5.511 7.691 ( -1.051 5.951 -1.469) 6.219 7.892 ( 0.642 2.729 -2.962) 4.079 8.437 ( -2.831 -1.170 0.907) 3.195 8.681 ( 3.618 1.070 -2.592) 4.578 10.266 ( -1.092 -3.061 2.021) 3.827 10.514 ( 7.996 -5.396 -2.785) 10.040 10.751 ( -3.478 -5.768 2.810) 7.298 10.955 ( 2.841 -5.732 -0.616) 6.427 11.824 ( -10.049 0.524 -2.601) 10.394 11.954 ( -2.827 2.679 -1.241) 4.087 12.160 ( -0.038 -2.037 4.506) 4.945 12.168 ( 0.739 -0.035 -3.453) 3.531 12.528 ( -4.678 -3.923 8.859) 10.759 12.754 ( 2.481 -5.189 -4.749) 7.459 13.635 ( 1.204 16.915 -0.976) 16.986 13.728 ( 6.393 10.643 -5.492) 13.576 15.773 ( -7.809 1.476 7.893) 11.201 16.163 ( 3.332 5.457 -2.072) 6.721 26.581 ( 0.222 -1.323 0.351) 1.386 26.588 ( 0.563 -1.559 0.145) 1.664 26.813 ( -0.463 2.788 -0.511) 2.872 26.822 ( -0.064 2.554 0.261) 2.568 ======================= Grid point 409 (201/251) ======================= q-point: ( 0.40 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -1.790 7.406 -18.465) 19.975 2.382 ( 2.909 0.298 14.423) 14.717 2.588 ( -0.258 0.051 -6.244) 6.250 2.982 ( 7.415 -1.604 6.614) 10.065 3.216 ( -2.731 -3.028 -8.968) 9.851 3.414 ( 2.794 -0.677 -7.547) 8.076 3.664 ( -4.187 1.796 -2.539) 5.215 3.979 ( 6.613 -0.294 4.319) 7.904 4.685 ( -9.360 -9.848 -6.308) 14.980 4.877 ( 2.533 0.391 1.573) 3.007 5.113 ( 4.623 -5.025 4.085) 7.957 5.419 ( -5.279 1.597 0.243) 5.520 5.604 ( 2.332 -1.392 0.083) 2.717 6.138 ( 4.347 -4.933 -1.112) 6.668 6.247 ( -2.448 -2.489 4.700) 5.855 6.329 ( -3.041 -0.500 2.096) 3.727 6.998 ( -1.689 -3.638 4.695) 6.174 7.177 ( -6.030 -0.576 2.879) 6.707 7.477 ( 7.800 1.452 -2.065) 8.198 7.587 ( 0.531 4.215 -0.815) 4.325 7.594 ( 3.432 -0.024 -0.940) 3.558 7.853 ( -1.521 0.255 -1.595) 2.219 8.450 ( -1.307 -1.346 2.239) 2.921 8.666 ( 1.723 1.984 -3.015) 3.999 10.313 ( -0.522 -1.856 2.160) 2.895 10.658 ( 8.348 -4.294 -2.270) 9.658 10.813 ( -4.265 -2.989 1.663) 5.467 11.039 ( 0.304 -2.317 -0.262) 2.352 11.743 ( -5.874 -0.105 0.441) 5.891 11.875 ( -1.902 3.585 -1.348) 4.276 12.168 ( -1.096 -1.448 -3.476) 3.922 12.194 ( -0.786 -0.745 2.461) 2.689 12.634 ( -4.291 -7.673 9.333) 12.822 12.830 ( 0.554 -1.866 -0.640) 2.049 13.365 ( 0.242 11.296 -1.214) 11.363 13.574 ( 7.851 9.760 -8.717) 15.260 15.742 ( -3.600 -0.165 6.160) 7.136 16.092 ( 1.690 3.361 -2.740) 4.655 26.608 ( 0.142 -1.345 0.331) 1.392 26.625 ( 0.655 -1.864 0.134) 1.981 26.756 ( -0.642 2.708 -0.294) 2.799 26.780 ( 0.014 2.010 -0.028) 2.010 ======================= Grid point 410 (202/251) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -1.283 6.092 -7.929) 10.081 2.449 ( 3.538 -0.321 6.122) 7.078 2.573 ( 1.986 0.236 -3.345) 3.897 3.055 ( 5.259 -0.022 1.322) 5.423 3.222 ( -2.910 -2.583 -6.428) 7.515 3.363 ( -1.849 4.578 0.285) 4.945 3.648 ( 1.239 -3.132 -7.555) 8.272 4.047 ( 4.090 -0.751 0.754) 4.226 4.703 ( -2.630 1.573 -1.583) 3.450 4.917 ( -2.249 -2.730 -0.522) 3.575 5.185 ( -0.066 0.857 4.865) 4.941 5.321 ( -1.136 1.433 -1.231) 2.204 5.659 ( 1.114 -0.664 0.619) 1.437 6.173 ( -3.104 1.728 3.463) 4.962 6.288 ( -2.353 -0.187 1.599) 2.851 6.349 ( 6.790 -2.369 -2.115) 7.496 7.046 ( -0.835 -0.583 3.390) 3.540 7.153 ( -5.325 -1.323 3.059) 6.282 7.501 ( 5.333 1.209 -2.633) 6.069 7.549 ( 0.937 0.448 0.086) 1.042 7.603 ( -0.791 -0.269 -1.464) 1.685 7.848 ( -0.847 -1.321 -1.905) 2.468 8.474 ( -0.691 -0.866 3.101) 3.293 8.622 ( 0.143 2.416 -1.547) 2.873 10.334 ( -0.166 0.085 1.961) 1.969 10.745 ( -1.456 0.468 -0.306) 1.560 10.806 ( 1.203 0.225 0.319) 1.265 11.063 ( 1.059 -0.998 -1.684) 2.225 11.747 ( -1.660 -2.299 1.829) 3.374 11.800 ( 0.186 2.672 -0.673) 2.762 12.142 ( -1.003 2.853 2.166) 3.719 12.222 ( 1.243 -1.389 -1.922) 2.678 12.751 ( -2.381 -1.682 5.388) 6.126 12.806 ( -2.976 0.840 6.499) 7.197 13.295 ( -0.437 -4.381 -4.370) 6.203 13.461 ( 5.865 4.621 -8.999) 11.693 15.759 ( -0.300 -1.609 3.372) 3.748 16.057 ( 0.233 0.260 -2.548) 2.572 26.626 ( -0.018 -0.358 -0.089) 0.369 26.654 ( 0.149 -0.113 0.090) 0.208 26.717 ( -0.330 0.264 0.040) 0.425 26.759 ( 0.176 0.135 -0.011) 0.222 ======================= Grid point 411 (203/251) ======================= q-point: (-0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -1.398 1.713 6.737) 7.090 2.444 ( 0.232 5.002 6.160) 7.938 2.621 ( 7.299 -2.859 -4.567) 9.072 3.097 ( 2.237 -2.029 -5.816) 6.553 3.197 ( -3.055 0.213 -6.696) 7.363 3.276 ( -1.089 3.672 4.819) 6.156 3.704 ( 4.375 -2.687 -7.403) 9.009 4.058 ( -2.857 0.514 -2.806) 4.037 4.570 ( 3.399 12.464 4.629) 13.723 4.923 ( -6.469 -4.012 -2.444) 7.994 5.128 ( -3.025 6.152 3.298) 7.608 5.386 ( 8.947 -3.265 1.950) 9.722 5.625 ( -4.733 2.498 -1.516) 5.563 6.089 ( -5.010 4.646 3.174) 7.534 6.268 ( 0.706 1.829 1.727) 2.613 6.422 ( 7.534 0.509 -5.445) 9.310 7.028 ( -0.542 2.378 2.124) 3.234 7.170 ( -4.224 -3.167 3.112) 6.129 7.486 ( 1.975 2.972 -2.459) 4.334 7.562 ( -1.883 -0.897 1.467) 2.550 7.615 ( -1.305 -4.288 -2.968) 5.376 7.868 ( 0.227 -1.908 -2.950) 3.521 8.474 ( 0.440 1.587 0.279) 1.671 8.594 ( -1.270 0.177 3.494) 3.722 10.319 ( 0.129 2.183 1.634) 2.730 10.641 ( -7.440 4.247 -0.627) 8.590 10.807 ( 2.670 3.406 1.528) 4.590 11.074 ( 1.956 1.402 -3.094) 3.919 11.754 ( 2.986 0.938 -0.318) 3.145 11.831 ( 2.145 -3.013 2.494) 4.461 12.075 ( -0.400 4.571 4.847) 6.674 12.243 ( 2.213 -0.302 -1.247) 2.558 12.697 ( -3.034 2.667 5.952) 7.194 12.816 ( 1.305 2.810 -2.983) 4.301 13.422 ( -3.068 -10.409 1.425) 10.945 13.483 ( 1.561 -7.747 -7.408) 10.832 15.815 ( 2.864 -2.751 -0.291) 3.982 16.072 ( -1.818 -3.356 -1.364) 4.054 26.617 ( -0.284 1.105 -0.491) 1.242 26.628 ( -0.619 1.683 -0.208) 1.806 26.746 ( 0.270 -2.388 0.627) 2.484 26.780 ( 0.387 -2.064 -0.013) 2.101 ======================= Grid point 412 (204/251) ======================= q-point: (-0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -0.862 -2.498 19.226) 19.407 2.346 ( -1.464 8.442 13.373) 15.883 2.721 ( 6.667 -3.607 -8.671) 11.517 3.075 ( -1.400 1.243 -14.846) 14.964 3.150 ( 0.468 0.407 -5.435) 5.470 3.282 ( -0.644 -3.220 3.409) 4.733 3.750 ( 6.795 0.633 -3.990) 7.906 3.913 ( -6.595 10.886 3.569) 13.219 4.464 ( 7.455 4.706 3.578) 9.515 4.900 ( -2.863 9.402 4.013) 10.616 4.980 ( -5.505 -0.079 -5.661) 7.896 5.456 ( -8.989 1.930 -4.394) 10.190 5.569 ( 9.627 -0.200 3.745) 10.332 5.980 ( -4.655 3.343 1.384) 5.896 6.235 ( 1.020 3.591 2.531) 4.510 6.393 ( 5.829 6.251 -6.744) 10.887 6.992 ( 2.194 2.387 0.689) 3.314 7.208 ( -3.286 -3.158 1.667) 4.853 7.433 ( -3.061 1.036 -0.424) 3.259 7.550 ( -5.925 -1.018 1.268) 6.144 7.714 ( 2.342 -6.694 -3.615) 7.960 7.893 ( -0.592 -2.008 -3.108) 3.747 8.447 ( 3.225 2.294 -0.357) 3.974 8.608 ( -2.833 -1.402 4.811) 5.756 10.272 ( 0.449 3.813 1.651) 4.179 10.501 ( -6.314 4.780 -1.683) 8.096 10.744 ( 1.003 5.551 2.674) 6.243 10.996 ( -1.289 6.150 -3.596) 7.240 11.760 ( 7.739 4.707 2.961) 9.530 11.923 ( 3.665 -4.091 1.698) 5.749 12.055 ( -2.039 -2.154 5.920) 6.621 12.260 ( 2.103 -0.148 -2.680) 3.410 12.652 ( -4.268 2.430 4.337) 6.552 12.712 ( 4.920 7.210 -8.729) 12.344 13.616 ( -2.922 -12.665 4.839) 13.869 13.669 ( -1.020 -12.971 -3.648) 13.513 15.898 ( 6.330 -3.228 -3.828) 8.071 16.137 ( -5.020 -6.948 -0.036) 8.572 26.585 ( -0.686 1.497 -0.188) 1.658 26.598 ( -0.455 1.120 -0.759) 1.428 26.796 ( 0.309 -2.560 0.922) 2.739 26.828 ( 0.397 -2.696 -0.173) 2.730 ======================= Grid point 413 (205/251) ======================= q-point: (-0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.001 -4.899 25.354) 25.843 2.232 ( -2.582 8.196 19.971) 21.741 2.756 ( -0.432 -0.811 -11.118) 11.156 2.969 ( -1.157 2.466 -20.355) 20.536 3.179 ( 6.249 -2.180 -1.839) 6.869 3.355 ( -0.704 -3.867 -1.610) 4.248 3.646 ( -2.711 10.869 13.476) 17.524 3.811 ( 9.820 3.013 -0.453) 10.282 4.455 ( -0.777 2.667 -3.189) 4.229 4.626 ( -4.157 15.007 0.090) 15.573 4.958 ( 1.084 0.730 -4.992) 5.161 5.286 ( -14.522 2.614 -2.600) 14.982 5.693 ( 10.824 -2.241 1.718) 11.187 5.922 ( -3.665 -0.276 0.533) 3.714 6.172 ( -1.104 4.566 3.636) 5.940 6.264 ( 5.077 9.460 -6.704) 12.658 6.990 ( 5.521 1.460 0.216) 5.715 7.232 ( -1.729 -1.658 -1.561) 2.859 7.408 ( -7.071 -2.032 1.773) 7.568 7.518 ( -7.542 -1.030 0.868) 7.661 7.844 ( 3.710 -5.998 -3.965) 8.091 7.908 ( -2.402 -1.997 -1.397) 3.422 8.458 ( 7.041 0.787 -0.109) 7.086 8.622 ( -4.357 -1.745 3.036) 5.590 10.208 ( 0.333 4.291 2.346) 4.901 10.359 ( -4.015 5.465 -2.898) 7.374 10.659 ( -0.648 5.073 4.053) 6.525 10.839 ( -2.204 7.231 -3.985) 8.545 11.737 ( 8.003 5.835 6.878) 12.058 12.032 ( 3.126 -3.550 1.065) 4.849 12.139 ( -2.272 -6.087 3.903) 7.580 12.247 ( 0.454 0.935 -7.558) 7.629 12.554 ( -0.048 4.964 -0.024) 4.965 12.634 ( 1.845 3.508 -2.912) 4.918 13.840 ( 0.215 -11.378 2.494) 11.650 13.867 ( -2.403 -10.495 1.097) 10.822 16.003 ( 9.368 -3.248 -5.117) 11.158 16.224 ( -9.180 -8.337 -0.091) 12.401 26.557 ( -0.621 1.019 -0.064) 1.195 26.574 ( -0.506 0.850 -0.895) 1.334 26.846 ( 0.387 -2.165 0.994) 2.413 26.875 ( 0.190 -2.298 -0.298) 2.325 ======================= Grid point 414 (206/251) ======================= q-point: (-0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 3.901 -5.404 25.042) 25.914 2.171 ( -1.697 4.584 23.906) 24.401 2.697 ( -4.028 0.073 -10.048) 10.826 2.827 ( -1.327 4.164 -20.231) 20.698 3.236 ( 0.185 2.660 6.944) 7.438 3.408 ( 10.930 -2.145 -5.416) 12.385 3.616 ( -4.329 -3.777 13.976) 15.111 3.818 ( 7.924 4.279 -1.653) 9.156 4.271 ( -6.688 10.634 -0.807) 12.589 4.381 ( -1.265 7.031 -15.707) 17.255 4.956 ( 4.867 0.962 0.438) 4.980 5.145 ( -12.942 0.281 -1.460) 13.027 5.830 ( 7.707 -4.128 0.824) 8.782 5.926 ( -4.170 -3.028 0.736) 5.206 6.073 ( -4.314 5.544 4.163) 8.166 6.126 ( 6.872 7.935 -6.638) 12.420 7.024 ( 6.733 0.626 1.949) 7.037 7.224 ( -5.382 -1.005 -3.861) 6.700 7.393 ( -5.424 -1.050 2.957) 6.267 7.478 ( -6.150 -0.653 -0.246) 6.190 7.912 ( -2.259 -1.702 1.579) 3.240 7.959 ( 4.630 -3.563 -5.213) 7.830 8.522 ( 9.015 -0.559 -0.908) 9.077 8.617 ( -5.885 -1.246 1.189) 6.131 10.147 ( -0.208 3.208 2.930) 4.350 10.236 ( -1.004 4.323 -3.469) 5.633 10.584 ( -3.436 3.307 6.195) 7.818 10.711 ( 0.550 3.988 -4.971) 6.396 11.740 ( 7.257 3.240 8.041) 11.306 12.058 ( -1.699 1.443 -4.902) 5.385 12.209 ( 0.189 -2.447 -1.943) 3.130 12.248 ( -1.916 -4.091 -1.116) 4.653 12.509 ( 3.323 2.212 1.145) 4.153 12.578 ( -0.255 2.477 -1.225) 2.775 13.999 ( -3.041 -5.533 3.740) 7.338 14.023 ( 3.432 -6.450 -0.638) 7.334 16.122 ( 10.935 -2.482 -3.822) 11.847 16.262 ( -13.692 -5.405 -0.419) 14.726 26.539 ( -0.362 0.510 0.100) 0.634 26.555 ( -0.512 0.491 -0.832) 1.093 26.884 ( 0.452 -1.261 0.944) 1.639 26.907 ( -0.113 -1.299 -0.401) 1.364 ======================= Grid point 416 (207/251) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -1.673 -0.000 7.236) 7.427 2.429 ( -1.191 -0.000 6.617) 6.723 2.456 ( -2.367 -0.000 0.059) 2.368 2.564 ( 5.622 0.000 -6.594) 8.665 3.221 ( -7.705 -0.000 5.965) 9.745 3.486 ( -6.565 -0.000 -8.827) 11.001 3.614 ( -0.014 -0.000 -3.399) 3.399 3.940 ( 10.123 0.000 5.281) 11.418 4.121 ( 3.274 0.000 -2.900) 4.374 4.237 ( 7.369 0.000 -8.006) 10.881 4.945 ( -3.426 -0.000 -0.873) 3.536 5.192 ( 13.141 0.000 4.690) 13.953 5.794 ( -13.166 -0.000 7.171) 14.992 5.856 ( -8.133 -0.000 0.124) 8.134 6.003 ( 1.355 0.000 0.226) 1.373 6.136 ( 4.769 0.000 -6.227) 7.843 6.925 ( -12.177 -0.000 2.309) 12.393 7.099 ( -6.360 -0.000 8.206) 10.382 7.514 ( 7.364 0.000 3.073) 7.980 7.542 ( 11.864 0.000 -2.054) 12.040 7.921 ( 0.680 0.000 0.969) 1.184 8.073 ( 7.409 0.000 -8.854) 11.544 8.448 ( -8.715 -0.000 -0.122) 8.716 8.691 ( 4.850 0.000 -1.398) 5.048 10.167 ( 2.754 0.000 1.625) 3.198 10.179 ( 2.283 0.000 -3.376) 4.075 10.564 ( -0.335 -0.000 6.815) 6.823 10.680 ( 3.100 0.000 -4.659) 5.596 11.803 ( -8.654 -0.000 -9.862) 13.121 11.929 ( 3.669 0.000 7.700) 8.530 12.197 ( -3.055 -0.000 0.179) 3.060 12.333 ( 5.073 0.000 0.575) 5.106 12.466 ( -5.500 -0.000 -1.657) 5.745 12.555 ( 0.286 0.000 -0.121) 0.311 14.044 ( 0.530 0.000 1.577) 1.664 14.170 ( 5.414 0.000 -5.266) 7.552 15.946 ( -16.450 -0.000 7.015) 17.883 16.358 ( 5.762 0.000 2.071) 6.123 26.539 ( 0.144 0.000 -0.196) 0.243 26.541 ( 0.492 0.000 0.690) 0.847 26.905 ( -0.485 -0.000 -0.647) 0.809 26.911 ( 0.060 0.000 0.643) 0.646 ======================= Grid point 417 (208/251) ======================= q-point: ( 0.20 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -7.168 2.956 -15.699) 17.510 2.430 ( -3.380 -0.318 3.127) 4.615 2.593 ( 6.507 -4.909 17.404) 19.218 2.611 ( 5.940 0.832 0.719) 6.041 3.170 ( -7.326 -0.081 -2.239) 7.661 3.429 ( -6.937 -3.638 -6.304) 10.055 3.624 ( 0.882 -1.624 -4.026) 4.430 3.940 ( 7.784 5.393 -11.533) 14.923 4.229 ( 3.290 -8.102 9.974) 13.264 4.439 ( 9.016 -13.130 -3.619) 16.333 4.889 ( -2.589 3.080 2.049) 4.515 5.330 ( 14.036 -0.943 4.173) 14.674 5.659 ( -11.575 2.379 1.131) 11.871 5.904 ( -9.504 -9.026 5.882) 14.367 5.983 ( 1.451 1.892 -0.623) 2.464 6.185 ( 1.153 -3.603 -5.269) 6.487 6.860 ( -8.762 -1.119 3.841) 9.633 7.085 ( -7.896 -1.742 7.653) 11.133 7.578 ( 7.520 0.659 3.236) 8.213 7.610 ( 12.065 2.702 -0.999) 12.404 7.899 ( 1.925 3.912 0.366) 4.375 8.052 ( 4.843 4.621 -8.472) 10.797 8.393 ( -6.133 -1.246 -0.565) 6.284 8.710 ( 3.048 0.582 -1.653) 3.516 10.176 ( 1.754 -0.790 -0.285) 1.944 10.281 ( 5.242 -6.350 -1.215) 8.324 10.602 ( 0.237 -1.677 4.626) 4.926 10.735 ( 3.421 -4.652 -2.636) 6.348 11.721 ( -10.376 -2.657 -8.868) 13.905 11.995 ( 0.359 -2.105 5.745) 6.129 12.145 ( -1.324 3.435 2.565) 4.486 12.312 ( 1.952 4.748 -2.200) 5.586 12.449 ( -3.544 -2.089 0.480) 4.142 12.585 ( 0.035 -3.454 -1.052) 3.610 14.016 ( 2.380 4.483 -0.519) 5.102 14.121 ( 3.752 7.632 -4.620) 9.678 15.839 ( -12.518 1.527 8.511) 15.214 16.362 ( 2.585 4.037 2.591) 5.449 26.546 ( 0.418 -0.541 0.064) 0.686 26.553 ( 0.610 -0.450 0.773) 1.083 26.888 ( -0.438 1.186 -0.745) 1.467 26.900 ( -0.202 1.343 0.507) 1.449 ======================= Grid point 418 (209/251) ======================= q-point: ( 0.30 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -3.957 2.077 -17.773) 18.326 2.422 ( -3.221 0.743 11.106) 11.587 2.614 ( 2.790 1.866 -4.876) 5.920 2.810 ( 6.719 -7.244 10.756) 14.605 3.118 ( -2.371 -0.558 -5.402) 5.925 3.442 ( -1.204 -2.770 -6.650) 7.303 3.630 ( -2.901 0.058 -0.231) 2.911 3.925 ( 5.979 -3.726 -10.882) 12.963 4.375 ( -3.864 -3.661 2.367) 5.825 4.745 ( 8.058 -13.287 -0.336) 15.543 4.875 ( 1.617 -1.454 7.267) 7.586 5.439 ( 5.732 0.844 4.511) 7.343 5.573 ( -3.123 -0.954 -3.216) 4.583 5.987 ( 2.516 -1.447 -1.069) 3.093 6.033 ( -7.905 -9.574 8.296) 14.932 6.230 ( -2.231 -3.745 -4.150) 6.019 6.857 ( -5.447 -3.065 4.828) 7.898 7.089 ( -8.365 -3.002 6.963) 11.290 7.605 ( 5.399 3.063 -0.207) 6.210 7.647 ( 12.648 3.433 0.264) 13.108 7.818 ( 2.863 6.968 -0.158) 7.535 7.947 ( -0.910 5.163 -4.760) 7.081 8.393 ( -1.600 -2.001 -0.952) 2.734 8.710 ( 1.680 0.690 -2.681) 3.238 10.221 ( 1.756 -2.409 0.250) 2.992 10.453 ( 7.057 -7.268 -1.290) 10.212 10.658 ( -0.309 -3.313 2.245) 4.014 10.862 ( 2.375 -6.574 -0.222) 6.993 11.669 ( -11.911 -4.068 -5.899) 13.901 11.983 ( -3.837 2.905 -0.426) 4.831 12.136 ( -0.200 -1.163 7.382) 7.476 12.221 ( 0.500 4.548 -3.998) 6.076 12.471 ( -2.326 -2.228 3.826) 5.002 12.663 ( 1.180 -5.110 -2.660) 5.880 13.916 ( 2.982 10.503 -2.731) 11.254 13.938 ( 3.116 11.666 -2.939) 12.427 15.766 ( -6.801 1.154 8.229) 10.738 16.284 ( 0.175 6.177 1.257) 6.306 26.564 ( 0.541 -0.956 0.317) 1.143 26.572 ( 0.681 -0.905 0.677) 1.319 26.852 ( -0.423 2.146 -0.818) 2.335 26.866 ( -0.366 2.277 0.345) 2.332 ======================= Grid point 419 (210/251) ======================= q-point: ( 0.40 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.346 4.256 -18.091) 18.588 2.436 ( -2.542 -0.241 12.563) 12.820 2.568 ( 0.293 1.147 -9.023) 9.100 3.002 ( 4.117 -5.596 2.944) 7.545 3.120 ( 0.580 -1.846 -1.025) 2.190 3.439 ( 5.781 2.070 -10.281) 11.975 3.592 ( -9.567 -2.529 -0.430) 9.905 4.030 ( 5.198 -0.830 2.157) 5.689 4.410 ( -4.819 -8.996 -4.544) 11.171 4.951 ( 5.394 -0.093 7.637) 9.350 5.017 ( 5.211 -9.892 -0.648) 11.199 5.400 ( -6.984 1.743 -0.518) 7.217 5.625 ( 7.833 -1.012 0.154) 7.899 6.067 ( 2.260 -5.111 -0.951) 5.669 6.156 ( -5.459 -6.718 7.178) 11.245 6.261 ( -3.408 -3.678 -2.265) 5.502 6.912 ( -3.429 -4.865 4.752) 7.617 7.101 ( -8.315 -2.820 6.483) 10.915 7.575 ( 5.375 3.943 -2.632) 7.167 7.664 ( 7.820 3.900 -2.552) 9.104 7.711 ( 3.873 7.168 0.060) 8.147 7.858 ( -1.991 2.073 0.533) 2.924 8.421 ( -0.094 -1.846 0.197) 1.859 8.692 ( 0.439 1.132 -3.746) 3.938 10.284 ( 2.185 -2.446 0.801) 3.376 10.627 ( 8.009 -5.861 -1.684) 10.066 10.724 ( -1.975 -3.864 1.294) 4.528 10.975 ( -0.779 -4.736 0.320) 4.811 11.643 ( -9.789 -4.218 -0.677) 10.681 11.896 ( -3.024 2.469 -2.017) 4.395 12.146 ( 0.145 2.007 -4.365) 4.807 12.175 ( -2.242 -1.444 4.392) 5.138 12.529 ( -2.464 -4.320 7.799) 9.250 12.759 ( 1.616 -5.218 -3.557) 6.518 13.643 ( -0.459 17.015 1.723) 17.108 13.788 ( 6.807 10.154 -7.716) 14.456 15.744 ( -2.081 0.451 6.582) 6.917 16.172 ( -1.076 5.566 -0.502) 5.691 26.589 ( 0.423 -1.171 0.562) 1.366 26.601 ( 0.791 -1.433 0.378) 1.680 26.801 ( -0.558 2.761 -0.589) 2.877 26.820 ( -0.302 2.493 -0.003) 2.511 ======================= Grid point 420 (211/251) ======================= q-point: ( 0.50 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 3.282 6.225 -12.825) 14.629 2.468 ( -2.098 -1.730 6.152) 6.726 2.543 ( 1.217 -0.958 -7.472) 7.631 3.059 ( -3.229 -2.269 -6.262) 7.402 3.193 ( 6.516 -0.601 5.382) 8.473 3.402 ( 2.100 2.100 -5.893) 6.599 3.580 ( -4.343 -2.778 -1.918) 5.500 4.033 ( -2.848 -0.065 -0.724) 2.939 4.579 ( 0.342 -9.204 0.319) 9.216 4.998 ( 8.472 3.429 4.721) 10.287 5.164 ( -0.525 -4.001 0.424) 4.058 5.323 ( -1.313 0.542 -1.580) 2.125 5.682 ( 3.765 0.633 0.416) 3.840 6.151 ( -2.809 -2.755 2.256) 4.536 6.233 ( -3.655 -3.879 2.447) 5.865 6.312 ( 1.626 -4.556 -2.417) 5.408 6.994 ( -2.339 -4.676 3.721) 6.417 7.095 ( -7.843 -1.281 6.210) 10.086 7.545 ( 3.993 1.943 -3.907) 5.915 7.610 ( 2.129 4.384 -2.687) 5.565 7.643 ( 2.874 4.011 -0.149) 4.937 7.841 ( 1.330 0.571 1.664) 2.205 8.456 ( -0.151 -1.688 2.202) 2.779 8.652 ( -0.506 1.787 -3.644) 4.090 10.338 ( 2.229 -1.026 1.205) 2.734 10.728 ( -3.288 -0.100 -0.044) 3.289 10.790 ( 5.230 -4.584 -0.830) 7.004 11.025 ( -1.580 -2.745 -0.433) 3.197 11.671 ( -4.338 -4.508 3.109) 6.986 11.834 ( -1.500 1.804 -2.103) 3.150 12.131 ( -0.896 -1.660 -2.730) 3.318 12.190 ( -1.403 -1.320 1.345) 2.349 12.638 ( -2.607 -6.837 8.113) 10.925 12.832 ( 0.160 -2.081 -0.713) 2.206 13.364 ( -0.960 12.654 2.667) 12.968 13.626 ( 7.050 10.263 -10.758) 16.455 15.757 ( 0.730 -0.309 4.638) 4.705 16.077 ( -1.627 3.188 -1.760) 3.989 26.614 ( 0.296 -1.052 0.478) 1.193 26.637 ( 0.663 -1.659 0.155) 1.793 26.745 ( -0.575 2.610 -0.163) 2.677 26.777 ( -0.204 1.835 -0.293) 1.869 ======================= Grid point 421 (212/251) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 4.027 4.395 -0.747) 6.008 2.513 ( -0.324 -3.324 -1.337) 3.597 2.552 ( 1.940 -0.798 -6.052) 6.405 3.035 ( -4.732 -1.727 -7.572) 9.094 3.235 ( 6.196 3.289 2.843) 7.569 3.355 ( -0.462 3.210 2.647) 4.187 3.622 ( 0.867 -4.930 -4.847) 6.968 4.004 ( -6.086 -1.490 -5.403) 8.273 4.697 ( 0.779 -3.422 2.863) 4.529 4.949 ( 5.617 9.176 4.194) 11.548 5.178 ( -3.439 1.000 -0.023) 3.582 5.391 ( 6.837 -3.923 1.683) 8.060 5.657 ( 0.534 3.332 -0.869) 3.485 6.121 ( -6.756 2.396 3.442) 7.952 6.272 ( -0.247 -1.999 0.538) 2.084 6.412 ( 3.484 -4.312 -4.597) 7.202 7.041 ( -2.040 -0.443 2.937) 3.603 7.088 ( -6.092 -2.898 5.390) 8.635 7.530 ( 0.649 2.126 -5.286) 5.734 7.553 ( -2.511 0.002 -1.368) 2.860 7.602 ( 5.343 3.252 0.555) 6.280 7.851 ( 1.277 0.019 -0.301) 1.312 8.488 ( 0.079 -0.766 2.532) 2.646 8.605 ( -1.084 1.431 -1.056) 2.083 10.360 ( 1.876 0.925 1.551) 2.604 10.647 ( -7.086 3.091 -1.003) 7.796 10.875 ( 3.945 0.268 1.370) 4.185 11.066 ( 0.942 -2.224 -2.756) 3.665 11.737 ( -1.641 -3.681 3.468) 5.317 11.811 ( 1.682 -0.674 -0.854) 2.004 12.139 ( -1.311 0.369 2.246) 2.627 12.227 ( 1.227 -2.751 -2.478) 3.901 12.760 ( -1.439 -2.576 5.686) 6.406 12.804 ( -3.021 2.463 6.627) 7.689 13.264 ( -0.468 -2.533 -1.881) 3.189 13.478 ( 5.038 6.274 -11.301) 13.872 15.798 ( 2.071 -1.576 2.907) 3.902 16.024 ( -2.067 0.274 -2.342) 3.136 26.627 ( 0.166 0.137 -0.000) 0.215 26.652 ( -0.299 0.910 -0.191) 0.977 26.718 ( 0.178 -0.632 0.513) 0.833 26.758 ( -0.068 -0.252 -0.277) 0.381 ======================= Grid point 422 (213/251) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 3.560 0.064 13.555) 14.015 2.515 ( 2.407 5.455 8.019) 9.993 2.593 ( -0.871 -7.243 -18.102) 19.516 2.994 ( -5.052 -1.260 -11.163) 12.318 3.211 ( 4.992 4.121 1.685) 6.689 3.307 ( 1.114 3.113 2.670) 4.250 3.724 ( 2.708 -5.653 -3.047) 6.969 3.947 ( -5.752 0.514 -4.852) 7.543 4.726 ( 6.972 7.131 6.925) 12.142 4.880 ( 3.463 1.338 2.818) 4.661 5.066 ( -5.555 6.895 -1.179) 8.932 5.421 ( -7.553 2.968 -3.504) 8.839 5.662 ( 11.377 -0.006 3.341) 11.857 6.012 ( -6.619 4.063 1.775) 7.967 6.290 ( 0.223 0.868 1.902) 2.102 6.456 ( 1.604 0.021 -6.407) 6.605 7.029 ( -1.938 0.485 4.281) 4.725 7.121 ( -3.091 -2.805 1.733) 4.520 7.464 ( -1.334 2.621 -2.761) 4.034 7.510 ( -4.966 0.810 0.319) 5.041 7.652 ( 7.460 -2.434 -2.130) 8.131 7.853 ( -1.172 -0.540 -2.186) 2.539 8.501 ( 2.723 0.789 0.416) 2.865 8.583 ( -2.890 -0.098 2.816) 4.036 10.345 ( 1.272 2.759 2.160) 3.727 10.526 ( -5.366 3.974 -2.333) 7.072 10.859 ( 1.730 4.384 3.399) 5.811 11.056 ( -0.654 2.814 -4.558) 5.396 11.813 ( 2.951 -3.728 2.381) 5.317 11.877 ( 1.955 -4.070 0.991) 4.623 12.106 ( -0.115 4.040 5.199) 6.585 12.264 ( 1.910 -0.665 -2.833) 3.481 12.684 ( -4.950 4.319 8.481) 10.728 12.817 ( 1.831 2.471 -3.641) 4.766 13.387 ( -1.469 -10.878 -0.000) 10.977 13.464 ( 2.378 -6.343 -7.579) 10.165 15.867 ( 2.383 -3.402 1.668) 4.476 16.017 ( -2.671 -2.419 -2.395) 4.327 26.611 ( -0.159 1.592 -0.249) 1.619 26.618 ( -0.458 1.676 -0.302) 1.764 26.756 ( 0.309 -2.429 0.827) 2.585 26.783 ( 0.126 -2.281 -0.317) 2.306 ======================= Grid point 423 (214/251) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 2.835 -3.513 24.063) 24.483 2.438 ( 0.729 8.294 14.631) 16.834 2.625 ( -3.611 -5.073 -20.667) 21.585 2.919 ( -2.082 0.797 -18.434) 18.568 3.214 ( 6.640 0.439 0.436) 6.669 3.293 ( 0.636 -0.680 -0.410) 1.018 3.808 ( 2.499 0.896 1.437) 3.019 3.881 ( -0.910 0.925 0.194) 1.312 4.623 ( 6.865 11.990 6.569) 15.299 4.834 ( -6.293 11.550 -2.000) 13.304 4.953 ( 5.411 -1.499 1.142) 5.729 5.232 ( -12.769 5.031 -5.782) 14.893 5.768 ( 10.419 0.081 2.753) 10.777 5.908 ( -5.368 2.316 0.607) 5.877 6.252 ( -1.769 3.814 4.107) 5.877 6.394 ( 0.619 4.787 -6.847) 8.377 7.033 ( -1.669 -0.454 5.689) 5.946 7.148 ( -0.530 -2.060 -2.688) 3.428 7.409 ( -1.705 1.777 1.848) 3.079 7.465 ( -3.414 0.259 -0.933) 3.549 7.768 ( 6.800 -4.942 -3.400) 9.068 7.842 ( -3.583 -1.596 -2.414) 4.606 8.522 ( 6.130 0.534 -0.520) 6.175 8.570 ( -5.124 -0.749 3.206) 6.090 10.298 ( -0.115 4.076 3.371) 5.291 10.411 ( -1.721 4.444 -4.043) 6.250 10.782 ( 0.140 6.386 4.959) 8.087 10.937 ( -1.411 6.721 -5.154) 8.586 11.904 ( 5.746 0.666 4.814) 7.525 11.978 ( 1.886 -4.912 0.580) 5.293 12.061 ( -1.629 0.431 5.837) 6.075 12.254 ( 0.358 1.591 -5.765) 5.991 12.601 ( -6.260 2.980 6.309) 9.374 12.733 ( 4.657 5.874 -8.053) 11.002 13.610 ( -0.598 -14.272 1.846) 14.403 13.649 ( 1.416 -12.303 -3.182) 12.786 15.965 ( -0.423 -5.546 2.426) 6.068 16.049 ( -1.379 -3.992 -3.193) 5.294 26.577 ( -0.328 1.596 0.132) 1.635 26.588 ( -0.233 1.314 -0.671) 1.494 26.808 ( 0.259 -2.640 0.927) 2.810 26.829 ( 0.053 -2.707 -0.453) 2.745 ======================= Grid point 424 (215/251) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 2.547 -5.544 28.323) 28.973 2.356 ( 1.036 7.375 19.660) 21.023 2.579 ( -6.231 -2.256 -18.438) 19.593 2.810 ( 1.128 2.774 -24.007) 24.193 3.269 ( -0.099 -1.281 2.582) 2.884 3.365 ( 6.797 -5.717 -6.009) 10.724 3.728 ( -0.372 8.230 12.694) 15.133 3.902 ( 3.686 0.453 -4.575) 5.893 4.446 ( -0.052 13.154 2.549) 13.398 4.536 ( -1.886 14.099 -6.297) 15.556 5.028 ( 5.948 -0.552 0.873) 6.037 5.055 ( -9.130 2.404 -2.032) 9.657 5.841 ( 1.093 -0.716 1.395) 1.911 5.858 ( 0.157 -0.897 -0.392) 0.992 6.153 ( -5.312 5.945 5.596) 9.740 6.279 ( 3.012 6.477 -6.296) 9.522 7.043 ( -7.264 -1.667 7.365) 10.478 7.163 ( 2.834 0.642 -4.233) 5.134 7.387 ( -2.365 -0.362 3.826) 4.512 7.447 ( 2.153 0.342 -2.257) 3.138 7.850 ( -3.214 -3.050 -0.601) 4.472 7.900 ( 6.333 -5.241 -5.090) 9.669 8.548 ( -6.326 -0.882 1.745) 6.621 8.575 ( 7.310 -0.587 -1.103) 7.416 10.225 ( -1.708 4.305 3.783) 5.980 10.312 ( 2.300 5.170 -4.763) 7.396 10.674 ( -2.671 6.411 6.461) 9.486 10.795 ( 1.526 6.330 -5.388) 8.451 11.903 ( 5.841 5.370 8.472) 11.607 12.044 ( -2.853 -0.324 -2.964) 4.126 12.113 ( -3.427 -4.901 2.380) 6.437 12.199 ( 1.664 -0.616 -6.789) 7.017 12.543 ( -3.658 1.071 4.585) 5.963 12.646 ( 3.240 4.793 -5.367) 7.891 13.854 ( 0.281 -9.920 0.693) 9.948 13.872 ( 2.730 -12.618 -1.102) 12.957 16.040 ( -12.915 -6.368 5.112) 15.281 16.134 ( 8.242 -4.096 -4.149) 10.095 26.552 ( -0.074 1.045 0.341) 1.102 26.563 ( -0.219 1.006 -0.664) 1.225 26.858 ( 0.278 -2.259 0.882) 2.441 26.872 ( -0.186 -2.230 -0.540) 2.302 ======================= Grid point 427 (216/251) ======================= q-point: ( 0.20 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -8.377 -0.000 -14.090) 16.392 2.332 ( -0.971 -0.000 -15.494) 15.525 2.670 ( 5.733 0.000 22.321) 23.046 2.721 ( 4.103 0.000 12.085) 12.763 3.076 ( -10.032 -0.000 -3.005) 10.473 3.299 ( -9.641 -0.000 -2.142) 9.876 3.612 ( 7.630 0.000 -12.990) 15.065 4.068 ( 5.078 0.000 -13.930) 14.826 4.258 ( 10.701 0.000 16.684) 19.821 4.308 ( 5.867 0.000 -5.141) 7.800 4.922 ( 0.071 0.000 0.823) 0.826 5.451 ( 14.437 0.000 5.109) 15.314 5.628 ( -13.323 -0.000 6.756) 14.938 5.708 ( -10.716 -0.000 0.411) 10.724 5.999 ( -1.881 -0.000 -0.433) 1.931 6.148 ( 2.357 0.000 -5.401) 5.893 6.798 ( -6.876 -0.000 4.002) 7.956 7.036 ( -7.833 -0.000 7.893) 11.120 7.657 ( 7.179 0.000 4.285) 8.360 7.723 ( 9.377 0.000 1.916) 9.571 7.962 ( 4.067 0.000 0.268) 4.076 8.122 ( 7.165 0.000 -10.655) 12.840 8.317 ( -6.930 -0.000 -0.677) 6.963 8.724 ( 0.466 0.000 -1.580) 1.648 10.209 ( 4.531 0.000 -3.341) 5.629 10.241 ( 5.236 0.000 1.704) 5.506 10.622 ( 2.097 0.000 5.339) 5.736 10.701 ( 2.830 0.000 -3.534) 4.527 11.586 ( -10.523 -0.000 -7.983) 13.209 11.986 ( -2.364 -0.000 3.610) 4.315 12.187 ( 1.230 0.000 2.853) 3.107 12.358 ( -6.031 -0.000 -2.036) 6.365 12.407 ( 3.662 0.000 -0.418) 3.686 12.540 ( -1.424 -0.000 -0.347) 1.465 14.074 ( 2.825 0.000 -1.083) 3.026 14.199 ( 2.324 0.000 -4.549) 5.109 15.794 ( -9.135 -0.000 8.856) 12.723 16.419 ( -1.207 -0.000 4.630) 4.785 26.546 ( 0.686 0.000 0.390) 0.789 26.557 ( 0.724 0.000 0.903) 1.157 26.893 ( -0.400 -0.000 -0.802) 0.896 26.911 ( -0.496 -0.000 0.326) 0.594 ======================= Grid point 428 (217/251) ======================= q-point: ( 0.30 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -4.432 1.576 -13.492) 14.289 2.340 ( -1.683 -5.549 -11.442) 12.828 2.690 ( -3.810 5.548 7.353) 9.968 2.813 ( 6.157 -2.458 14.971) 16.373 3.064 ( -4.330 -4.635 -1.906) 6.623 3.264 ( -7.886 -4.204 0.457) 8.948 3.669 ( 10.977 -1.880 -8.992) 14.314 3.942 ( 4.636 6.683 -15.032) 17.092 4.338 ( -0.729 -1.654 7.823) 8.029 4.570 ( 10.928 -12.846 -0.908) 16.890 4.910 ( 1.636 1.021 5.208) 5.553 5.471 ( -9.653 3.526 3.491) 10.854 5.585 ( 11.152 -0.860 -0.035) 11.185 5.783 ( -10.519 -11.896 6.247) 17.064 5.976 ( -1.724 -0.254 -0.994) 2.006 6.160 ( 0.838 -1.353 -4.537) 4.808 6.785 ( -4.659 -1.963 4.563) 6.811 7.012 ( -7.661 -1.279 7.459) 10.768 7.696 ( 4.598 2.719 3.163) 6.208 7.790 ( 8.152 0.760 3.711) 8.989 7.960 ( 5.635 4.508 0.258) 7.221 8.042 ( 1.851 7.834 -8.714) 11.864 8.325 ( -1.328 -3.901 -2.309) 4.724 8.711 ( -1.237 0.172 -2.373) 2.682 10.222 ( 4.926 0.135 -1.307) 5.098 10.372 ( 6.643 -6.782 0.251) 9.497 10.646 ( 2.098 0.058 1.835) 2.787 10.768 ( 1.628 -5.185 -0.619) 5.470 11.500 ( -10.504 -2.296 -5.456) 12.057 11.966 ( -5.740 -0.126 0.208) 5.745 12.184 ( 1.430 2.814 5.507) 6.348 12.274 ( -2.897 3.224 -2.812) 5.166 12.439 ( 0.875 -1.386 -0.154) 1.647 12.574 ( -0.344 -4.241 -0.650) 4.305 14.056 ( 3.923 4.213 -2.911) 6.451 14.127 ( 0.100 7.498 -2.305) 7.845 15.766 ( -3.740 0.499 8.065) 8.904 16.374 ( -4.012 4.067 4.122) 7.045 26.558 ( 0.830 -0.456 0.609) 1.126 26.569 ( 0.753 -0.386 0.915) 1.247 26.876 ( -0.345 1.198 -0.872) 1.521 26.895 ( -0.708 1.278 0.152) 1.469 ======================= Grid point 429 (218/251) ======================= q-point: ( 0.40 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.487 0.983 -13.383) 13.428 2.388 ( -4.776 -4.369 -1.366) 6.615 2.580 ( -1.655 3.432 -5.831) 6.965 2.937 ( 2.339 -2.677 5.551) 6.592 3.104 ( -3.148 -3.712 2.696) 5.564 3.322 ( -5.146 -7.356 -1.467) 9.097 3.648 ( 5.703 8.825 -5.109) 11.684 4.002 ( 11.342 -8.458 -6.741) 15.672 4.311 ( -5.766 1.598 3.606) 6.986 4.848 ( 5.210 -11.230 -2.346) 12.600 5.001 ( 7.000 -3.542 7.667) 10.970 5.369 ( -6.655 1.310 -0.864) 6.837 5.676 ( 7.439 -0.776 -0.075) 7.480 5.942 ( -9.895 -10.732 6.662) 16.045 6.001 ( -0.030 -4.490 -0.916) 4.582 6.178 ( -0.206 -2.087 -3.128) 3.767 6.823 ( -2.871 -3.722 4.632) 6.599 7.011 ( -7.458 -2.449 6.922) 10.466 7.666 ( 1.709 3.794 1.643) 4.474 7.829 ( 9.659 6.026 -1.681) 11.508 7.870 ( 0.106 6.283 -2.851) 6.900 7.913 ( 4.058 5.277 1.843) 6.907 8.378 ( 0.316 -2.944 -1.695) 3.412 8.684 ( -2.034 0.170 -3.880) 4.384 10.275 ( 5.316 -1.583 -0.501) 5.569 10.557 ( 6.385 -7.430 -0.098) 9.797 10.677 ( 1.289 -1.486 0.157) 1.973 10.867 ( -2.329 -5.588 -0.247) 6.059 11.477 ( -8.233 -4.907 -0.480) 9.596 11.900 ( -5.401 1.609 -2.467) 6.152 12.163 ( -1.859 1.164 5.479) 5.901 12.188 ( -0.736 3.520 -3.487) 5.009 12.483 ( 0.449 -2.432 3.207) 4.050 12.660 ( 0.565 -5.473 -2.263) 5.949 13.920 ( -1.503 13.257 1.497) 13.425 13.976 ( 5.177 7.921 -5.963) 11.185 15.771 ( 0.879 0.660 6.361) 6.456 16.257 ( -4.918 5.736 2.021) 7.822 26.578 ( 0.692 -0.758 0.748) 1.270 26.589 ( 0.832 -0.822 0.693) 1.359 26.839 ( -0.429 2.196 -0.749) 2.360 26.859 ( -0.639 2.114 -0.091) 2.210 ======================= Grid point 430 (219/251) ======================= q-point: ( 0.50 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 4.842 2.920 -11.890) 13.166 2.387 ( -9.939 -2.257 -0.366) 10.198 2.540 ( 5.467 -0.114 -6.980) 8.867 2.959 ( -6.045 -1.351 -0.815) 6.247 3.196 ( -0.150 -6.425 1.902) 6.703 3.409 ( -0.433 -5.832 -8.097) 9.988 3.534 ( 4.557 6.575 2.647) 8.427 4.048 ( -4.412 4.618 0.525) 6.409 4.437 ( 8.049 -11.058 2.574) 13.918 5.032 ( -1.429 -8.171 -0.371) 8.303 5.132 ( 10.129 -0.299 3.239) 10.639 5.314 ( -1.204 0.182 -1.535) 1.959 5.723 ( 3.275 0.132 -0.717) 3.355 6.042 ( -8.067 -6.944 3.752) 11.286 6.108 ( -1.832 -6.605 0.456) 6.870 6.224 ( 0.389 -4.164 -1.682) 4.508 6.899 ( -1.500 -4.877 3.921) 6.435 7.023 ( -7.013 -2.449 6.283) 9.730 7.610 ( 0.121 3.518 0.448) 3.548 7.695 ( 1.292 6.807 -7.243) 10.024 7.799 ( 6.501 7.377 1.580) 9.959 7.899 ( 3.962 2.385 3.360) 5.716 8.425 ( -0.043 -2.422 0.608) 2.497 8.647 ( -2.207 0.410 -4.769) 5.271 10.346 ( 5.131 -1.375 0.371) 5.325 10.690 ( -3.487 -1.137 -0.278) 3.678 10.735 ( 6.421 -5.877 -0.909) 8.752 10.929 ( -4.164 -5.149 -0.657) 6.655 11.544 ( -4.086 -6.635 4.402) 8.950 11.831 ( -2.883 0.958 -3.469) 4.611 12.120 ( 0.267 2.013 -3.263) 3.843 12.154 ( -3.482 -0.858 3.046) 4.705 12.556 ( -0.375 -3.940 6.382) 7.510 12.754 ( 0.762 -5.247 -3.467) 6.335 13.645 ( -2.366 16.226 5.332) 17.242 13.832 ( 6.183 10.256 -9.657) 15.384 15.793 ( 3.025 0.873 4.856) 5.788 16.125 ( -4.316 4.812 -0.305) 6.471 26.601 ( 0.451 -0.970 0.790) 1.330 26.616 ( 0.807 -1.260 0.298) 1.526 26.789 ( -0.510 2.719 -0.308) 2.784 26.813 ( -0.436 2.362 -0.431) 2.440 ======================= Grid point 431 (220/251) ======================= q-point: ( 0.60 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 7.483 4.444 -5.583) 10.340 2.352 ( -8.435 -4.576 -8.969) 13.135 2.587 ( 5.667 -0.525 0.220) 5.695 2.921 ( -8.590 -2.487 -4.603) 10.058 3.311 ( 3.060 -4.129 0.285) 5.147 3.432 ( 5.358 3.147 -4.975) 7.960 3.527 ( -0.303 -2.354 4.129) 4.762 3.927 ( -6.234 2.279 -4.271) 7.892 4.653 ( 4.408 -4.967 5.818) 8.829 5.110 ( -4.454 -3.653 -4.850) 7.530 5.169 ( 8.412 5.331 5.087) 11.183 5.370 ( 4.722 -3.910 1.691) 6.359 5.725 ( 4.076 1.780 -1.188) 4.604 6.069 ( -10.434 -2.683 2.747) 11.118 6.206 ( 0.275 -4.882 0.411) 4.907 6.313 ( -0.255 -5.839 -2.499) 6.357 6.991 ( -0.847 -4.699 2.890) 5.581 7.026 ( -5.095 -1.111 5.284) 7.424 7.550 ( -2.328 2.322 0.007) 3.288 7.579 ( 0.448 4.586 -5.710) 7.337 7.736 ( 7.161 5.794 1.316) 9.305 7.885 ( 1.444 2.359 0.723) 2.859 8.470 ( -0.447 -2.110 2.900) 3.614 8.607 ( -1.528 0.560 -3.839) 4.170 10.397 ( 3.638 0.222 1.790) 4.061 10.633 ( -6.188 1.747 -1.906) 6.706 10.877 ( 4.473 -4.111 0.464) 6.093 10.995 ( -1.226 -4.861 -1.422) 5.211 11.651 ( -2.209 -5.558 5.656) 8.232 11.802 ( -0.360 -0.541 -3.055) 3.123 12.109 ( -0.101 -1.335 -0.864) 1.593 12.167 ( -2.042 -2.766 0.042) 3.439 12.662 ( -1.048 -5.877 7.202) 9.355 12.824 ( -0.153 -2.637 -1.726) 3.155 13.373 ( -1.739 13.083 6.315) 14.631 13.647 ( 5.721 11.078 -12.777) 17.852 15.818 ( 2.351 0.551 4.645) 5.235 16.025 ( -2.545 2.537 -2.685) 4.486 26.623 ( 0.362 -0.821 0.591) 1.075 26.645 ( 0.352 -1.171 -0.123) 1.229 26.738 ( -0.234 2.239 0.308) 2.272 26.769 ( -0.349 1.691 -0.621) 1.835 ======================= Grid point 432 (221/251) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 7.755 2.423 6.112) 10.166 2.361 ( -6.181 -7.646 -17.219) 19.828 2.627 ( 4.135 1.726 4.781) 6.553 2.887 ( -6.084 -2.356 -7.854) 10.210 3.368 ( 7.426 5.625 0.810) 9.351 3.375 ( 0.438 2.098 1.990) 2.924 3.616 ( 1.196 -6.222 -0.223) 6.340 3.853 ( -5.482 -1.716 -8.252) 10.054 4.761 ( 3.933 -2.339 6.156) 7.671 5.066 ( -7.442 1.009 -5.882) 9.539 5.132 ( 10.598 8.896 7.431) 15.706 5.412 ( -5.347 1.949 -1.018) 5.781 5.770 ( 12.612 0.173 2.205) 12.805 6.004 ( -9.991 0.972 0.820) 10.072 6.280 ( -0.202 -2.562 2.178) 3.368 6.389 ( -2.129 -4.420 -4.118) 6.405 7.015 ( -5.591 -0.727 6.973) 8.967 7.075 ( 3.675 -2.700 -1.458) 4.788 7.477 ( -5.685 2.191 1.148) 6.200 7.506 ( 0.898 2.442 -4.304) 5.030 7.721 ( 7.544 2.684 0.623) 8.031 7.844 ( -1.575 1.716 -2.266) 3.249 8.509 ( -0.673 -1.409 3.757) 4.069 8.581 ( -0.174 0.558 -1.952) 2.038 10.404 ( 0.298 1.876 4.122) 4.539 10.543 ( -2.401 2.768 -4.363) 5.697 10.932 ( 0.570 0.825 3.928) 4.055 11.052 ( 0.716 -1.599 -4.613) 4.935 11.747 ( -0.709 -5.033 4.605) 6.859 11.828 ( 1.175 -2.814 -1.863) 3.574 12.136 ( -1.340 -1.255 3.337) 3.809 12.224 ( 1.043 -3.896 -3.553) 5.375 12.776 ( -1.882 -2.254 6.190) 6.851 12.802 ( -2.671 2.711 6.079) 7.172 13.262 ( 1.023 -0.911 0.424) 1.434 13.466 ( 4.451 6.904 -13.839) 16.094 15.842 ( -1.760 -0.830 6.379) 6.670 15.981 ( 1.267 0.075 -5.548) 5.691 26.632 ( 0.332 0.576 0.095) 0.672 26.644 ( -0.458 1.330 -0.297) 1.438 26.728 ( 0.341 -0.964 0.821) 1.312 26.753 ( -0.225 -0.607 -0.577) 0.867 ======================= Grid point 433 (222/251) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 6.168 -1.161 18.112) 19.169 2.392 ( -4.854 -7.829 -23.634) 25.366 2.617 ( 1.534 4.785 10.600) 11.731 2.848 ( -2.015 -0.582 -12.126) 12.306 3.303 ( 3.350 3.682 0.620) 5.016 3.342 ( 4.314 4.725 -2.902) 7.026 3.753 ( 1.695 -6.829 1.764) 7.254 3.841 ( -2.971 -2.733 -5.502) 6.824 4.839 ( 4.842 1.282 5.267) 7.269 4.931 ( -6.162 5.788 -2.328) 8.769 5.085 ( 10.185 8.030 7.386) 14.925 5.233 ( -10.082 7.711 -6.094) 14.080 5.868 ( 6.738 1.077 3.004) 7.456 5.907 ( -3.989 2.044 -0.793) 4.552 6.297 ( -2.643 1.086 5.033) 5.787 6.400 ( -2.409 -0.634 -4.867) 5.467 7.007 ( -5.449 -0.294 7.583) 9.342 7.143 ( 7.445 -1.521 -5.399) 9.321 7.408 ( -6.325 1.094 3.843) 7.481 7.472 ( 2.158 1.250 -2.514) 3.541 7.751 ( 1.017 -0.872 0.040) 1.341 7.801 ( 1.644 0.299 -4.590) 4.884 8.526 ( -4.081 -0.606 3.753) 5.577 8.578 ( 4.201 0.382 -1.643) 4.527 10.362 ( -3.666 2.978 5.211) 7.033 10.475 ( 3.814 3.702 -5.686) 7.783 10.896 ( -1.832 4.347 5.738) 7.428 11.014 ( 0.893 3.978 -5.703) 7.011 11.856 ( -0.774 -5.656 3.324) 6.606 11.902 ( 1.439 -4.860 -1.335) 5.241 12.143 ( -0.022 2.009 5.735) 6.077 12.256 ( 0.441 -0.011 -4.963) 4.983 12.661 ( -5.899 6.930 10.355) 13.786 12.822 ( 1.584 2.228 -2.990) 4.051 13.377 ( 0.166 -9.985 -0.806) 10.019 13.463 ( 5.008 -7.768 -8.820) 12.775 15.861 ( -7.592 -2.742 7.760) 11.197 16.008 ( 5.763 -2.230 -6.573) 9.022 26.607 ( -0.231 1.905 0.104) 1.922 26.612 ( 0.102 1.591 -0.346) 1.631 26.766 ( 0.109 -2.413 0.849) 2.561 26.780 ( -0.029 -2.402 -0.590) 2.474 ======================= Grid point 434 (223/251) ======================= q-point: (-0.10 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 3.641 -3.768 25.953) 26.477 2.385 ( -5.628 -4.701 -22.854) 24.002 2.567 ( 1.528 5.880 13.343) 14.661 2.792 ( 2.482 1.737 -16.723) 16.995 3.275 ( 0.592 3.060 -4.388) 5.382 3.323 ( 6.331 -2.326 -3.738) 7.711 3.821 ( -3.937 1.021 0.852) 4.155 3.883 ( 2.788 -3.812 -0.470) 4.746 4.712 ( -3.552 13.488 1.254) 14.004 4.777 ( 3.991 12.410 0.813) 13.062 4.982 ( -10.589 2.883 -1.170) 11.037 5.138 ( 11.540 1.783 2.357) 11.913 5.803 ( -7.945 1.084 -0.670) 8.047 5.919 ( 7.129 2.286 -0.082) 7.487 6.231 ( -5.649 4.773 6.995) 10.179 6.354 ( -0.071 2.686 -4.121) 4.920 6.984 ( -7.236 0.238 7.163) 10.185 7.206 ( 6.812 0.050 -4.843) 8.358 7.368 ( -2.723 -0.201 4.121) 4.943 7.479 ( 4.249 0.263 -0.960) 4.364 7.753 ( -4.530 -3.410 -2.134) 6.058 7.858 ( 6.153 -3.050 -3.667) 7.785 8.498 ( -5.655 0.096 2.049) 6.015 8.617 ( 6.076 -0.421 -1.522) 6.278 10.287 ( -3.619 3.589 3.723) 6.312 10.422 ( 6.222 4.850 -4.477) 9.071 10.789 ( -4.145 6.651 5.432) 9.536 10.916 ( 3.295 6.338 -4.280) 8.327 11.945 ( -3.857 -5.225 1.289) 6.621 11.993 ( -0.212 -3.334 -0.922) 3.466 12.106 ( 0.992 4.333 7.567) 8.776 12.200 ( -0.352 2.587 -7.354) 7.804 12.554 ( -6.070 2.983 8.674) 10.999 12.746 ( 3.466 5.362 -6.616) 9.194 13.621 ( 1.258 -15.859 -0.744) 15.927 13.671 ( 4.444 -11.491 -3.908) 12.925 15.873 ( -11.017 -3.760 7.645) 13.927 16.101 ( 6.900 -4.490 -4.457) 9.362 26.576 ( -0.002 1.480 0.370) 1.526 26.583 ( 0.147 1.516 -0.402) 1.576 26.816 ( 0.037 -2.741 0.766) 2.846 26.824 ( -0.152 -2.627 -0.640) 2.708 ======================= Grid point 438 (224/251) ======================= q-point: ( 0.30 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -4.635 -0.000 -8.801) 9.947 2.226 ( 1.712 0.000 -16.822) 16.909 2.750 ( -9.253 -0.000 7.063) 11.641 2.840 ( -10.156 -0.000 14.046) 17.333 2.962 ( 8.297 0.000 -2.060) 8.549 3.222 ( -2.277 -0.000 6.459) 6.849 3.703 ( 16.301 0.000 -14.542) 21.845 4.000 ( -2.189 -0.000 -9.552) 9.799 4.336 ( 2.344 0.000 -5.073) 5.588 4.548 ( 11.863 0.000 9.558) 15.234 4.947 ( 1.446 0.000 3.443) 3.734 5.475 ( -11.166 -0.000 5.524) 12.458 5.536 ( -10.343 -0.000 0.107) 10.344 5.686 ( 10.274 0.000 3.420) 10.828 5.945 ( -3.428 -0.000 -1.117) 3.606 6.152 ( 2.407 0.000 -4.126) 4.777 6.753 ( -2.867 -0.000 4.627) 5.443 6.969 ( -7.019 -0.000 6.883) 9.830 7.785 ( 4.793 0.000 4.553) 6.611 7.832 ( 1.511 0.000 4.648) 4.887 8.053 ( 7.037 0.000 0.152) 7.039 8.155 ( 6.732 0.000 -11.403) 13.242 8.233 ( -3.193 -0.000 -0.341) 3.211 8.684 ( -3.713 -0.000 -2.302) 4.369 10.279 ( 6.872 0.000 -2.640) 7.361 10.355 ( 7.455 0.000 1.864) 7.684 10.683 ( 1.205 0.000 2.565) 2.834 10.714 ( 1.181 0.000 -2.337) 2.619 11.389 ( -8.268 -0.000 -3.402) 8.940 11.907 ( -8.035 -0.000 -1.073) 8.107 12.255 ( 2.483 0.000 1.958) 3.163 12.275 ( -2.048 -0.000 1.699) 2.661 12.418 ( -1.499 -0.000 -2.008) 2.506 12.531 ( 0.845 0.000 -0.414) 0.941 14.114 ( 4.048 0.000 -3.220) 5.173 14.181 ( -1.893 -0.000 -1.004) 2.143 15.785 ( 0.935 0.000 7.034) 7.096 16.382 ( -7.542 -0.000 4.964) 9.029 26.564 ( 0.988 0.000 0.875) 1.320 26.575 ( 0.751 0.000 0.990) 1.242 26.882 ( -0.216 -0.000 -0.931) 0.956 26.900 ( -1.003 -0.000 -0.021) 1.003 ======================= Grid point 439 (225/251) ======================= q-point: ( 0.40 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -0.636 -0.138 -7.312) 7.341 2.238 ( -1.149 -5.024 -12.494) 13.516 2.614 ( -6.227 4.325 1.002) 7.648 2.883 ( -12.615 -8.600 5.163) 16.117 3.023 ( 5.715 3.181 3.341) 7.344 3.249 ( 0.479 -2.061 5.273) 5.682 3.824 ( 10.690 3.226 -6.007) 12.679 3.924 ( 8.575 -3.984 -11.655) 15.008 4.321 ( -4.163 1.800 3.780) 5.904 4.711 ( 4.131 -6.695 -1.493) 8.008 5.012 ( 7.231 -3.431 6.308) 10.191 5.349 ( -5.834 2.400 0.200) 6.312 5.605 ( -9.166 -9.578 1.966) 13.402 5.767 ( 1.255 -2.320 2.014) 3.318 5.943 ( 0.717 -2.031 0.230) 2.167 6.157 ( 1.568 -0.188 -3.052) 3.436 6.771 ( -0.900 -1.971 4.417) 4.920 6.947 ( -6.360 -1.116 5.919) 8.759 7.761 ( 0.809 4.690 3.739) 6.053 7.889 ( 0.597 -1.200 4.338) 4.541 8.027 ( 3.631 8.739 -5.972) 11.190 8.077 ( 8.509 5.008 -0.480) 9.885 8.304 ( 0.387 -4.819 -2.588) 5.484 8.642 ( -4.751 -0.307 -3.373) 5.834 10.315 ( 7.711 0.510 -1.199) 7.821 10.486 ( 6.973 -5.883 0.927) 9.170 10.676 ( 0.399 0.229 -0.564) 0.728 10.756 ( -2.994 -3.718 -1.017) 4.881 11.357 ( -4.280 -2.795 0.895) 5.189 11.839 ( -8.668 -0.719 -3.015) 9.206 12.226 ( -0.680 2.303 -1.763) 2.979 12.233 ( -0.228 5.129 4.524) 6.843 12.448 ( 0.704 -3.447 -0.138) 3.520 12.569 ( 0.274 -3.663 -1.066) 3.825 14.089 ( -0.183 6.174 -0.487) 6.196 14.106 ( 1.384 4.897 -2.518) 5.678 15.826 ( 5.102 0.634 5.377) 7.439 16.297 ( -8.770 3.416 3.576) 10.068 26.578 ( 0.871 -0.287 0.958) 1.326 26.588 ( 0.766 -0.371 0.851) 1.204 26.866 ( -0.223 1.271 -0.837) 1.538 26.881 ( -0.967 1.109 -0.206) 1.486 ======================= Grid point 440 (226/251) ======================= q-point: ( 0.50 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 2.794 -0.505 -5.740) 6.404 2.246 ( -8.653 -3.163 -6.394) 11.214 2.565 ( 5.364 -0.051 -4.995) 7.330 2.914 ( -12.348 -0.731 -3.267) 12.794 3.013 ( -3.480 -5.046 9.686) 11.463 3.321 ( 4.271 -3.066 -6.098) 8.052 3.739 ( 7.891 7.341 0.647) 10.797 4.085 ( -0.916 0.970 -2.776) 3.080 4.336 ( 7.738 -7.904 5.952) 12.561 4.843 ( -3.263 -9.174 -4.114) 10.571 5.185 ( 10.431 -3.970 3.497) 11.696 5.302 ( -0.761 -0.011 -1.368) 1.566 5.688 ( -5.305 -5.249 0.275) 7.468 5.824 ( -7.971 -7.158 1.378) 10.802 6.026 ( 3.800 -4.056 1.504) 5.758 6.170 ( -0.103 -1.610 -1.268) 2.052 6.835 ( 0.777 -3.396 3.844) 5.188 6.950 ( -5.097 -2.233 4.464) 7.134 7.683 ( -1.483 4.905 3.374) 6.136 7.815 ( -0.289 7.524 -5.874) 9.550 7.956 ( 4.587 3.641 3.481) 6.813 8.033 ( 7.478 6.735 0.337) 10.069 8.371 ( -0.208 -3.409 -0.320) 3.430 8.600 ( -4.441 -0.711 -5.001) 6.725 10.378 ( 7.717 -0.678 -0.077) 7.747 10.636 ( 1.634 -3.548 -0.022) 3.906 10.679 ( -0.197 -3.045 -1.316) 3.323 10.791 ( -4.602 -5.066 -1.222) 6.953 11.430 ( -0.184 -5.557 5.463) 7.795 11.783 ( -6.038 -1.219 -4.661) 7.724 12.156 ( -2.907 3.127 3.759) 5.689 12.167 ( 0.714 3.309 -2.280) 4.081 12.519 ( 1.306 -2.924 2.927) 4.338 12.649 ( 0.104 -5.415 -2.693) 6.048 13.900 ( -3.800 12.364 5.128) 13.915 14.011 ( 4.892 7.821 -7.427) 11.843 15.870 ( 6.633 1.731 4.110) 7.993 16.165 ( -7.478 4.425 0.994) 8.746 26.594 ( 0.521 -0.535 0.964) 1.219 26.606 ( 0.776 -0.736 0.402) 1.143 26.829 ( -0.368 2.223 -0.338) 2.279 26.846 ( -0.596 1.920 -0.545) 2.083 ======================= Grid point 441 (227/251) ======================= q-point: (-0.40 -0.70 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 4.508 0.580 -2.550) 5.212 2.192 ( -8.118 -1.905 -8.886) 12.185 2.631 ( 9.699 -0.869 -2.218) 9.988 2.791 ( -14.488 -0.562 0.037) 14.498 3.162 ( -3.117 -10.278 3.493) 11.294 3.377 ( 4.574 -3.232 -12.709) 13.888 3.698 ( 9.420 7.259 7.046) 13.824 3.954 ( -5.516 5.742 -2.606) 8.378 4.607 ( 7.222 -8.262 7.896) 13.520 4.948 ( -5.523 -7.787 -6.589) 11.600 5.292 ( 6.279 0.421 2.190) 6.663 5.340 ( 2.766 -3.158 0.528) 4.232 5.743 ( 2.228 -3.281 -0.199) 3.971 5.884 ( -11.285 -6.791 0.561) 13.183 6.137 ( 2.957 -4.274 1.608) 5.440 6.209 ( -1.966 -4.038 -0.503) 4.519 6.920 ( -0.621 -3.753 4.512) 5.902 6.979 ( -0.394 -2.772 1.115) 3.013 7.589 ( -3.841 4.420 3.229) 6.687 7.669 ( 1.211 6.478 -5.552) 8.618 7.913 ( 4.967 6.251 1.958) 8.221 7.966 ( 2.942 5.468 -0.064) 6.210 8.428 ( -0.779 -2.947 2.748) 4.104 8.569 ( -2.848 -1.149 -5.112) 5.964 10.440 ( 4.345 0.228 2.610) 5.073 10.601 ( -4.721 0.645 -3.449) 5.882 10.811 ( 3.315 -6.482 0.163) 7.282 10.868 ( -2.530 -6.631 -0.874) 7.151 11.560 ( 0.489 -5.654 7.130) 9.113 11.761 ( -2.143 -1.783 -5.082) 5.796 12.109 ( -3.551 0.398 2.364) 4.284 12.121 ( 1.217 1.227 -1.738) 2.451 12.599 ( 0.616 -3.723 5.284) 6.493 12.736 ( 0.378 -5.260 -4.196) 6.740 13.643 ( -3.592 14.904 8.084) 17.332 13.850 ( 4.785 10.910 -10.727) 16.031 15.888 ( 3.702 2.768 4.943) 6.767 16.047 ( -3.238 3.236 -2.680) 5.304 26.613 ( 0.291 -0.845 0.849) 1.233 26.628 ( 0.480 -1.009 -0.121) 1.124 26.782 ( -0.257 2.574 0.280) 2.602 26.802 ( -0.340 2.285 -0.781) 2.439 ======================= Grid point 442 (228/251) ======================= q-point: (-0.30 -0.70 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 4.815 0.647 2.415) 5.426 2.148 ( -4.425 -3.229 -13.160) 14.255 2.678 ( -2.232 -0.028 3.900) 4.493 2.765 ( -0.727 -3.923 -3.314) 5.187 3.325 ( -1.032 -8.142 0.777) 8.244 3.422 ( 1.964 -2.054 -8.544) 9.005 3.661 ( 7.675 6.000 7.030) 12.014 3.815 ( -1.552 4.197 -8.187) 9.330 4.777 ( 4.022 -3.561 9.588) 10.990 4.968 ( -6.263 -2.597 -8.412) 10.804 5.330 ( 6.832 2.562 4.366) 8.503 5.382 ( -4.285 -0.781 -0.564) 4.392 5.843 ( -0.329 -3.510 2.962) 4.604 5.896 ( -0.853 -2.810 -2.003) 3.555 6.223 ( -1.450 -3.766 3.364) 5.254 6.276 ( -1.045 -4.819 -1.855) 5.269 6.970 ( -3.658 -2.299 5.572) 7.050 7.060 ( 6.589 -3.133 -2.812) 7.819 7.488 ( -6.064 3.705 3.723) 8.023 7.568 ( 1.919 4.342 -3.970) 6.188 7.842 ( 1.293 5.157 1.179) 5.445 7.885 ( 2.371 4.590 -2.927) 5.938 8.479 ( -1.877 -2.190 4.702) 5.516 8.565 ( -0.080 -1.376 -3.715) 3.962 10.438 ( -4.407 1.444 6.033) 7.609 10.565 ( 4.115 1.199 -6.258) 7.585 10.912 ( -2.512 -3.531 3.133) 5.347 10.981 ( 2.276 -5.889 -3.391) 7.167 11.673 ( -0.191 -4.459 6.114) 7.570 11.776 ( 0.014 -2.434 -3.935) 4.627 12.104 ( -2.454 -1.711 2.186) 3.705 12.144 ( 1.249 -3.211 -1.650) 3.820 12.695 ( -1.130 -4.741 6.671) 8.262 12.808 ( 0.478 -3.258 -3.062) 4.497 13.395 ( -1.877 12.166 8.278) 14.835 13.633 ( 4.106 11.953 -13.891) 18.781 15.859 ( -3.596 2.424 7.056) 8.282 15.994 ( 3.834 1.348 -6.050) 7.288 26.633 ( 0.285 -0.768 0.613) 1.023 26.645 ( -0.113 -0.609 -0.511) 0.803 26.742 ( 0.064 1.764 0.822) 1.948 26.759 ( -0.203 1.665 -0.851) 1.881 ======================= Grid point 443 (229/251) ======================= q-point: (-0.20 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 2.550 -2.249 6.363) 7.214 2.152 ( -0.232 -4.514 -14.567) 15.252 2.669 ( -5.701 -1.060 3.634) 6.843 2.819 ( 5.787 -0.167 -3.264) 6.646 3.374 ( -1.248 3.652 -1.401) 4.106 3.430 ( 1.400 -1.875 -3.790) 4.454 3.699 ( 6.707 0.439 4.453) 8.062 3.747 ( 0.687 -2.578 -8.820) 9.214 4.873 ( -3.034 -1.718 1.686) 3.873 4.928 ( 2.601 0.256 0.467) 2.655 5.255 ( -9.370 6.659 -2.741) 11.817 5.347 ( 7.968 5.356 4.214) 10.485 5.807 ( -13.341 -1.866 -1.080) 13.514 6.001 ( 12.630 0.658 1.222) 12.706 6.273 ( -4.319 -2.597 4.396) 6.687 6.335 ( -1.130 -2.971 -0.680) 3.251 6.994 ( -2.144 -0.725 5.678) 6.113 7.154 ( 8.280 -2.187 -6.019) 10.467 7.400 ( -5.846 2.070 5.625) 8.373 7.516 ( 2.758 2.239 -2.155) 4.155 7.744 ( -5.539 3.139 -1.614) 6.568 7.848 ( 5.455 2.249 -2.665) 6.474 8.498 ( -3.766 -0.590 4.189) 5.664 8.592 ( 2.926 -1.393 -2.263) 3.953 10.385 ( -5.560 1.788 4.989) 7.681 10.560 ( 7.598 2.727 -5.090) 9.543 10.929 ( -4.555 -0.021 4.356) 6.302 11.045 ( 2.402 -0.410 -4.082) 4.754 11.769 ( -0.639 -4.347 3.707) 5.749 11.819 ( -0.172 -3.931 -2.207) 4.511 12.141 ( -1.378 -2.511 3.892) 4.832 12.215 ( 1.282 -3.319 -3.797) 5.203 12.776 ( -3.445 0.508 6.097) 7.022 12.805 ( -2.157 0.370 5.764) 6.166 13.297 ( 2.433 0.355 0.821) 2.593 13.437 ( 4.499 5.515 -14.613) 16.254 15.813 ( -6.578 0.627 7.201) 9.773 16.006 ( 5.702 -0.552 -5.945) 8.256 26.635 ( -0.375 1.207 -0.258) 1.290 26.639 ( 0.448 0.860 0.191) 0.988 26.735 ( -0.343 -0.872 0.591) 1.108 26.747 ( 0.266 -0.816 -0.496) 0.991 ======================= Grid point 444 (230/251) ======================= q-point: (-0.10 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -3.521 -7.199 -9.026) 12.070 2.207 ( 4.808 -1.901 4.934) 7.147 2.643 ( -3.207 0.605 0.078) 3.265 2.839 ( 6.528 2.550 0.189) 7.011 3.297 ( -0.438 2.021 -6.286) 6.617 3.401 ( 5.168 4.775 -6.025) 9.263 3.744 ( -3.549 -4.491 -2.481) 6.239 3.844 ( 5.451 -3.147 3.091) 7.012 4.821 ( -3.966 2.362 -2.774) 5.386 4.978 ( -2.802 3.582 1.520) 4.795 4.987 ( -2.699 9.634 -1.246) 10.082 5.325 ( 10.119 6.025 5.687) 13.078 5.727 ( -11.302 -0.943 -2.557) 11.626 6.040 ( 8.435 4.134 -0.563) 9.410 6.268 ( -4.822 1.254 5.866) 7.696 6.356 ( -1.817 -0.528 0.935) 2.110 6.990 ( -2.393 1.649 5.840) 6.523 7.219 ( 3.716 -1.277 -5.442) 6.712 7.375 ( 0.744 0.160 4.912) 4.971 7.518 ( 4.332 0.454 -0.203) 4.361 7.662 ( -5.572 -0.732 -2.850) 6.301 7.858 ( 3.497 -0.271 -2.625) 4.381 8.476 ( -3.994 0.661 2.662) 4.845 8.637 ( 4.036 -1.261 -2.132) 4.735 10.325 ( -3.501 2.475 3.544) 5.562 10.546 ( 8.082 4.121 -3.836) 9.849 10.868 ( -4.878 4.026 3.590) 7.273 11.022 ( 2.635 3.484 -2.280) 4.928 11.826 ( -4.397 -3.848 0.712) 5.887 11.903 ( -0.468 -5.205 -0.979) 5.317 12.176 ( -0.661 0.037 5.245) 5.287 12.216 ( -0.580 1.794 -5.613) 5.921 12.643 ( -5.403 8.047 10.459) 14.260 12.826 ( 0.919 2.009 -1.611) 2.734 13.372 ( 0.771 -9.889 -2.856) 10.322 13.507 ( 7.409 -9.304 -7.848) 14.250 15.785 ( -7.548 -0.892 7.460) 10.649 16.063 ( 5.083 -3.077 -4.573) 7.499 26.606 ( -0.076 1.634 0.193) 1.648 26.615 ( 0.462 1.838 -0.068) 1.896 26.767 ( -0.484 -2.618 0.138) 2.666 26.778 ( 0.184 -2.203 -0.183) 2.218 ======================= Grid point 449 (231/251) ======================= q-point: ( 0.40 0.40 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -1.959 -0.000 -1.781) 2.648 2.150 ( 1.669 0.000 -14.877) 14.970 2.615 ( -10.015 -0.000 5.239) 11.303 2.698 ( -8.689 -0.000 0.358) 8.696 3.166 ( 12.104 0.000 3.528) 12.608 3.231 ( -4.939 -0.000 8.702) 10.006 3.887 ( -6.935 -0.000 -1.815) 7.168 3.905 ( 19.225 0.000 -14.015) 23.791 4.345 ( 4.142 0.000 -2.509) 4.842 4.653 ( -5.916 -0.000 2.695) 6.500 5.061 ( 10.252 0.000 4.169) 11.067 5.347 ( -8.369 -0.000 1.757) 8.551 5.427 ( -2.691 -0.000 1.462) 3.062 5.740 ( -4.765 -0.000 -2.147) 5.226 5.954 ( 4.914 0.000 2.811) 5.661 6.157 ( 0.718 0.000 -3.055) 3.138 6.771 ( 1.683 0.000 3.785) 4.143 6.909 ( -5.441 -0.000 4.443) 7.024 7.857 ( -1.650 -0.000 5.298) 5.549 7.865 ( 2.026 0.000 3.274) 3.850 8.133 ( 0.647 0.000 -1.653) 1.775 8.180 ( 5.670 0.000 -10.332) 11.785 8.238 ( 4.418 0.000 3.852) 5.862 8.583 ( -6.436 -0.000 -3.065) 7.128 10.386 ( 8.246 0.000 -1.455) 8.374 10.488 ( 7.120 0.000 1.900) 7.369 10.662 ( -4.524 -0.000 -1.426) 4.743 10.698 ( -1.638 -0.000 -1.686) 2.350 11.323 ( 0.682 0.000 3.117) 3.191 11.741 ( -10.012 -0.000 -4.056) 10.802 12.243 ( 0.228 0.000 -0.110) 0.253 12.350 ( 3.184 0.000 5.232) 6.125 12.358 ( -3.674 -0.000 -1.851) 4.114 12.539 ( 0.737 0.000 -2.184) 2.305 14.135 ( -4.429 -0.000 2.840) 5.261 14.153 ( 4.094 0.000 -4.330) 5.959 15.906 ( 9.168 0.000 3.803) 9.926 16.261 ( -10.779 -0.000 3.293) 11.271 26.586 ( 0.881 0.000 0.953) 1.298 26.593 ( 0.613 0.000 0.845) 1.044 26.874 ( 0.041 0.000 -0.918) 0.919 26.882 ( -1.157 -0.000 -0.163) 1.168 ======================= Grid point 450 (232/251) ======================= q-point: (-0.50 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -2.506 -1.648 1.870) 3.535 2.124 ( -3.153 -1.777 -10.426) 11.037 2.575 ( 0.721 -0.876 1.521) 1.898 2.706 ( -7.944 -5.944 -1.952) 10.112 3.102 ( -3.568 7.811 9.853) 13.070 3.307 ( 7.560 -1.445 -5.194) 9.285 3.840 ( -3.006 -0.624 3.620) 4.747 4.046 ( 7.202 -4.094 -10.401) 13.297 4.354 ( 7.439 1.306 5.844) 9.550 4.644 ( -8.729 -6.086 -3.358) 11.159 5.199 ( 10.789 -3.785 0.655) 11.452 5.289 ( -3.037 -0.222 -0.402) 3.071 5.508 ( -2.669 -7.026 4.207) 8.613 5.700 ( -6.172 -2.405 -3.596) 7.537 6.021 ( 4.703 -1.651 3.348) 6.005 6.146 ( -1.314 -0.163 -2.229) 2.592 6.819 ( 3.457 -1.487 3.085) 4.866 6.895 ( -3.566 -1.387 2.323) 4.476 7.785 ( -1.097 5.717 4.935) 7.631 7.892 ( -0.417 2.579 -1.335) 2.934 8.056 ( 0.743 3.928 1.843) 4.402 8.183 ( 5.157 2.948 -5.177) 7.880 8.317 ( 3.029 -2.419 2.454) 4.588 8.526 ( -6.274 -0.824 -4.297) 7.649 10.441 ( 8.250 0.360 0.077) 8.258 10.587 ( 0.946 -4.695 1.309) 4.965 10.615 ( -3.333 0.190 -2.447) 4.139 10.694 ( -2.533 -2.343 -1.694) 3.844 11.389 ( 4.578 -2.978 5.832) 7.990 11.670 ( -8.564 -2.329 -5.274) 10.324 12.223 ( 0.453 3.049 0.394) 3.108 12.236 ( -1.469 5.513 1.344) 5.862 12.470 ( 1.390 -4.860 1.734) 5.344 12.559 ( -0.149 -3.067 -2.507) 3.964 14.052 ( -4.778 6.416 4.866) 9.363 14.132 ( 3.780 4.159 -5.272) 7.706 15.983 ( 10.747 1.799 2.530) 11.187 16.163 ( -9.707 2.284 1.295) 10.055 26.596 ( 0.504 -0.105 0.894) 1.032 26.603 ( 0.587 -0.374 0.418) 0.811 26.858 ( -0.352 1.340 -0.236) 1.405 26.866 ( -0.454 0.930 -0.601) 1.197 ======================= Grid point 451 (233/251) ======================= q-point: (-0.40 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -8.113 -2.131 6.214) 10.439 2.108 ( 1.332 -1.962 -9.527) 9.818 2.625 ( -6.406 -2.508 2.615) 7.359 2.726 ( 4.309 -0.516 -6.345) 7.687 3.033 ( -4.282 -2.118 12.236) 13.135 3.342 ( 8.214 -0.424 -15.323) 17.391 3.879 ( 5.176 1.248 6.844) 8.671 3.989 ( -6.413 4.249 -3.488) 8.447 4.539 ( 8.266 -7.639 7.917) 13.761 4.705 ( -7.604 -10.176 -7.278) 14.640 5.300 ( 0.095 -2.418 -0.657) 2.508 5.308 ( 1.503 -2.030 -1.031) 2.728 5.638 ( -1.078 -6.618 5.411) 8.616 5.734 ( 0.515 -5.826 -3.890) 7.024 6.105 ( 3.374 -3.062 2.309) 5.108 6.135 ( -3.542 -1.603 -0.886) 3.987 6.877 ( -1.071 -2.054 4.014) 4.635 6.938 ( 4.411 -3.226 -1.745) 5.737 7.676 ( -3.020 6.549 5.469) 9.051 7.778 ( -0.034 6.779 -4.488) 8.130 8.019 ( -0.167 3.608 4.021) 5.405 8.115 ( 3.528 6.117 -4.552) 8.402 8.386 ( 1.261 -2.248 4.523) 5.206 8.493 ( -4.067 -2.121 -5.316) 7.022 10.478 ( -2.490 0.886 3.825) 4.649 10.565 ( 1.310 -0.900 -4.804) 5.059 10.713 ( 1.288 -6.103 1.188) 6.350 10.741 ( -1.081 -5.003 -1.570) 5.353 11.519 ( 5.023 -3.990 7.297) 9.715 11.658 ( -4.685 -4.293 -6.311) 8.955 12.129 ( -3.227 4.124 3.151) 6.111 12.178 ( 2.220 3.357 -1.484) 4.290 12.560 ( 1.254 -3.424 2.818) 4.609 12.627 ( -0.116 -5.327 -3.640) 6.452 13.874 ( -4.725 11.217 7.342) 14.214 14.026 ( 3.363 8.398 -7.481) 11.739 15.996 ( 0.339 4.392 4.185) 6.076 16.073 ( 2.147 2.343 -3.201) 4.511 26.605 ( 0.120 -0.427 0.795) 0.910 26.616 ( 0.364 -0.592 -0.212) 0.726 26.824 ( -0.372 2.081 0.386) 2.149 26.836 ( 0.025 1.910 -0.768) 2.059 ======================= Grid point 452 (234/251) ======================= q-point: (-0.30 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -12.281 -2.600 3.426) 13.013 2.155 ( 10.614 -0.398 -6.480) 12.442 2.557 ( -14.630 -2.406 2.263) 14.998 2.807 ( 12.295 0.091 1.857) 12.434 3.155 ( -1.841 -8.543 4.853) 9.996 3.373 ( 6.293 -2.281 -13.892) 15.420 3.804 ( -4.683 5.812 -1.402) 7.594 3.926 ( 9.005 5.186 -0.757) 10.419 4.699 ( -7.643 -8.048 4.738) 12.067 4.838 ( 2.152 -7.252 -2.183) 7.873 5.314 ( -5.625 -1.607 0.004) 5.850 5.355 ( -0.120 -3.024 -0.616) 3.088 5.709 ( -5.910 -3.017 2.830) 7.214 5.898 ( 11.995 -6.199 -0.448) 13.510 6.144 ( -4.401 -3.255 0.704) 5.519 6.200 ( 1.967 -4.126 0.547) 4.604 6.919 ( -1.543 -2.737 3.322) 4.572 7.044 ( 8.084 -3.686 -3.968) 9.731 7.547 ( -5.222 6.114 6.284) 10.204 7.655 ( 0.671 5.423 -3.170) 6.318 7.923 ( -3.742 5.978 0.230) 7.056 8.013 ( 3.410 6.116 -4.069) 8.098 8.445 ( -0.871 -1.905 5.649) 6.025 8.507 ( -0.599 -3.129 -3.450) 4.696 10.421 ( -8.391 0.463 3.987) 9.302 10.608 ( 7.527 -0.089 -3.759) 8.414 10.806 ( -3.927 -5.398 0.536) 6.697 10.868 ( 2.917 -7.673 -0.633) 8.233 11.637 ( 2.482 -3.003 6.381) 7.477 11.700 ( -0.454 -4.479 -5.624) 7.204 12.064 ( -3.912 0.919 3.200) 5.137 12.150 ( 3.142 1.222 -1.094) 3.544 12.640 ( 0.094 -3.447 4.496) 5.666 12.714 ( 1.207 -5.686 -5.312) 7.874 13.642 ( -4.178 13.440 9.334) 16.888 13.836 ( 2.627 11.854 -10.452) 16.021 15.904 ( -5.064 3.772 3.409) 7.176 16.058 ( 7.195 3.226 -3.736) 8.725 26.619 ( -0.114 -0.884 0.606) 1.078 26.629 ( -0.008 -0.768 -0.628) 0.992 26.783 ( -0.270 2.341 0.610) 2.434 26.796 ( 0.366 2.387 -0.563) 2.479 ======================= Grid point 453 (235/251) ======================= q-point: (-0.20 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -10.262 -4.881 -4.254) 12.134 2.224 ( 12.746 1.800 -0.121) 12.873 2.548 ( -9.618 -5.668 3.468) 11.690 2.892 ( 9.843 1.180 1.697) 10.058 3.296 ( -2.482 -7.893 0.026) 8.274 3.397 ( 0.002 0.552 -5.090) 5.120 3.708 ( 1.450 0.222 -9.237) 9.353 3.878 ( 10.478 7.468 0.152) 12.868 4.759 ( -8.653 -5.570 -2.633) 10.622 4.964 ( 5.353 -2.902 6.548) 8.942 5.255 ( -8.171 2.563 -2.381) 8.888 5.397 ( -3.410 -3.560 -0.350) 4.942 5.691 ( -5.620 0.356 1.657) 5.870 6.085 ( 10.760 -3.168 1.733) 11.350 6.188 ( -2.477 -4.226 1.863) 5.241 6.277 ( 0.206 -3.126 0.544) 3.180 6.974 ( 0.154 -2.558 3.502) 4.339 7.153 ( 7.952 -2.688 -6.353) 10.527 7.434 ( -4.798 3.927 7.668) 9.861 7.575 ( 0.940 3.341 -1.486) 3.776 7.773 ( -5.315 5.566 -2.626) 8.132 7.930 ( 2.508 4.196 -3.480) 6.001 8.475 ( -2.302 -0.904 4.550) 5.179 8.560 ( 1.367 -2.999 -1.276) 3.534 10.372 ( -5.968 0.180 3.803) 7.079 10.647 ( 7.961 1.233 -3.187) 8.664 10.858 ( -5.789 -4.092 1.939) 7.350 11.006 ( 2.831 -4.750 -1.971) 5.871 11.719 ( 0.958 -3.092 4.154) 5.266 11.753 ( 0.596 -2.652 -3.157) 4.166 12.069 ( -2.978 -3.683 2.433) 5.326 12.176 ( 2.782 -1.411 -0.405) 3.146 12.709 ( -2.416 -3.456 5.441) 6.884 12.805 ( 1.733 -3.624 -2.999) 5.013 13.423 ( -1.876 10.262 8.150) 13.238 13.589 ( 2.301 12.379 -13.486) 18.451 15.820 ( -4.596 2.642 4.045) 6.668 16.044 ( 5.400 2.108 -4.145) 7.126 26.636 ( -0.360 -0.536 -0.569) 0.860 26.639 ( -0.003 -0.909 0.337) 0.969 26.743 ( -0.369 1.800 0.182) 1.846 26.760 ( 0.639 1.683 0.026) 1.800 ======================= Grid point 454 (236/251) ======================= q-point: (-0.10 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -5.952 -7.346 -12.871) 15.970 2.298 ( 8.885 0.889 8.239) 12.149 2.590 ( -3.458 -3.033 -0.212) 4.605 2.937 ( 7.464 1.555 1.979) 7.877 3.315 ( -2.886 3.217 -5.417) 6.930 3.401 ( -1.686 -4.872 -2.128) 5.578 3.685 ( 1.447 1.432 -9.492) 9.708 3.897 ( 10.533 0.550 4.372) 11.417 4.769 ( -3.529 -2.848 -3.623) 5.805 5.020 ( -5.819 4.965 -0.028) 7.649 5.112 ( 1.482 3.316 2.810) 4.592 5.422 ( -4.656 -2.615 -0.028) 5.340 5.637 ( -3.057 1.776 0.638) 3.592 6.164 ( 5.098 1.477 0.560) 5.337 6.251 ( 1.474 -1.244 2.000) 2.778 6.321 ( -2.671 -2.271 3.433) 4.906 7.020 ( 0.443 -0.102 4.280) 4.304 7.199 ( 0.856 -0.587 -4.124) 4.253 7.413 ( 3.013 0.155 5.103) 5.928 7.545 ( 1.149 0.321 -0.451) 1.275 7.642 ( -3.673 3.519 -3.119) 5.967 7.879 ( 0.532 1.778 -2.903) 3.446 8.473 ( -2.360 0.535 3.710) 4.430 8.619 ( 1.877 -2.555 -1.872) 3.681 10.341 ( -3.066 0.797 3.166) 4.478 10.665 ( 8.288 2.838 -2.723) 9.174 10.866 ( -5.836 -0.926 2.362) 6.364 11.057 ( 1.394 -0.186 -1.887) 2.353 11.764 ( -1.665 -0.500 1.014) 2.012 11.807 ( -0.266 -4.651 -0.456) 4.681 12.143 ( -1.222 -3.987 2.811) 5.029 12.216 ( 1.361 -0.567 -2.474) 2.880 12.760 ( -3.325 1.018 5.478) 6.489 12.808 ( -2.674 0.119 6.192) 6.746 13.322 ( 0.916 3.989 -3.116) 5.144 13.429 ( 5.919 -0.603 -10.682) 12.227 15.766 ( -4.213 1.306 5.224) 6.837 16.049 ( 3.599 -0.430 -3.971) 5.376 26.629 ( -0.206 0.835 -0.177) 0.878 26.648 ( 0.435 0.799 0.233) 0.939 26.726 ( -0.649 -0.833 -0.150) 1.067 26.753 ( 0.408 -0.522 0.114) 0.672 ======================= Grid point 460 (237/251) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -6.255 -0.000 6.747) 9.201 2.046 ( -5.509 -0.000 -7.235) 9.094 2.573 ( 2.306 0.000 1.799) 2.924 2.626 ( 1.495 0.000 -2.446) 2.867 3.180 ( -8.420 -0.000 8.710) 12.114 3.361 ( 12.333 0.000 -4.116) 13.002 3.755 ( -13.344 -0.000 8.880) 16.028 4.026 ( 7.315 0.000 -13.333) 15.208 4.472 ( -15.330 -0.000 1.550) 15.408 4.491 ( 14.285 0.000 0.349) 14.289 5.234 ( -5.909 -0.000 -1.554) 6.110 5.247 ( 10.542 0.000 -1.858) 10.705 5.495 ( 7.693 0.000 5.650) 9.545 5.601 ( -7.978 -0.000 -4.796) 9.309 6.052 ( 3.121 0.000 3.971) 5.051 6.118 ( -3.271 -0.000 -2.846) 4.336 6.855 ( 6.500 0.000 1.245) 6.618 6.860 ( -2.813 -0.000 0.741) 2.909 7.870 ( -0.865 -0.000 4.805) 4.882 7.904 ( 1.446 0.000 1.293) 1.940 8.083 ( -5.872 -0.000 2.039) 6.216 8.184 ( 2.144 0.000 -7.459) 7.761 8.373 ( 7.847 0.000 3.595) 8.631 8.450 ( -7.049 -0.000 -3.863) 8.038 10.511 ( -8.530 -0.000 0.665) 8.556 10.512 ( 8.073 0.000 0.156) 8.074 10.624 ( 4.753 0.000 -1.112) 4.881 10.636 ( -4.560 -0.000 -1.993) 4.976 11.435 ( 8.340 0.000 6.225) 10.407 11.557 ( -8.612 -0.000 -5.638) 10.293 12.266 ( 1.924 0.000 1.364) 2.358 12.289 ( -3.592 -0.000 -1.027) 3.736 12.428 ( 2.275 0.000 4.477) 5.022 12.518 ( -0.528 -0.000 -4.185) 4.218 14.087 ( -5.112 -0.000 5.259) 7.334 14.180 ( 2.840 0.000 -4.073) 4.965 16.106 ( -9.918 -0.000 0.465) 9.929 16.107 ( 13.878 0.000 0.478) 13.886 26.602 ( 0.411 0.000 0.490) 0.640 26.604 ( 0.238 0.000 0.308) 0.389 26.865 ( -0.863 -0.000 0.097) 0.868 26.872 ( 0.430 0.000 -0.609) 0.745 ======================= Grid point 461 (238/251) ======================= q-point: (-0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -11.043 -0.489 9.976) 14.890 2.022 ( -3.892 -4.587 -2.516) 6.521 2.582 ( -0.145 2.009 -0.469) 2.068 2.718 ( 11.056 -5.212 -3.117) 12.614 3.073 ( -7.331 5.051 11.260) 14.354 3.400 ( 10.980 3.123 -13.460) 17.649 3.792 ( -11.725 -10.523 13.426) 20.700 3.993 ( -3.731 3.236 -7.585) 9.051 4.450 ( -8.013 -8.750 -2.305) 12.087 4.582 ( 11.249 1.514 1.513) 11.450 5.219 ( -3.680 -3.292 -2.503) 5.536 5.306 ( 3.380 0.804 -1.869) 3.945 5.585 ( -0.186 -4.119 -0.540) 4.158 5.626 ( 8.294 -5.635 1.301) 10.111 6.078 ( -4.688 -0.536 -2.168) 5.193 6.094 ( 1.007 -1.370 2.836) 3.307 6.850 ( -1.156 -0.820 0.106) 1.421 6.933 ( 7.823 -1.944 -1.405) 8.182 7.804 ( -1.355 6.859 6.486) 9.536 7.871 ( -0.249 5.103 -3.309) 6.087 8.059 ( -3.445 -0.451 5.199) 6.254 8.157 ( -1.946 1.455 -6.420) 6.865 8.400 ( -5.265 -1.984 -4.764) 7.372 8.432 ( 6.606 1.206 4.756) 8.229 10.435 ( -10.048 0.336 0.589) 10.071 10.579 ( 4.710 -0.885 0.761) 4.853 10.623 ( -2.019 -3.276 -1.695) 4.205 10.679 ( 3.239 -2.414 -0.568) 4.080 11.512 ( -5.665 -3.734 -5.726) 8.878 11.550 ( 9.234 -2.017 6.221) 11.315 12.203 ( -2.720 4.928 1.716) 5.885 12.256 ( 2.389 3.285 0.051) 4.062 12.507 ( 1.065 -4.299 2.314) 4.997 12.530 ( -0.607 -3.396 -3.769) 5.109 14.013 ( -4.996 5.832 6.443) 10.024 14.144 ( 1.839 4.595 -4.315) 6.566 16.016 ( -7.434 1.837 -0.758) 7.695 16.192 ( 13.410 2.954 -1.283) 13.791 26.604 ( -0.089 -0.042 0.329) 0.344 26.609 ( 0.099 -0.316 -0.308) 0.452 26.850 ( -0.553 1.087 0.383) 1.278 26.864 ( 0.627 1.119 -0.383) 1.339 ======================= Grid point 462 (239/251) ======================= q-point: (-0.30 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -12.597 -0.560 9.040) 15.515 2.128 ( 0.385 -7.810 3.828) 8.706 2.491 ( -4.066 4.526 -1.094) 6.182 2.903 ( 14.479 -3.121 0.048) 14.812 3.055 ( -2.058 -3.211 9.706) 10.429 3.372 ( 9.084 1.907 -16.731) 19.133 3.830 ( -8.259 4.869 -5.360) 10.984 3.968 ( -3.925 -9.108 8.480) 13.049 4.492 ( -5.913 -3.197 -7.924) 10.391 4.717 ( 2.303 -8.749 7.260) 11.600 5.262 ( -2.008 -4.382 -3.678) 6.063 5.275 ( -2.852 1.256 0.364) 3.137 5.666 ( 1.769 -2.450 2.223) 3.752 5.849 ( 11.664 -8.839 -0.430) 14.642 6.056 ( -4.464 -2.373 -1.654) 5.319 6.146 ( 0.169 -3.214 1.268) 3.460 6.874 ( 0.050 -2.235 0.145) 2.240 7.035 ( 8.649 -3.076 -3.899) 9.973 7.668 ( -3.815 8.378 8.164) 12.304 7.747 ( -0.869 6.042 -2.915) 6.764 8.003 ( -4.135 5.795 1.281) 7.233 8.077 ( -2.314 2.047 -6.291) 7.009 8.406 ( -2.408 -3.284 -3.262) 5.218 8.480 ( 4.056 0.155 6.534) 7.692 10.359 ( -9.182 -0.368 1.718) 9.349 10.628 ( 1.079 -2.469 0.207) 2.703 10.682 ( -2.123 -4.232 -1.215) 4.888 10.777 ( 5.108 -5.348 0.194) 7.398 11.552 ( -2.369 -6.233 -6.013) 8.979 11.674 ( 7.708 -1.298 5.917) 9.803 12.104 ( -2.572 4.458 3.594) 6.278 12.211 ( 2.966 3.132 -1.347) 4.519 12.593 ( 0.538 -3.715 1.814) 4.169 12.599 ( 0.387 -5.665 -4.033) 6.965 13.852 ( -4.781 10.328 8.086) 13.961 14.013 ( 0.785 9.251 -5.972) 11.039 15.926 ( -4.345 2.517 -1.354) 5.201 16.199 ( 9.899 5.666 -2.094) 11.597 26.606 ( -0.498 -0.453 0.146) 0.689 26.615 ( -0.131 -0.496 -0.710) 0.876 26.821 ( -0.297 1.916 0.497) 2.001 26.840 ( 0.804 2.060 -0.079) 2.212 ======================= Grid point 463 (240/251) ======================= q-point: (-0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -10.891 -1.097 6.081) 12.521 2.311 ( 4.408 -7.720 6.738) 11.155 2.407 ( -1.729 1.468 0.605) 2.348 3.020 ( 11.412 2.202 3.202) 12.055 3.161 ( -0.361 -5.830 1.372) 6.001 3.376 ( 3.610 -0.766 -9.758) 10.433 3.691 ( -2.163 1.386 -9.886) 10.214 4.058 ( 5.149 2.279 0.665) 5.670 4.504 ( -12.211 -9.698 -3.465) 15.974 4.914 ( 0.073 -8.505 8.197) 11.812 5.225 ( -5.454 1.126 -0.575) 5.599 5.295 ( -1.403 -1.876 -2.993) 3.801 5.697 ( -0.554 0.166 1.796) 1.887 6.045 ( -0.326 -5.419 2.598) 6.018 6.123 ( 6.390 -5.597 0.239) 8.497 6.224 ( 2.507 -4.344 -1.979) 5.392 6.931 ( 1.124 -3.392 0.919) 3.689 7.143 ( 7.923 -3.019 -5.627) 10.176 7.519 ( -4.786 6.752 8.573) 11.917 7.640 ( -0.988 4.267 -0.927) 4.477 7.838 ( -5.220 7.119 -2.415) 9.152 7.993 ( -1.169 3.483 -5.822) 6.885 8.444 ( -1.167 -2.777 -0.371) 3.035 8.532 ( 1.709 -0.981 5.628) 5.963 10.323 ( -6.032 -1.462 2.535) 6.704 10.686 ( 3.269 -1.935 -0.371) 3.817 10.728 ( -5.929 -4.923 -0.225) 7.710 10.930 ( 5.392 -6.156 -0.489) 8.198 11.643 ( 0.474 -6.347 -4.710) 7.918 11.748 ( 4.428 0.061 4.360) 6.215 12.038 ( -2.645 1.789 4.571) 5.576 12.196 ( 3.208 0.888 -0.826) 3.429 12.658 ( -0.525 -2.723 2.240) 3.565 12.708 ( 2.258 -6.771 -4.909) 8.663 13.638 ( -4.329 12.235 9.130) 15.868 13.791 ( 0.063 12.748 -8.672) 15.418 15.851 ( -1.911 2.740 -0.662) 3.406 16.145 ( 5.356 5.704 -2.254) 8.142 26.615 ( -0.670 -1.010 -0.189) 1.227 26.622 ( -0.291 -0.784 -0.556) 1.004 26.782 ( -0.113 2.358 0.421) 2.398 26.805 ( 0.820 2.473 0.163) 2.610 ======================= Grid point 464 (241/251) ======================= q-point: (-0.10 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -6.761 -3.466 -0.259) 7.602 2.407 ( 4.876 0.809 2.358) 5.476 2.493 ( 2.546 -6.034 5.167) 8.342 3.039 ( 7.588 3.388 -1.067) 8.378 3.260 ( -2.144 -5.732 0.595) 6.149 3.331 ( -4.037 1.783 -4.760) 6.491 3.690 ( 5.045 -0.698 -10.957) 12.083 4.026 ( 7.242 4.083 -0.214) 8.317 4.608 ( -7.512 -10.490 -1.569) 12.997 5.039 ( -4.162 -0.612 3.437) 5.432 5.141 ( -3.217 0.474 0.768) 3.342 5.305 ( -1.542 -1.635 -0.898) 2.420 5.678 ( -1.031 1.271 0.798) 1.821 6.125 ( -3.011 -4.535 3.624) 6.540 6.254 ( 0.173 -4.125 3.133) 5.183 6.311 ( 9.148 -0.604 -3.997) 10.001 7.008 ( 1.055 -3.035 2.320) 3.963 7.195 ( 1.320 0.507 -2.855) 3.185 7.452 ( 0.820 0.670 4.459) 4.583 7.571 ( -0.723 2.573 0.498) 2.718 7.679 ( -3.705 4.890 -3.116) 6.881 7.907 ( -1.182 2.867 -4.557) 5.512 8.473 ( -0.934 -0.882 2.043) 2.413 8.580 ( 0.444 -1.916 2.069) 2.855 10.324 ( -2.703 -1.242 2.485) 3.876 10.733 ( 2.273 -0.774 -0.776) 2.523 10.771 ( -4.355 -4.345 0.858) 6.212 11.043 ( 3.465 -2.457 -1.901) 4.654 11.732 ( 1.119 -3.730 -2.204) 4.474 11.780 ( 1.901 0.823 2.803) 3.486 12.057 ( -1.324 -4.366 3.953) 6.037 12.214 ( 2.298 -0.385 -0.502) 2.383 12.703 ( -2.396 -2.713 4.634) 5.880 12.813 ( 1.448 -3.242 -2.409) 4.291 13.440 ( -2.397 8.781 6.199) 11.013 13.528 ( 1.148 11.523 -11.557) 16.360 15.794 ( -0.777 2.530 1.264) 2.933 16.083 ( 2.107 3.140 -2.497) 4.532 26.626 ( -0.380 -0.689 -0.623) 1.004 26.638 ( -0.422 -1.405 0.059) 1.468 26.741 ( -0.016 2.167 0.255) 2.183 26.771 ( 0.612 1.821 0.223) 1.934 ======================= Grid point 471 (242/251) ======================= q-point: (-0.40 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -10.476 -0.000 15.607) 18.797 1.907 ( -8.109 -0.000 0.935) 8.163 2.683 ( 9.694 0.000 -0.615) 9.714 2.706 ( 9.986 0.000 -3.826) 10.694 3.111 ( -6.244 -0.000 7.139) 9.484 3.473 ( 7.841 0.000 -12.888) 15.086 3.575 ( -20.407 -0.000 18.056) 27.249 3.997 ( -0.200 -0.000 -9.054) 9.056 4.283 ( -8.798 -0.000 3.320) 9.404 4.696 ( 9.022 0.000 -1.515) 9.148 5.146 ( -2.615 -0.000 -5.174) 5.797 5.381 ( 8.597 0.000 -1.323) 8.698 5.474 ( -2.474 -0.000 -3.233) 4.071 5.684 ( 10.431 0.000 3.384) 10.966 6.019 ( -6.161 -0.000 -3.543) 7.107 6.095 ( -0.759 -0.000 3.342) 3.427 6.834 ( 0.197 0.000 -2.353) 2.362 6.977 ( 8.741 0.000 -2.176) 9.008 7.894 ( 0.372 0.000 2.711) 2.736 7.939 ( 3.015 0.000 -1.212) 3.250 7.988 ( -9.428 -0.000 6.064) 11.210 8.140 ( -2.800 -0.000 -3.319) 4.342 8.317 ( -6.185 -0.000 -4.197) 7.474 8.516 ( 6.839 0.000 3.451) 7.660 10.364 ( -9.472 -0.000 0.685) 9.497 10.527 ( -6.865 -0.000 -1.785) 7.093 10.638 ( 6.559 0.000 0.407) 6.572 10.677 ( 1.455 0.000 0.244) 1.476 11.412 ( -4.254 -0.000 -5.265) 6.769 11.640 ( 11.597 0.000 5.985) 13.050 12.238 ( -2.293 -0.000 0.237) 2.305 12.316 ( 2.505 0.000 2.408) 3.475 12.468 ( -1.355 -0.000 -6.019) 6.170 12.480 ( 0.999 0.000 3.372) 3.517 14.048 ( -4.683 -0.000 6.131) 7.715 14.184 ( 0.303 0.000 -2.231) 2.252 15.974 ( -5.300 -0.000 -2.754) 5.973 16.329 ( 14.596 0.000 -3.042) 14.910 26.602 ( -0.415 -0.000 -0.522) 0.667 26.605 ( -0.172 -0.000 -0.254) 0.307 26.858 ( -0.335 -0.000 0.605) 0.691 26.880 ( 0.909 0.000 -0.083) 0.913 ======================= Grid point 472 (243/251) ======================= q-point: (-0.30 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -10.072 1.847 13.960) 17.312 1.965 ( -6.297 -8.790 10.291) 14.927 2.613 ( 4.343 8.290 -1.772) 9.525 2.910 ( 13.662 -7.566 -1.555) 15.695 3.064 ( -1.269 1.509 6.802) 7.081 3.443 ( 5.863 2.993 -13.787) 15.278 3.632 ( -18.328 -14.425 12.600) 26.510 3.866 ( -6.191 6.824 -4.745) 10.364 4.371 ( -0.682 -9.352 0.176) 9.378 4.692 ( 0.950 2.887 -0.861) 3.159 5.144 ( -2.792 -3.892 -7.015) 8.494 5.337 ( 4.376 4.709 0.888) 6.489 5.613 ( 3.555 -6.972 0.857) 7.873 5.806 ( 10.860 -4.894 -0.818) 11.940 5.973 ( -4.931 -1.708 -3.149) 6.095 6.104 ( -1.883 -1.279 2.339) 3.264 6.843 ( 1.412 -1.336 -2.515) 3.178 7.049 ( 8.634 -1.450 -4.029) 9.638 7.826 ( -4.021 7.890 7.659) 11.709 7.834 ( -1.324 6.134 -1.197) 6.389 8.019 ( -3.275 -2.585 -2.365) 4.796 8.068 ( -4.652 4.062 -1.661) 6.395 8.303 ( -3.599 -4.123 -2.343) 5.953 8.562 ( 5.302 1.513 4.488) 7.109 10.289 ( -8.670 0.181 1.117) 8.743 10.511 ( -6.430 -4.706 -1.375) 8.085 10.658 ( 0.169 0.325 0.619) 0.719 10.741 ( 4.509 -3.944 0.383) 6.003 11.417 ( -0.956 -4.393 -4.534) 6.385 11.756 ( 10.865 -0.264 5.208) 12.051 12.182 ( -1.351 4.194 2.475) 5.054 12.294 ( 2.397 3.997 -0.659) 4.707 12.484 ( -1.051 -4.643 -4.257) 6.386 12.540 ( 0.741 -3.713 1.830) 4.205 13.984 ( -4.246 5.508 6.615) 9.598 14.129 ( -1.110 5.114 -1.829) 5.543 15.923 ( -1.870 1.073 -3.991) 4.536 16.378 ( 11.605 5.058 -4.019) 13.282 26.596 ( -0.794 -0.109 -0.599) 1.001 26.603 ( -0.378 -0.267 -0.722) 0.857 26.849 ( -0.090 1.081 0.760) 1.324 26.877 ( 1.039 1.179 0.122) 1.576 ======================= Grid point 473 (244/251) ======================= q-point: (-0.20 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -8.638 1.317 14.060) 16.554 2.138 ( -6.727 -10.285 15.855) 20.060 2.525 ( 8.589 4.817 -1.576) 9.973 3.094 ( 1.360 -2.670 1.626) 3.410 3.124 ( 11.306 -2.752 0.699) 11.658 3.391 ( 6.058 2.412 -12.984) 14.529 3.665 ( -5.558 2.954 -6.980) 9.399 3.852 ( -16.077 -17.050 8.199) 24.827 4.436 ( 4.620 4.282 -7.612) 9.881 4.734 ( -6.123 -10.472 8.005) 14.533 5.158 ( -4.578 -2.696 -6.740) 8.582 5.331 ( 7.353 2.168 1.888) 7.895 5.672 ( -4.642 -1.179 0.481) 4.813 5.967 ( 0.395 -3.150 1.632) 3.569 6.058 ( 9.008 -8.865 -2.733) 12.931 6.142 ( 0.179 -4.475 -0.830) 4.555 6.887 ( 2.130 -2.721 -1.453) 3.749 7.135 ( 7.708 -2.560 -5.216) 9.652 7.656 ( -6.223 9.611 8.891) 14.497 7.703 ( -3.350 4.824 -0.424) 5.888 7.919 ( -4.727 6.841 -2.986) 8.835 7.995 ( -2.165 0.943 -5.685) 6.156 8.363 ( -1.073 -4.443 -0.628) 4.614 8.583 ( 2.715 1.550 6.143) 6.893 10.250 ( -5.814 -1.932 1.802) 6.386 10.566 ( -5.919 -6.512 -1.010) 8.858 10.663 ( -1.391 -1.676 0.959) 2.380 10.868 ( 4.696 -5.804 -0.161) 7.467 11.510 ( 1.945 -6.821 -3.489) 7.905 11.833 ( 7.544 1.928 4.131) 8.814 12.103 ( -1.136 4.672 4.697) 6.721 12.247 ( 2.852 2.545 -2.123) 4.372 12.572 ( 1.235 -6.900 -5.982) 9.215 12.616 ( -0.005 -3.401 2.209) 4.055 13.835 ( -4.038 9.946 7.519) 13.106 13.971 ( -2.024 10.099 -3.186) 10.781 15.880 ( 1.285 1.840 -4.288) 4.840 16.309 ( 5.639 8.247 -2.948) 10.417 26.592 ( -0.992 -0.594 -0.511) 1.265 26.604 ( -0.471 -0.554 -0.844) 1.114 26.823 ( 0.084 1.979 0.767) 2.124 26.856 ( 0.953 2.157 0.183) 2.365 ======================= Grid point 474 (245/251) ======================= q-point: (-0.10 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -6.165 0.806 12.484) 13.947 2.310 ( -5.430 -8.622 12.336) 16.000 2.568 ( 13.413 1.214 -0.123) 13.468 3.140 ( 3.835 0.370 -11.651) 12.272 3.180 ( 1.801 -0.719 4.872) 5.243 3.319 ( -4.127 3.599 -4.951) 7.383 3.664 ( 7.489 -3.457 -8.788) 12.053 4.038 ( -8.848 -9.801 2.017) 13.358 4.380 ( 0.870 -2.334 -1.842) 3.098 4.925 ( -4.607 -10.054 7.430) 13.323 5.108 ( -5.638 0.957 -5.667) 8.051 5.361 ( 8.741 2.576 1.703) 9.270 5.642 ( -7.077 -1.595 -1.124) 7.341 6.028 ( -2.853 -4.242 2.553) 5.714 6.195 ( 1.243 -4.026 2.780) 5.048 6.308 ( 9.844 -6.629 -5.892) 13.250 6.959 ( 1.751 -3.620 0.276) 4.031 7.206 ( 3.748 -0.700 -3.257) 5.014 7.492 ( -5.167 4.374 4.859) 8.333 7.612 ( -3.146 2.838 1.783) 4.596 7.748 ( -3.072 7.067 -3.421) 8.431 7.929 ( -1.037 2.506 -5.482) 6.117 8.428 ( -0.032 -3.367 -0.639) 3.427 8.592 ( 0.047 1.005 6.144) 6.226 10.273 ( -2.317 -2.997 1.907) 4.241 10.618 ( -7.104 -5.151 -0.812) 8.813 10.717 ( 0.793 -4.030 1.288) 4.304 11.001 ( 3.286 -5.165 -1.673) 6.346 11.654 ( 4.441 -6.636 -1.778) 8.180 11.844 ( 4.328 2.752 3.029) 5.956 12.042 ( -1.622 2.253 5.847) 6.472 12.235 ( 2.622 0.761 -1.281) 3.016 12.665 ( -0.349 -2.019 1.668) 2.642 12.707 ( 2.276 -7.784 -5.868) 10.010 13.629 ( -4.005 11.791 7.605) 14.591 13.726 ( -1.640 13.254 -5.992) 14.637 15.846 ( 2.991 2.552 -3.158) 5.043 16.180 ( 0.391 7.187 -1.369) 7.326 26.600 ( -0.832 -1.231 -0.407) 1.541 26.611 ( -0.505 -0.958 -0.673) 1.275 26.786 ( 0.191 2.469 0.729) 2.582 26.819 ( 0.717 2.595 0.107) 2.694 ======================= Grid point 482 (246/251) ======================= q-point: (-0.30 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -7.242 -0.000 22.755) 23.880 1.832 ( -4.965 -0.000 8.712) 10.028 2.812 ( 1.815 0.000 0.295) 1.839 2.832 ( 8.611 0.000 -0.225) 8.614 3.098 ( 1.738 0.000 -0.304) 1.765 3.373 ( -11.918 -0.000 13.872) 18.289 3.480 ( 1.631 0.000 -12.895) 12.998 3.913 ( -5.424 -0.000 -1.613) 5.658 4.240 ( -1.738 -0.000 5.001) 5.295 4.715 ( -1.803 -0.000 -6.945) 7.176 5.054 ( -3.470 -0.000 -7.741) 8.483 5.497 ( 4.490 0.000 2.288) 5.040 5.528 ( 9.074 0.000 0.863) 9.115 5.808 ( 3.245 0.000 -6.919) 7.643 5.926 ( 0.407 0.000 0.084) 0.416 6.084 ( -2.773 -0.000 2.673) 3.851 6.835 ( 2.489 0.000 -3.460) 4.263 7.088 ( 8.211 0.000 -4.861) 9.542 7.851 ( -8.683 -0.000 0.475) 8.696 7.931 ( -2.640 -0.000 8.235) 8.648 7.951 ( -0.528 -0.000 -6.487) 6.508 8.069 ( -4.162 -0.000 -1.368) 4.381 8.220 ( -2.131 -0.000 0.595) 2.213 8.628 ( 4.237 0.000 3.154) 5.282 10.234 ( -7.857 -0.000 1.698) 8.038 10.400 ( -6.796 -0.000 -2.680) 7.305 10.672 ( -2.742 -0.000 1.688) 3.220 10.712 ( 2.404 0.000 -0.468) 2.449 11.372 ( 2.608 0.000 -1.646) 3.084 11.858 ( 10.867 0.000 3.843) 11.527 12.230 ( 0.831 0.000 1.630) 1.830 12.367 ( 1.191 0.000 2.980) 3.209 12.397 ( -1.624 -0.000 -7.422) 7.598 12.508 ( 0.563 0.000 1.824) 1.909 14.025 ( -3.268 -0.000 5.693) 6.564 14.159 ( -2.781 -0.000 0.803) 2.895 15.914 ( 1.573 0.000 -5.474) 5.695 16.500 ( 10.284 0.000 -6.433) 12.130 26.585 ( -1.049 -0.000 -1.055) 1.488 26.594 ( -0.595 -0.000 -0.815) 1.009 26.862 ( 0.126 0.000 0.974) 0.982 26.897 ( 1.123 0.000 0.198) 1.140 ======================= Grid point 483 (247/251) ======================= q-point: (-0.20 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -4.278 3.631 18.301) 19.142 1.978 ( -4.962 -8.897 19.388) 21.901 2.678 ( 3.259 6.300 2.655) 7.574 3.048 ( 1.713 -7.736 -1.963) 8.162 3.124 ( 7.270 -2.261 -2.352) 7.969 3.393 ( -2.707 -1.820 -6.140) 6.953 3.493 ( -2.203 -7.435 1.336) 7.868 3.750 ( -6.564 8.922 1.826) 11.226 4.391 ( 0.193 -11.821 3.311) 12.278 4.628 ( -4.168 3.198 -6.732) 8.540 5.035 ( -3.848 -3.504 -7.522) 9.147 5.464 ( 6.929 3.901 3.274) 8.600 5.607 ( -4.888 0.079 -1.205) 5.035 5.919 ( 6.656 -9.895 -6.235) 13.457 5.959 ( 4.990 -1.593 0.136) 5.240 6.086 ( -1.687 -1.846 2.457) 3.505 6.861 ( 3.376 -1.592 -2.880) 4.715 7.143 ( 7.372 -1.162 -5.352) 9.184 7.741 ( -7.872 3.593 0.981) 8.709 7.798 ( -9.763 9.157 4.987) 14.284 7.945 ( -1.034 0.434 -4.481) 4.619 7.999 ( -2.653 2.898 -2.509) 4.662 8.283 ( 2.045 -4.222 1.924) 5.071 8.650 ( 2.054 1.496 3.668) 4.462 10.186 ( -5.542 -0.798 1.978) 5.938 10.398 ( -6.046 -5.660 -2.191) 8.566 10.638 ( -2.929 0.276 1.753) 3.425 10.781 ( 0.370 -5.497 -1.087) 5.616 11.437 ( 5.271 -3.606 0.503) 6.406 11.939 ( 8.130 1.082 2.750) 8.650 12.203 ( 1.369 4.519 3.579) 5.925 12.309 ( 1.212 3.388 -4.165) 5.504 12.445 ( -0.557 -5.387 -2.694) 6.048 12.560 ( 0.748 -3.533 1.081) 3.770 13.972 ( -2.458 5.505 5.482) 8.148 14.087 ( -3.782 5.558 1.311) 6.849 15.911 ( 4.824 0.976 -6.077) 7.820 16.478 ( 4.801 6.594 -5.958) 10.101 26.574 ( -1.178 -0.251 -0.870) 1.486 26.589 ( -0.663 -0.310 -0.975) 1.219 26.856 ( 0.270 1.143 1.010) 1.549 26.895 ( 0.966 1.262 0.147) 1.596 ======================= Grid point 484 (248/251) ======================= q-point: (-0.10 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -3.225 3.340 20.216) 20.742 2.161 ( -5.377 -8.791 19.295) 21.875 2.689 ( 10.820 0.935 -0.122) 10.861 3.086 ( 0.618 -1.817 -10.661) 10.832 3.191 ( 0.037 0.440 -7.111) 7.125 3.382 ( 0.522 3.568 -4.911) 6.093 3.649 ( 7.389 -3.527 -3.216) 8.796 3.677 ( -10.755 -14.044 11.546) 21.123 4.468 ( 3.928 5.750 -6.275) 9.374 4.676 ( -6.312 -14.822 6.461) 17.357 5.039 ( -4.001 -2.183 -7.749) 8.990 5.494 ( 6.189 0.242 3.920) 7.330 5.527 ( -7.276 0.893 -3.886) 8.297 5.964 ( -2.064 -1.101 0.924) 2.515 6.145 ( 1.091 -3.966 3.548) 5.432 6.197 ( 9.099 -10.945 -6.867) 15.803 6.921 ( 3.638 -2.611 -1.380) 4.685 7.206 ( 5.478 -1.643 -4.216) 7.105 7.560 ( -11.401 8.117 4.365) 14.660 7.629 ( -7.049 2.707 1.846) 7.773 7.846 ( -0.987 6.523 -3.568) 7.500 7.945 ( -0.385 1.704 -3.924) 4.295 8.374 ( 2.794 -3.165 0.657) 4.273 8.637 ( -0.726 1.913 4.645) 5.076 10.203 ( -1.949 -3.376 1.940) 4.354 10.458 ( -6.092 -6.259 -1.857) 8.929 10.651 ( -1.204 -3.222 2.179) 4.072 10.891 ( -0.719 -7.142 -2.206) 7.510 11.580 ( 7.011 -6.153 2.382) 9.627 11.956 ( 5.231 3.660 2.119) 6.727 12.128 ( -0.508 5.563 5.187) 7.623 12.266 ( 2.061 1.292 -4.125) 4.789 12.557 ( 1.826 -7.844 -5.416) 9.706 12.626 ( 0.113 -2.789 0.866) 2.923 13.829 ( -2.310 10.287 5.598) 11.938 13.913 ( -3.469 10.619 -0.315) 11.176 15.910 ( 6.683 2.102 -5.787) 9.087 16.323 ( -1.725 9.388 -2.544) 9.879 26.572 ( -1.024 -0.834 -0.459) 1.398 26.589 ( -0.599 -0.686 -0.958) 1.322 26.833 ( 0.326 2.071 0.978) 2.314 26.869 ( 0.665 2.272 -0.004) 2.367 ======================= Grid point 493 (249/251) ======================= q-point: (-0.20 -0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.501 -0.000 16.464) 16.471 1.891 ( -2.123 -0.000 25.019) 25.109 2.752 ( -11.778 -0.000 13.382) 17.827 2.923 ( 3.781 0.000 -5.286) 6.499 3.163 ( 10.532 0.000 -7.392) 12.867 3.338 ( -2.652 -0.000 -7.267) 7.736 3.470 ( 8.420 0.000 -0.505) 8.435 3.820 ( -8.945 -0.000 8.500) 12.340 4.246 ( -1.880 -0.000 2.326) 2.991 4.589 ( -3.773 -0.000 -15.171) 15.633 4.957 ( -3.042 -0.000 -3.844) 4.902 5.467 ( -11.299 -0.000 2.271) 11.525 5.700 ( 10.117 0.000 1.500) 10.228 5.815 ( 9.865 0.000 -10.100) 14.118 5.990 ( 3.650 0.000 0.248) 3.659 6.057 ( -3.026 -0.000 3.250) 4.440 6.869 ( 4.772 0.000 -2.855) 5.561 7.171 ( 6.947 0.000 -5.483) 8.850 7.701 ( -10.980 -0.000 1.945) 11.151 7.795 ( -13.352 -0.000 -5.352) 14.384 7.943 ( -1.994 -0.000 5.128) 5.502 7.994 ( -1.930 -0.000 -2.886) 3.472 8.294 ( 8.282 0.000 1.841) 8.484 8.684 ( 0.292 0.000 2.381) 2.399 10.146 ( -5.005 -0.000 2.771) 5.721 10.288 ( -4.777 -0.000 -2.958) 5.618 10.625 ( -5.190 -0.000 3.785) 6.424 10.712 ( -0.163 -0.000 -3.230) 3.234 11.464 ( 7.342 0.000 3.589) 8.172 12.010 ( 5.939 0.000 1.210) 6.061 12.284 ( 3.084 0.000 -2.971) 4.282 12.331 ( 1.155 0.000 -2.944) 3.162 12.377 ( -2.463 -0.000 2.452) 3.475 12.533 ( 1.632 0.000 0.602) 1.739 14.025 ( -0.750 -0.000 3.889) 3.961 14.113 ( -4.823 -0.000 3.650) 6.049 15.950 ( 8.023 0.000 -6.472) 10.308 16.543 ( 0.817 0.000 -7.642) 7.685 26.559 ( -1.194 -0.000 -0.870) 1.478 26.577 ( -0.764 -0.000 -1.020) 1.275 26.873 ( 0.406 0.000 1.071) 1.146 26.914 ( 0.776 0.000 0.034) 0.776 ======================= Grid point 494 (250/251) ======================= q-point: (-0.10 -0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 1.089 4.826 22.264) 22.807 2.058 ( -3.774 -6.396 22.951) 24.123 2.737 ( -0.029 -1.788 4.971) 5.283 2.976 ( -2.388 -5.288 -12.712) 13.974 3.208 ( 5.683 2.550 -6.057) 8.688 3.318 ( 0.539 -4.845 -3.424) 5.957 3.564 ( 4.372 0.150 4.384) 6.193 3.714 ( -0.088 3.394 6.078) 6.962 4.377 ( -5.766 -13.514 3.135) 15.023 4.507 ( -1.563 0.264 -14.126) 14.215 4.945 ( -1.573 -1.945 -4.212) 4.899 5.376 ( -14.361 -0.990 -0.132) 14.396 5.677 ( 10.862 5.882 -0.718) 12.373 5.957 ( -0.114 0.313 0.334) 0.472 6.044 ( 7.471 -9.526 -4.962) 13.084 6.092 ( -0.329 -3.751 2.405) 4.468 6.917 ( 5.932 -1.411 -1.700) 6.330 7.213 ( 6.001 -0.853 -4.796) 7.729 7.595 ( -15.967 5.558 1.586) 16.981 7.608 ( -9.781 2.070 0.299) 10.002 7.923 ( -0.012 2.759 -0.816) 2.877 7.957 ( -0.942 1.683 -1.705) 2.574 8.381 ( 8.202 -1.044 0.686) 8.297 8.670 ( -2.160 1.483 2.443) 3.582 10.143 ( -2.082 -2.249 2.622) 4.033 10.299 ( -4.175 -5.326 -2.701) 7.286 10.604 ( -3.439 -1.274 3.694) 5.206 10.751 ( -1.496 -5.342 -3.309) 6.460 11.569 ( 8.001 -3.165 5.480) 10.201 12.043 ( 3.814 1.100 0.850) 4.060 12.241 ( -0.314 3.882 -0.294) 3.906 12.280 ( 0.032 2.948 -4.680) 5.531 12.447 ( 2.662 -4.893 -0.213) 5.575 12.578 ( 0.680 -2.788 0.213) 2.877 13.984 ( 0.354 5.854 2.940) 6.560 14.036 ( -4.581 5.728 3.527) 8.139 15.987 ( 9.776 1.485 -6.101) 11.619 16.437 ( -5.250 6.784 -4.887) 9.872 26.551 ( -0.979 -0.417 -0.473) 1.164 26.571 ( -0.704 -0.398 -1.009) 1.292 26.869 ( 0.452 1.200 1.041) 1.652 26.907 ( 0.446 1.323 -0.129) 1.402 ======================= Grid point 504 (251/251) ======================= q-point: (-0.10 -0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 2.743 0.000 22.079) 22.249 2.041 ( -0.464 -0.000 23.777) 23.781 2.704 ( -5.639 -0.000 11.455) 12.768 2.858 ( -0.644 -0.000 -18.846) 18.857 3.226 ( -4.707 -0.000 -2.490) 5.325 3.334 ( 15.058 0.000 -4.570) 15.737 3.650 ( 11.940 0.000 -0.312) 11.944 3.749 ( -10.012 -0.000 13.602) 16.889 4.197 ( -4.407 -0.000 -1.664) 4.711 4.408 ( -3.093 -0.000 -20.592) 20.823 4.925 ( 0.801 0.000 0.609) 1.007 5.253 ( -14.041 -0.000 -1.199) 14.092 5.845 ( 6.640 0.000 1.775) 6.873 5.937 ( 10.239 0.000 -5.442) 11.595 6.017 ( 1.169 0.000 -2.614) 2.864 6.025 ( -4.734 -0.000 4.209) 6.334 6.955 ( 7.601 0.000 -0.464) 7.615 7.234 ( 5.028 0.000 -5.096) 7.159 7.514 ( -17.648 -0.000 0.243) 17.649 7.546 ( -9.247 -0.000 0.832) 9.285 7.936 ( -2.438 -0.000 3.559) 4.314 7.978 ( 2.900 0.000 -4.434) 5.298 8.452 ( 10.311 0.000 -0.618) 10.330 8.666 ( -4.112 -0.000 1.304) 4.314 10.114 ( -1.726 -0.000 3.085) 3.535 10.214 ( -2.005 -0.000 -2.967) 3.581 10.572 ( -5.322 -0.000 5.850) 7.908 10.684 ( 0.582 0.000 -4.839) 4.874 11.626 ( 7.871 0.000 6.964) 10.510 12.063 ( 0.870 0.000 -2.855) 2.985 12.235 ( 0.230 0.000 -6.170) 6.174 12.330 ( -4.616 -0.000 1.110) 4.747 12.430 ( 6.563 0.000 1.840) 6.816 12.557 ( 0.592 0.000 -0.072) 0.596 14.055 ( 2.508 0.000 0.741) 2.615 14.065 ( -4.601 -0.000 4.829) 6.670 16.068 ( 11.432 0.000 -5.045) 12.496 16.423 ( -10.174 -0.000 -4.561) 11.149 26.539 ( -0.726 -0.000 -0.246) 0.766 26.558 ( -0.691 -0.000 -0.945) 1.171 26.888 ( 0.512 0.000 1.002) 1.125 26.920 ( 0.126 0.000 -0.271) 0.299 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/37800 10.0 841.743 819.241 624.593 0.000 107.217 0.000 3/37800 20.0 355.329 447.576 342.245 -0.000 43.755 0.000 3/37800 30.0 161.906 220.136 176.361 -0.000 15.950 0.000 3/37800 40.0 87.644 122.391 103.174 -0.000 6.385 0.000 3/37800 50.0 54.467 76.667 67.064 -0.000 2.784 0.000 3/37800 60.0 37.531 52.817 47.417 -0.000 1.293 0.000 3/37800 70.0 27.867 39.045 35.715 -0.000 0.614 0.000 3/37800 80.0 21.840 30.403 28.198 -0.000 0.280 0.000 3/37800 90.0 17.810 24.615 23.070 -0.000 0.106 0.000 3/37800 100.0 14.965 20.535 19.401 -0.000 0.011 0.000 3/37800 110.0 12.870 17.540 16.674 -0.000 -0.041 0.000 3/37800 120.0 11.273 15.267 14.585 -0.000 -0.071 0.000 3/37800 130.0 10.022 13.495 12.943 -0.000 -0.088 0.000 3/37800 140.0 9.019 12.080 11.623 -0.000 -0.097 0.000 3/37800 150.0 8.199 10.930 10.544 -0.000 -0.102 0.000 3/37800 160.0 7.517 9.978 9.647 -0.000 -0.104 0.000 3/37800 170.0 6.941 9.178 8.890 -0.000 -0.104 0.000 3/37800 180.0 6.449 8.499 8.245 -0.000 -0.104 0.000 3/37800 190.0 6.024 7.914 7.688 -0.000 -0.102 0.000 3/37800 200.0 5.654 7.406 7.203 -0.000 -0.101 0.000 3/37800 210.0 5.327 6.961 6.776 -0.000 -0.099 0.000 3/37800 220.0 5.038 6.568 6.399 -0.000 -0.097 0.000 3/37800 230.0 4.780 6.218 6.063 -0.000 -0.095 0.000 3/37800 240.0 4.547 5.904 5.761 -0.000 -0.092 0.000 3/37800 250.0 4.338 5.622 5.489 -0.000 -0.090 0.000 3/37800 260.0 4.147 5.366 5.242 -0.000 -0.088 0.000 3/37800 270.0 3.973 5.134 5.018 -0.000 -0.086 0.000 3/37800 280.0 3.814 4.921 4.812 -0.000 -0.084 0.000 3/37800 290.0 3.667 4.726 4.623 -0.000 -0.082 0.000 3/37800 300.0 3.531 4.547 4.449 -0.000 -0.080 0.000 3/37800 310.0 3.406 4.381 4.288 -0.000 -0.079 0.000 3/37800 320.0 3.290 4.227 4.138 -0.000 -0.077 0.000 3/37800 330.0 3.181 4.084 3.999 -0.000 -0.075 0.000 3/37800 340.0 3.080 3.950 3.869 -0.000 -0.073 0.000 3/37800 350.0 2.985 3.826 3.748 -0.000 -0.072 0.000 3/37800 360.0 2.896 3.709 3.634 -0.000 -0.070 0.000 3/37800 370.0 2.812 3.599 3.528 -0.000 -0.069 0.000 3/37800 380.0 2.733 3.496 3.427 -0.000 -0.067 0.000 3/37800 390.0 2.658 3.399 3.332 -0.000 -0.066 0.000 3/37800 400.0 2.588 3.307 3.243 -0.000 -0.065 0.000 3/37800 410.0 2.521 3.220 3.158 -0.000 -0.063 0.000 3/37800 420.0 2.458 3.138 3.078 -0.000 -0.062 0.000 3/37800 430.0 2.398 3.060 3.001 -0.000 -0.061 0.000 3/37800 440.0 2.341 2.986 2.929 -0.000 -0.060 0.000 3/37800 450.0 2.286 2.915 2.860 -0.000 -0.059 0.000 3/37800 460.0 2.234 2.848 2.794 -0.000 -0.057 0.000 3/37800 470.0 2.185 2.784 2.732 -0.000 -0.056 0.000 3/37800 480.0 2.137 2.723 2.672 -0.000 -0.055 0.000 3/37800 490.0 2.092 2.664 2.615 -0.000 -0.054 0.000 3/37800 500.0 2.048 2.608 2.560 -0.000 -0.053 0.000 3/37800 510.0 2.007 2.554 2.507 -0.000 -0.053 0.000 3/37800 520.0 1.967 2.503 2.457 -0.000 -0.052 0.000 3/37800 530.0 1.929 2.454 2.409 -0.000 -0.051 0.000 3/37800 540.0 1.892 2.406 2.362 -0.000 -0.050 0.000 3/37800 550.0 1.856 2.361 2.317 -0.000 -0.049 0.000 3/37800 560.0 1.822 2.317 2.274 -0.000 -0.048 0.000 3/37800 570.0 1.789 2.274 2.233 -0.000 -0.048 0.000 3/37800 580.0 1.758 2.234 2.193 -0.000 -0.047 0.000 3/37800 590.0 1.727 2.195 2.155 -0.000 -0.046 0.000 3/37800 600.0 1.697 2.157 2.118 -0.000 -0.045 0.000 3/37800 610.0 1.669 2.120 2.082 -0.000 -0.045 0.000 3/37800 620.0 1.641 2.085 2.047 -0.000 -0.044 0.000 3/37800 630.0 1.615 2.051 2.014 -0.000 -0.043 0.000 3/37800 640.0 1.589 2.018 1.981 -0.000 -0.043 0.000 3/37800 650.0 1.564 1.986 1.950 -0.000 -0.042 0.000 3/37800 660.0 1.540 1.955 1.920 -0.000 -0.042 0.000 3/37800 670.0 1.516 1.925 1.890 -0.000 -0.041 0.000 3/37800 680.0 1.494 1.896 1.862 -0.000 -0.041 0.000 3/37800 690.0 1.472 1.868 1.834 -0.000 -0.040 0.000 3/37800 700.0 1.450 1.840 1.807 -0.000 -0.039 0.000 3/37800 710.0 1.429 1.814 1.781 -0.000 -0.039 0.000 3/37800 720.0 1.409 1.788 1.756 -0.000 -0.038 0.000 3/37800 730.0 1.390 1.763 1.731 -0.000 -0.038 0.000 3/37800 740.0 1.370 1.738 1.708 -0.000 -0.037 0.000 3/37800 750.0 1.352 1.715 1.684 -0.000 -0.037 0.000 3/37800 760.0 1.334 1.692 1.662 -0.000 -0.037 0.000 3/37800 770.0 1.316 1.669 1.640 -0.000 -0.036 0.000 3/37800 780.0 1.299 1.648 1.618 -0.000 -0.036 0.000 3/37800 790.0 1.282 1.626 1.597 -0.000 -0.035 0.000 3/37800 800.0 1.266 1.606 1.577 -0.000 -0.035 0.000 3/37800 810.0 1.250 1.585 1.557 -0.000 -0.034 0.000 3/37800 820.0 1.235 1.566 1.538 -0.000 -0.034 0.000 3/37800 830.0 1.220 1.546 1.519 -0.000 -0.034 0.000 3/37800 840.0 1.205 1.528 1.501 -0.000 -0.033 0.000 3/37800 850.0 1.191 1.509 1.483 -0.000 -0.033 0.000 3/37800 860.0 1.177 1.492 1.465 -0.000 -0.033 0.000 3/37800 870.0 1.163 1.474 1.448 -0.000 -0.032 0.000 3/37800 880.0 1.150 1.457 1.431 -0.000 -0.032 0.000 3/37800 890.0 1.137 1.441 1.415 -0.000 -0.031 0.000 3/37800 900.0 1.124 1.424 1.399 -0.000 -0.031 0.000 3/37800 910.0 1.111 1.409 1.384 -0.000 -0.031 0.000 3/37800 920.0 1.099 1.393 1.368 -0.000 -0.030 0.000 3/37800 930.0 1.087 1.378 1.354 -0.000 -0.030 0.000 3/37800 940.0 1.076 1.363 1.339 -0.000 -0.030 0.000 3/37800 950.0 1.064 1.348 1.325 -0.000 -0.030 0.000 3/37800 960.0 1.053 1.334 1.311 -0.000 -0.029 0.000 3/37800 970.0 1.042 1.320 1.297 -0.000 -0.029 0.000 3/37800 980.0 1.031 1.307 1.284 -0.000 -0.029 0.000 3/37800 990.0 1.021 1.293 1.271 -0.000 -0.028 0.000 3/37800 1000.0 1.011 1.280 1.258 -0.000 -0.028 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:53:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|