----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:23:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.030273499999999 3.117826114999999 4.311700585000000 b 3.030273499999999 -3.117826114999999 4.311700585000000 c 3.030273499999999 3.117826114999999 -4.311700585000000 Atomic positions (fractional): *1 Mg 0.61203306482785 0.86203306482785 0.75000000000000 24.305 2 Mg 0.38796693517215 0.13796693517215 0.25000000000000 24.305 *3 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 4 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *5 O 0.24622475850018 0.73059724362178 0.98437248512160 15.999 *6 O 0.78254520988413 0.26407299263223 0.51847221725190 15.999 7 O 0.24622475850018 0.26185227337858 0.51562751487840 15.999 8 O 0.24560077538033 0.26407299263223 0.98152778274810 15.999 9 O 0.75439922461967 0.73592700736777 0.01847221725190 15.999 10 O 0.21745479011587 0.73592700736777 0.48152778274810 15.999 11 O 0.75377524149982 0.73814772662142 0.48437248512160 15.999 12 O 0.75377524149982 0.26940275637821 0.01562751487840 15.999 *13 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 14 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.060546999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.235652229999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.623401169999999 Atomic positions (fractional): *1 Mg 0.00000000000000 0.75000000000000 0.86203306482785 24.305 > 1 2 Mg 0.00000000000000 0.25000000000000 0.13796693517215 24.305 > 2 *3 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 3 4 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 4 5 Mg 0.50000000000000 0.25000000000000 0.36203306482785 24.305 > 1 6 Mg 0.50000000000000 0.75000000000000 0.63796693517215 24.305 > 2 7 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 3 8 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 4 *9 O 0.73437248512160 0.25000000000000 0.99622475850018 15.999 > 5 *10 O 0.00000000000000 0.51847221725190 0.26407299263223 15.999 > 6 11 O 0.26562751487840 0.25000000000000 0.99622475850018 15.999 > 7 12 O 0.50000000000000 0.48152778274810 0.76407299263223 15.999 > 8 13 O 0.50000000000000 0.51847221725190 0.23592700736777 15.999 > 9 14 O 0.00000000000000 0.48152778274810 0.73592700736777 15.999 > 10 15 O 0.73437248512160 0.75000000000000 0.00377524149982 15.999 > 11 16 O 0.26562751487840 0.75000000000000 0.00377524149982 15.999 > 12 17 O 0.23437248512160 0.75000000000000 0.49622475850018 15.999 > 5 18 O 0.50000000000000 0.01847221725190 0.76407299263223 15.999 > 6 19 O 0.76562751487840 0.75000000000000 0.49622475850018 15.999 > 7 20 O 0.00000000000000 0.98152778274810 0.26407299263223 15.999 > 8 21 O 0.00000000000000 0.01847221725190 0.73592700736777 15.999 > 9 22 O 0.50000000000000 0.98152778274810 0.23592700736777 15.999 > 10 23 O 0.23437248512160 0.25000000000000 0.50377524149982 15.999 > 11 24 O 0.76562751487840 0.25000000000000 0.50377524149982 15.999 > 12 *25 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 13 26 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 14 27 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 13 28 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.121093999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.471304459999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.623401169999999 Atomic positions (fractional): *1 Mg 0.00000000000000 0.37500000000000 0.86203306482785 24.305 > 1 2 Mg 0.50000000000000 0.37500000000000 0.86203306482785 24.305 > 1 3 Mg 0.00000000000000 0.87500000000000 0.86203306482785 24.305 > 1 4 Mg 0.50000000000000 0.87500000000000 0.86203306482785 24.305 > 1 5 Mg 0.00000000000000 0.12500000000000 0.13796693517215 24.305 > 2 6 Mg 0.50000000000000 0.12500000000000 0.13796693517215 24.305 > 2 7 Mg 0.00000000000000 0.62500000000000 0.13796693517215 24.305 > 2 8 Mg 0.50000000000000 0.62500000000000 0.13796693517215 24.305 > 2 *9 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 3 10 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 3 11 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 3 12 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 3 13 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 4 14 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 4 15 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 4 16 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 4 17 Mg 0.25000000000000 0.12500000000000 0.36203306482785 24.305 > 1 18 Mg 0.75000000000000 0.12500000000000 0.36203306482785 24.305 > 1 19 Mg 0.25000000000000 0.62500000000000 0.36203306482785 24.305 > 1 20 Mg 0.75000000000000 0.62500000000000 0.36203306482785 24.305 > 1 21 Mg 0.25000000000000 0.37500000000000 0.63796693517215 24.305 > 2 22 Mg 0.75000000000000 0.37500000000000 0.63796693517215 24.305 > 2 23 Mg 0.25000000000000 0.87500000000000 0.63796693517215 24.305 > 2 24 Mg 0.75000000000000 0.87500000000000 0.63796693517215 24.305 > 2 25 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 3 26 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 3 27 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 3 28 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 3 29 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 4 30 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 4 31 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 4 32 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 4 *33 O 0.36718624256080 0.12500000000000 0.99622475850018 15.999 > 5 34 O 0.86718624256080 0.12500000000000 0.99622475850018 15.999 > 5 35 O 0.36718624256080 0.62500000000000 0.99622475850018 15.999 > 5 36 O 0.86718624256080 0.62500000000000 0.99622475850018 15.999 > 5 *37 O 0.00000000000000 0.25923610862595 0.26407299263223 15.999 > 6 38 O 0.50000000000000 0.25923610862595 0.26407299263223 15.999 > 6 39 O 0.00000000000000 0.75923610862595 0.26407299263223 15.999 > 6 40 O 0.50000000000000 0.75923610862595 0.26407299263223 15.999 > 6 41 O 0.13281375743920 0.12500000000000 0.99622475850018 15.999 > 7 42 O 0.63281375743920 0.12500000000000 0.99622475850018 15.999 > 7 43 O 0.13281375743920 0.62500000000000 0.99622475850018 15.999 > 7 44 O 0.63281375743920 0.62500000000000 0.99622475850018 15.999 > 7 45 O 0.25000000000000 0.24076389137405 0.76407299263223 15.999 > 8 46 O 0.75000000000000 0.24076389137405 0.76407299263223 15.999 > 8 47 O 0.25000000000000 0.74076389137405 0.76407299263223 15.999 > 8 48 O 0.75000000000000 0.74076389137405 0.76407299263223 15.999 > 8 49 O 0.25000000000000 0.25923610862595 0.23592700736777 15.999 > 9 50 O 0.75000000000000 0.25923610862595 0.23592700736777 15.999 > 9 51 O 0.25000000000000 0.75923610862595 0.23592700736777 15.999 > 9 52 O 0.75000000000000 0.75923610862595 0.23592700736777 15.999 > 9 53 O 0.00000000000000 0.24076389137405 0.73592700736777 15.999 > 10 54 O 0.50000000000000 0.24076389137405 0.73592700736777 15.999 > 10 55 O 0.00000000000000 0.74076389137405 0.73592700736777 15.999 > 10 56 O 0.50000000000000 0.74076389137405 0.73592700736777 15.999 > 10 57 O 0.36718624256080 0.37500000000000 0.00377524149982 15.999 > 11 58 O 0.86718624256080 0.37500000000000 0.00377524149982 15.999 > 11 59 O 0.36718624256080 0.87500000000000 0.00377524149982 15.999 > 11 60 O 0.86718624256080 0.87500000000000 0.00377524149982 15.999 > 11 61 O 0.13281375743920 0.37500000000000 0.00377524149982 15.999 > 12 62 O 0.63281375743920 0.37500000000000 0.00377524149982 15.999 > 12 63 O 0.13281375743920 0.87500000000000 0.00377524149982 15.999 > 12 64 O 0.63281375743920 0.87500000000000 0.00377524149982 15.999 > 12 65 O 0.11718624256080 0.37500000000000 0.49622475850018 15.999 > 5 66 O 0.61718624256080 0.37500000000000 0.49622475850018 15.999 > 5 67 O 0.11718624256080 0.87500000000000 0.49622475850018 15.999 > 5 68 O 0.61718624256080 0.87500000000000 0.49622475850018 15.999 > 5 69 O 0.25000000000000 0.00923610862595 0.76407299263223 15.999 > 6 70 O 0.75000000000000 0.00923610862595 0.76407299263223 15.999 > 6 71 O 0.25000000000000 0.50923610862595 0.76407299263223 15.999 > 6 72 O 0.75000000000000 0.50923610862595 0.76407299263223 15.999 > 6 73 O 0.38281375743920 0.37500000000000 0.49622475850018 15.999 > 7 74 O 0.88281375743920 0.37500000000000 0.49622475850018 15.999 > 7 75 O 0.38281375743920 0.87500000000000 0.49622475850018 15.999 > 7 76 O 0.88281375743920 0.87500000000000 0.49622475850018 15.999 > 7 77 O 0.00000000000000 0.49076389137405 0.26407299263223 15.999 > 8 78 O 0.50000000000000 0.49076389137405 0.26407299263223 15.999 > 8 79 O 0.00000000000000 0.99076389137405 0.26407299263223 15.999 > 8 80 O 0.50000000000000 0.99076389137405 0.26407299263223 15.999 > 8 81 O 0.00000000000000 0.00923610862595 0.73592700736777 15.999 > 9 82 O 0.50000000000000 0.00923610862595 0.73592700736777 15.999 > 9 83 O 0.00000000000000 0.50923610862595 0.73592700736777 15.999 > 9 84 O 0.50000000000000 0.50923610862595 0.73592700736777 15.999 > 9 85 O 0.25000000000000 0.49076389137405 0.23592700736777 15.999 > 10 86 O 0.75000000000000 0.49076389137405 0.23592700736777 15.999 > 10 87 O 0.25000000000000 0.99076389137405 0.23592700736777 15.999 > 10 88 O 0.75000000000000 0.99076389137405 0.23592700736777 15.999 > 10 89 O 0.11718624256080 0.12500000000000 0.50377524149982 15.999 > 11 90 O 0.61718624256080 0.12500000000000 0.50377524149982 15.999 > 11 91 O 0.11718624256080 0.62500000000000 0.50377524149982 15.999 > 11 92 O 0.61718624256080 0.62500000000000 0.50377524149982 15.999 > 11 93 O 0.38281375743920 0.12500000000000 0.50377524149982 15.999 > 12 94 O 0.88281375743920 0.12500000000000 0.50377524149982 15.999 > 12 95 O 0.38281375743920 0.62500000000000 0.50377524149982 15.999 > 12 96 O 0.88281375743920 0.62500000000000 0.50377524149982 15.999 > 12 *97 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 13 98 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 13 99 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 13 100 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 13 101 Sn 0.25000000000000 0.25000000000000 0.00000000000000 118.710 > 14 102 Sn 0.75000000000000 0.25000000000000 0.00000000000000 118.710 > 14 103 Sn 0.25000000000000 0.75000000000000 0.00000000000000 118.710 > 14 104 Sn 0.75000000000000 0.75000000000000 0.00000000000000 118.710 > 14 105 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 13 106 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 13 107 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 13 108 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 13 109 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 14 110 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 14 111 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 14 112 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3225124 0.0000000 0.0000000 0.0000000 3.6858504 0.0000000 0.0000000 0.0000000 3.5285486 -------------------------- Born effective charges -------------------------- 1 Mg 2.3022262 0.0000000 0.0000000 0.0000000 1.8974861 0.0000000 0.0000000 0.0000000 2.1502416 2 Mg 2.3022262 0.0000000 0.0000000 0.0000000 1.8974861 0.0000000 0.0000000 0.0000000 2.1502416 3 Mg 2.0032316 0.0000000 -0.4697105 0.0000000 1.9199491 0.0000000 -0.6038347 0.0000000 1.9307237 4 Mg 2.0032316 0.0000000 0.4697105 0.0000000 1.9199491 0.0000000 0.6038347 0.0000000 1.9307237 5 O -1.9777753 0.0000000 -0.1018547 0.0000000 -2.2365552 0.0000000 -0.0844493 0.0000000 -1.6948172 6 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 -0.0653825 0.0000000 -0.0772856 -2.0637348 7 O -1.9777753 0.0000000 0.1018547 0.0000000 -2.2365552 0.0000000 0.0844493 0.0000000 -1.6948172 8 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 0.0653825 0.0000000 0.0772856 -2.0637348 9 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 0.0653825 0.0000000 0.0772856 -2.0637348 10 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 -0.0653825 0.0000000 -0.0772856 -2.0637348 11 O -1.9777753 0.0000000 0.1018547 0.0000000 -2.2365552 0.0000000 0.0844493 0.0000000 -1.6948172 12 O -1.9777753 0.0000000 -0.1018547 0.0000000 -2.2365552 0.0000000 -0.0844493 0.0000000 -1.6948172 13 Sn 2.8366164 0.0000000 0.0000000 0.0000000 4.3927456 -0.1439596 0.0000000 -0.1413768 3.4361387 14 Sn 2.8366164 0.0000000 0.0000000 0.0000000 4.3927456 0.1439596 0.0000000 0.1413768 3.4361387 ---------------------------------------------------------------------------- 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: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.069 Solver_block: 200 / 240 - Time: 1.080 Solver_block: 240 / 240 - Time: 0.508 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.758 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:24:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:24:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.030273499999999 3.117826114999999 4.311700585000000 b 3.030273499999999 -3.117826114999999 4.311700585000000 c 3.030273499999999 3.117826114999999 -4.311700585000000 Atomic positions (fractional): 1 Mg 0.61203306482785 0.86203306482785 0.75000000000000 24.305 2 Mg 0.38796693517215 0.13796693517215 0.25000000000000 24.305 3 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 4 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 5 O 0.24622475850018 0.73059724362178 0.98437248512160 15.999 6 O 0.78254520988413 0.26407299263223 0.51847221725190 15.999 7 O 0.24622475850018 0.26185227337858 0.51562751487840 15.999 8 O 0.24560077538033 0.26407299263223 0.98152778274810 15.999 9 O 0.75439922461967 0.73592700736777 0.01847221725190 15.999 10 O 0.21745479011587 0.73592700736777 0.48152778274810 15.999 11 O 0.75377524149982 0.73814772662142 0.48437248512160 15.999 12 O 0.75377524149982 0.26940275637821 0.01562751487840 15.999 13 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 14 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.121093999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.471304459999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.623401169999999 Atomic positions (fractional): 1 Mg 0.00000000000000 0.37500000000000 0.86203306482785 24.305 > 1 2 Mg 0.50000000000000 0.37500000000000 0.86203306482785 24.305 > 1 3 Mg 0.00000000000000 0.87500000000000 0.86203306482785 24.305 > 1 4 Mg 0.50000000000000 0.87500000000000 0.86203306482785 24.305 > 1 5 Mg 0.00000000000000 0.12500000000000 0.13796693517215 24.305 > 5 6 Mg 0.50000000000000 0.12500000000000 0.13796693517215 24.305 > 5 7 Mg 0.00000000000000 0.62500000000000 0.13796693517215 24.305 > 5 8 Mg 0.50000000000000 0.62500000000000 0.13796693517215 24.305 > 5 9 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 9 10 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 9 11 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 9 12 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 9 13 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 13 14 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 13 15 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 13 16 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 13 17 Mg 0.25000000000000 0.12500000000000 0.36203306482785 24.305 > 1 18 Mg 0.75000000000000 0.12500000000000 0.36203306482785 24.305 > 1 19 Mg 0.25000000000000 0.62500000000000 0.36203306482785 24.305 > 1 20 Mg 0.75000000000000 0.62500000000000 0.36203306482785 24.305 > 1 21 Mg 0.25000000000000 0.37500000000000 0.63796693517215 24.305 > 5 22 Mg 0.75000000000000 0.37500000000000 0.63796693517215 24.305 > 5 23 Mg 0.25000000000000 0.87500000000000 0.63796693517215 24.305 > 5 24 Mg 0.75000000000000 0.87500000000000 0.63796693517215 24.305 > 5 25 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 9 26 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 9 27 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 9 28 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 9 29 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 13 30 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 13 31 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 13 32 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 13 33 O 0.36718624256080 0.12500000000000 0.99622475850018 15.999 > 33 34 O 0.86718624256080 0.12500000000000 0.99622475850018 15.999 > 33 35 O 0.36718624256080 0.62500000000000 0.99622475850018 15.999 > 33 36 O 0.86718624256080 0.62500000000000 0.99622475850018 15.999 > 33 37 O 0.00000000000000 0.25923610862595 0.26407299263223 15.999 > 37 38 O 0.50000000000000 0.25923610862595 0.26407299263223 15.999 > 37 39 O 0.00000000000000 0.75923610862595 0.26407299263223 15.999 > 37 40 O 0.50000000000000 0.75923610862595 0.26407299263223 15.999 > 37 41 O 0.13281375743920 0.12500000000000 0.99622475850018 15.999 > 41 42 O 0.63281375743920 0.12500000000000 0.99622475850018 15.999 > 41 43 O 0.13281375743920 0.62500000000000 0.99622475850018 15.999 > 41 44 O 0.63281375743920 0.62500000000000 0.99622475850018 15.999 > 41 45 O 0.25000000000000 0.24076389137405 0.76407299263223 15.999 > 45 46 O 0.75000000000000 0.24076389137405 0.76407299263223 15.999 > 45 47 O 0.25000000000000 0.74076389137405 0.76407299263223 15.999 > 45 48 O 0.75000000000000 0.74076389137405 0.76407299263223 15.999 > 45 49 O 0.25000000000000 0.25923610862595 0.23592700736777 15.999 > 49 50 O 0.75000000000000 0.25923610862595 0.23592700736777 15.999 > 49 51 O 0.25000000000000 0.75923610862595 0.23592700736777 15.999 > 49 52 O 0.75000000000000 0.75923610862595 0.23592700736777 15.999 > 49 53 O 0.00000000000000 0.24076389137405 0.73592700736777 15.999 > 53 54 O 0.50000000000000 0.24076389137405 0.73592700736777 15.999 > 53 55 O 0.00000000000000 0.74076389137405 0.73592700736777 15.999 > 53 56 O 0.50000000000000 0.74076389137405 0.73592700736777 15.999 > 53 57 O 0.36718624256080 0.37500000000000 0.00377524149982 15.999 > 57 58 O 0.86718624256080 0.37500000000000 0.00377524149982 15.999 > 57 59 O 0.36718624256080 0.87500000000000 0.00377524149982 15.999 > 57 60 O 0.86718624256080 0.87500000000000 0.00377524149982 15.999 > 57 61 O 0.13281375743920 0.37500000000000 0.00377524149982 15.999 > 61 62 O 0.63281375743920 0.37500000000000 0.00377524149982 15.999 > 61 63 O 0.13281375743920 0.87500000000000 0.00377524149982 15.999 > 61 64 O 0.63281375743920 0.87500000000000 0.00377524149982 15.999 > 61 65 O 0.11718624256080 0.37500000000000 0.49622475850018 15.999 > 33 66 O 0.61718624256080 0.37500000000000 0.49622475850018 15.999 > 33 67 O 0.11718624256080 0.87500000000000 0.49622475850018 15.999 > 33 68 O 0.61718624256080 0.87500000000000 0.49622475850018 15.999 > 33 69 O 0.25000000000000 0.00923610862595 0.76407299263223 15.999 > 37 70 O 0.75000000000000 0.00923610862595 0.76407299263223 15.999 > 37 71 O 0.25000000000000 0.50923610862595 0.76407299263223 15.999 > 37 72 O 0.75000000000000 0.50923610862595 0.76407299263223 15.999 > 37 73 O 0.38281375743920 0.37500000000000 0.49622475850018 15.999 > 41 74 O 0.88281375743920 0.37500000000000 0.49622475850018 15.999 > 41 75 O 0.38281375743920 0.87500000000000 0.49622475850018 15.999 > 41 76 O 0.88281375743920 0.87500000000000 0.49622475850018 15.999 > 41 77 O 0.00000000000000 0.49076389137405 0.26407299263223 15.999 > 45 78 O 0.50000000000000 0.49076389137405 0.26407299263223 15.999 > 45 79 O 0.00000000000000 0.99076389137405 0.26407299263223 15.999 > 45 80 O 0.50000000000000 0.99076389137405 0.26407299263223 15.999 > 45 81 O 0.00000000000000 0.00923610862595 0.73592700736777 15.999 > 49 82 O 0.50000000000000 0.00923610862595 0.73592700736777 15.999 > 49 83 O 0.00000000000000 0.50923610862595 0.73592700736777 15.999 > 49 84 O 0.50000000000000 0.50923610862595 0.73592700736777 15.999 > 49 85 O 0.25000000000000 0.49076389137405 0.23592700736777 15.999 > 53 86 O 0.75000000000000 0.49076389137405 0.23592700736777 15.999 > 53 87 O 0.25000000000000 0.99076389137405 0.23592700736777 15.999 > 53 88 O 0.75000000000000 0.99076389137405 0.23592700736777 15.999 > 53 89 O 0.11718624256080 0.12500000000000 0.50377524149982 15.999 > 57 90 O 0.61718624256080 0.12500000000000 0.50377524149982 15.999 > 57 91 O 0.11718624256080 0.62500000000000 0.50377524149982 15.999 > 57 92 O 0.61718624256080 0.62500000000000 0.50377524149982 15.999 > 57 93 O 0.38281375743920 0.12500000000000 0.50377524149982 15.999 > 61 94 O 0.88281375743920 0.12500000000000 0.50377524149982 15.999 > 61 95 O 0.38281375743920 0.62500000000000 0.50377524149982 15.999 > 61 96 O 0.88281375743920 0.62500000000000 0.50377524149982 15.999 > 61 97 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 97 98 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 97 99 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 97 100 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 97 101 Sn 0.25000000000000 0.25000000000000 0.00000000000000 118.710 > 101 102 Sn 0.75000000000000 0.25000000000000 0.00000000000000 118.710 > 101 103 Sn 0.25000000000000 0.75000000000000 0.00000000000000 118.710 > 101 104 Sn 0.75000000000000 0.75000000000000 0.00000000000000 118.710 > 101 105 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 97 106 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 97 107 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 97 108 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 97 109 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 101 110 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 101 111 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 101 112 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3225124 0.0000000 0.0000000 0.0000000 3.6858504 0.0000000 0.0000000 0.0000000 3.5285486 -------------------------- Born effective charges -------------------------- 1 Mg 2.3022262 0.0000000 0.0000000 0.0000000 1.8974861 0.0000000 0.0000000 0.0000000 2.1502416 2 Mg 2.3022262 0.0000000 0.0000000 0.0000000 1.8974861 0.0000000 0.0000000 0.0000000 2.1502416 3 Mg 2.0032316 0.0000000 -0.4697105 0.0000000 1.9199491 0.0000000 -0.6038347 0.0000000 1.9307237 4 Mg 2.0032316 0.0000000 0.4697105 0.0000000 1.9199491 0.0000000 0.6038347 0.0000000 1.9307237 5 O -1.9777753 0.0000000 -0.1018547 0.0000000 -2.2365552 0.0000000 -0.0844493 0.0000000 -1.6948172 6 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 -0.0653825 0.0000000 -0.0772856 -2.0637348 7 O -1.9777753 0.0000000 0.1018547 0.0000000 -2.2365552 0.0000000 0.0844493 0.0000000 -1.6948172 8 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 0.0653825 0.0000000 0.0772856 -2.0637348 9 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 0.0653825 0.0000000 0.0772856 -2.0637348 10 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 -0.0653825 0.0000000 -0.0772856 -2.0637348 11 O -1.9777753 0.0000000 0.1018547 0.0000000 -2.2365552 0.0000000 0.0844493 0.0000000 -1.6948172 12 O -1.9777753 0.0000000 -0.1018547 0.0000000 -2.2365552 0.0000000 -0.0844493 0.0000000 -1.6948172 13 Sn 2.8366164 0.0000000 0.0000000 0.0000000 4.3927456 -0.1439596 0.0000000 -0.1413768 3.4361387 14 Sn 2.8366164 0.0000000 0.0000000 0.0000000 4.3927456 0.1439596 0.0000000 0.1413768 3.4361387 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) 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 2026-01-08 09:24:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:24:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.030273499999999 3.117826114999999 4.311700585000000 b 3.030273499999999 -3.117826114999999 4.311700585000000 c 3.030273499999999 3.117826114999999 -4.311700585000000 Atomic positions (fractional): 1 Mg 0.61203306482785 0.86203306482785 0.75000000000000 24.305 2 Mg 0.38796693517215 0.13796693517215 0.25000000000000 24.305 3 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 4 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 5 O 0.24622475850018 0.73059724362178 0.98437248512160 15.999 6 O 0.78254520988413 0.26407299263223 0.51847221725190 15.999 7 O 0.24622475850018 0.26185227337858 0.51562751487840 15.999 8 O 0.24560077538033 0.26407299263223 0.98152778274810 15.999 9 O 0.75439922461967 0.73592700736777 0.01847221725190 15.999 10 O 0.21745479011587 0.73592700736777 0.48152778274810 15.999 11 O 0.75377524149982 0.73814772662142 0.48437248512160 15.999 12 O 0.75377524149982 0.26940275637821 0.01562751487840 15.999 13 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 14 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.121093999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.471304459999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.623401169999999 Atomic positions (fractional): 1 Mg 0.00000000000000 0.37500000000000 0.86203306482785 24.305 > 1 2 Mg 0.50000000000000 0.37500000000000 0.86203306482785 24.305 > 1 3 Mg 0.00000000000000 0.87500000000000 0.86203306482785 24.305 > 1 4 Mg 0.50000000000000 0.87500000000000 0.86203306482785 24.305 > 1 5 Mg 0.00000000000000 0.12500000000000 0.13796693517215 24.305 > 5 6 Mg 0.50000000000000 0.12500000000000 0.13796693517215 24.305 > 5 7 Mg 0.00000000000000 0.62500000000000 0.13796693517215 24.305 > 5 8 Mg 0.50000000000000 0.62500000000000 0.13796693517215 24.305 > 5 9 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 9 10 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 9 11 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 9 12 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 9 13 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 13 14 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 13 15 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 13 16 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 13 17 Mg 0.25000000000000 0.12500000000000 0.36203306482785 24.305 > 1 18 Mg 0.75000000000000 0.12500000000000 0.36203306482785 24.305 > 1 19 Mg 0.25000000000000 0.62500000000000 0.36203306482785 24.305 > 1 20 Mg 0.75000000000000 0.62500000000000 0.36203306482785 24.305 > 1 21 Mg 0.25000000000000 0.37500000000000 0.63796693517215 24.305 > 5 22 Mg 0.75000000000000 0.37500000000000 0.63796693517215 24.305 > 5 23 Mg 0.25000000000000 0.87500000000000 0.63796693517215 24.305 > 5 24 Mg 0.75000000000000 0.87500000000000 0.63796693517215 24.305 > 5 25 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 9 26 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 9 27 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 9 28 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 9 29 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 13 30 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 13 31 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 13 32 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 13 33 O 0.36718624256080 0.12500000000000 0.99622475850018 15.999 > 33 34 O 0.86718624256080 0.12500000000000 0.99622475850018 15.999 > 33 35 O 0.36718624256080 0.62500000000000 0.99622475850018 15.999 > 33 36 O 0.86718624256080 0.62500000000000 0.99622475850018 15.999 > 33 37 O 0.00000000000000 0.25923610862595 0.26407299263223 15.999 > 37 38 O 0.50000000000000 0.25923610862595 0.26407299263223 15.999 > 37 39 O 0.00000000000000 0.75923610862595 0.26407299263223 15.999 > 37 40 O 0.50000000000000 0.75923610862595 0.26407299263223 15.999 > 37 41 O 0.13281375743920 0.12500000000000 0.99622475850018 15.999 > 41 42 O 0.63281375743920 0.12500000000000 0.99622475850018 15.999 > 41 43 O 0.13281375743920 0.62500000000000 0.99622475850018 15.999 > 41 44 O 0.63281375743920 0.62500000000000 0.99622475850018 15.999 > 41 45 O 0.25000000000000 0.24076389137405 0.76407299263223 15.999 > 45 46 O 0.75000000000000 0.24076389137405 0.76407299263223 15.999 > 45 47 O 0.25000000000000 0.74076389137405 0.76407299263223 15.999 > 45 48 O 0.75000000000000 0.74076389137405 0.76407299263223 15.999 > 45 49 O 0.25000000000000 0.25923610862595 0.23592700736777 15.999 > 49 50 O 0.75000000000000 0.25923610862595 0.23592700736777 15.999 > 49 51 O 0.25000000000000 0.75923610862595 0.23592700736777 15.999 > 49 52 O 0.75000000000000 0.75923610862595 0.23592700736777 15.999 > 49 53 O 0.00000000000000 0.24076389137405 0.73592700736777 15.999 > 53 54 O 0.50000000000000 0.24076389137405 0.73592700736777 15.999 > 53 55 O 0.00000000000000 0.74076389137405 0.73592700736777 15.999 > 53 56 O 0.50000000000000 0.74076389137405 0.73592700736777 15.999 > 53 57 O 0.36718624256080 0.37500000000000 0.00377524149982 15.999 > 57 58 O 0.86718624256080 0.37500000000000 0.00377524149982 15.999 > 57 59 O 0.36718624256080 0.87500000000000 0.00377524149982 15.999 > 57 60 O 0.86718624256080 0.87500000000000 0.00377524149982 15.999 > 57 61 O 0.13281375743920 0.37500000000000 0.00377524149982 15.999 > 61 62 O 0.63281375743920 0.37500000000000 0.00377524149982 15.999 > 61 63 O 0.13281375743920 0.87500000000000 0.00377524149982 15.999 > 61 64 O 0.63281375743920 0.87500000000000 0.00377524149982 15.999 > 61 65 O 0.11718624256080 0.37500000000000 0.49622475850018 15.999 > 33 66 O 0.61718624256080 0.37500000000000 0.49622475850018 15.999 > 33 67 O 0.11718624256080 0.87500000000000 0.49622475850018 15.999 > 33 68 O 0.61718624256080 0.87500000000000 0.49622475850018 15.999 > 33 69 O 0.25000000000000 0.00923610862595 0.76407299263223 15.999 > 37 70 O 0.75000000000000 0.00923610862595 0.76407299263223 15.999 > 37 71 O 0.25000000000000 0.50923610862595 0.76407299263223 15.999 > 37 72 O 0.75000000000000 0.50923610862595 0.76407299263223 15.999 > 37 73 O 0.38281375743920 0.37500000000000 0.49622475850018 15.999 > 41 74 O 0.88281375743920 0.37500000000000 0.49622475850018 15.999 > 41 75 O 0.38281375743920 0.87500000000000 0.49622475850018 15.999 > 41 76 O 0.88281375743920 0.87500000000000 0.49622475850018 15.999 > 41 77 O 0.00000000000000 0.49076389137405 0.26407299263223 15.999 > 45 78 O 0.50000000000000 0.49076389137405 0.26407299263223 15.999 > 45 79 O 0.00000000000000 0.99076389137405 0.26407299263223 15.999 > 45 80 O 0.50000000000000 0.99076389137405 0.26407299263223 15.999 > 45 81 O 0.00000000000000 0.00923610862595 0.73592700736777 15.999 > 49 82 O 0.50000000000000 0.00923610862595 0.73592700736777 15.999 > 49 83 O 0.00000000000000 0.50923610862595 0.73592700736777 15.999 > 49 84 O 0.50000000000000 0.50923610862595 0.73592700736777 15.999 > 49 85 O 0.25000000000000 0.49076389137405 0.23592700736777 15.999 > 53 86 O 0.75000000000000 0.49076389137405 0.23592700736777 15.999 > 53 87 O 0.25000000000000 0.99076389137405 0.23592700736777 15.999 > 53 88 O 0.75000000000000 0.99076389137405 0.23592700736777 15.999 > 53 89 O 0.11718624256080 0.12500000000000 0.50377524149982 15.999 > 57 90 O 0.61718624256080 0.12500000000000 0.50377524149982 15.999 > 57 91 O 0.11718624256080 0.62500000000000 0.50377524149982 15.999 > 57 92 O 0.61718624256080 0.62500000000000 0.50377524149982 15.999 > 57 93 O 0.38281375743920 0.12500000000000 0.50377524149982 15.999 > 61 94 O 0.88281375743920 0.12500000000000 0.50377524149982 15.999 > 61 95 O 0.38281375743920 0.62500000000000 0.50377524149982 15.999 > 61 96 O 0.88281375743920 0.62500000000000 0.50377524149982 15.999 > 61 97 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 97 98 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 97 99 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 97 100 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 97 101 Sn 0.25000000000000 0.25000000000000 0.00000000000000 118.710 > 101 102 Sn 0.75000000000000 0.25000000000000 0.00000000000000 118.710 > 101 103 Sn 0.25000000000000 0.75000000000000 0.00000000000000 118.710 > 101 104 Sn 0.75000000000000 0.75000000000000 0.00000000000000 118.710 > 101 105 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 97 106 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 97 107 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 97 108 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 97 109 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 101 110 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 101 111 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 101 112 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3225124 0.0000000 0.0000000 0.0000000 3.6858504 0.0000000 0.0000000 0.0000000 3.5285486 -------------------------- Born effective charges -------------------------- 1 Mg 2.3022262 0.0000000 0.0000000 0.0000000 1.8974861 0.0000000 0.0000000 0.0000000 2.1502416 2 Mg 2.3022262 0.0000000 0.0000000 0.0000000 1.8974861 0.0000000 0.0000000 0.0000000 2.1502416 3 Mg 2.0032316 0.0000000 -0.4697105 0.0000000 1.9199491 0.0000000 -0.6038347 0.0000000 1.9307237 4 Mg 2.0032316 0.0000000 0.4697105 0.0000000 1.9199491 0.0000000 0.6038347 0.0000000 1.9307237 5 O -1.9777753 0.0000000 -0.1018547 0.0000000 -2.2365552 0.0000000 -0.0844493 0.0000000 -1.6948172 6 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 -0.0653825 0.0000000 -0.0772856 -2.0637348 7 O -1.9777753 0.0000000 0.1018547 0.0000000 -2.2365552 0.0000000 0.0844493 0.0000000 -1.6948172 8 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 0.0653825 0.0000000 0.0772856 -2.0637348 9 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 0.0653825 0.0000000 0.0772856 -2.0637348 10 O -1.5932618 0.0000000 0.0000000 0.0000000 -1.8685352 -0.0653825 0.0000000 -0.0772856 -2.0637348 11 O -1.9777753 0.0000000 0.1018547 0.0000000 -2.2365552 0.0000000 0.0844493 0.0000000 -1.6948172 12 O -1.9777753 0.0000000 -0.1018547 0.0000000 -2.2365552 0.0000000 -0.0844493 0.0000000 -1.6948172 13 Sn 2.8366164 0.0000000 0.0000000 0.0000000 4.3927456 -0.1439596 0.0000000 -0.1413768 3.4361387 14 Sn 2.8366164 0.0000000 0.0000000 0.0000000 4.3927456 0.1439596 0.0000000 0.1413768 3.4361387 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 8 48 ] Grid generation matrix: [ 0 8 8 ] [ 8 0 8 ] [ 6 6 0 ] 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: 0.76, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 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 3.504 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.691 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.543 ( 0.000 0.000 0.000) 0.000 11.603 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.742 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 11.890 ( 0.000 0.000 0.000) 0.000 12.187 ( 0.000 0.000 0.000) 0.000 12.375 ( 0.000 0.000 0.000) 0.000 13.721 ( 0.000 0.000 0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 13.774 ( 0.000 0.000 0.000) 0.000 14.288 ( 0.000 0.000 0.000) 0.000 14.696 ( 0.000 0.000 0.000) 0.000 14.940 ( 0.000 0.000 0.000) 0.000 14.966 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 0.000 0.000) 0.000 15.731 ( 0.000 0.000 0.000) 0.000 15.822 ( 0.000 0.000 0.000) 0.000 16.746 ( 0.000 0.000 0.000) 0.000 17.250 ( 0.000 0.000 0.000) 0.000 17.947 ( 0.000 0.000 0.000) 0.000 18.336 ( 0.000 0.000 0.000) 0.000 18.955 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 0.000 -0.000 -0.000) 0.000 3.341 ( 0.000 -0.000 -0.000) 0.000 3.472 ( -0.000 0.000 0.000) 0.000 3.478 ( -0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 -0.000 0.000) 0.000 6.197 ( 0.000 -0.000 0.000) 0.000 6.593 ( -0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.695 ( -0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 -0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 9.177 ( -0.000 0.000 -0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 10.233 ( 0.000 -0.000 -0.000) 0.000 10.323 ( -0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.681 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 12.328 ( 0.000 0.000 0.000) 0.000 12.552 ( -0.000 0.000 -0.000) 0.000 12.690 ( 0.000 0.000 0.000) 0.000 13.051 ( -0.000 0.000 0.000) 0.000 13.195 ( -0.000 -0.000 -0.000) 0.000 13.367 ( 0.000 0.000 0.000) 0.000 13.792 ( -0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 14.214 ( -0.000 -0.000 -0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 15.299 ( 0.000 0.000 0.000) 0.000 15.507 ( 0.000 0.000 0.000) 0.000 15.681 ( 0.000 -0.000 0.000) 0.000 16.024 ( -0.000 0.000 0.000) 0.000 16.242 ( 0.000 -0.000 0.000) 0.000 16.835 ( 0.000 0.000 0.000) 0.000 18.507 ( -0.000 0.000 0.000) 0.000 18.758 ( -0.000 0.000 0.000) 0.000 19.374 ( -0.000 0.000 0.000) 0.000 19.443 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 3 (3/148) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 10.594 -12.290 -12.651) 20.575 3.131 ( 10.855 -12.391 -21.007) 26.696 3.606 ( 3.687 3.586 -2.025) 5.528 3.854 ( 5.285 17.663 -2.320) 18.582 4.640 ( 23.781 2.774 3.293) 24.168 5.085 ( -2.947 -30.991 -5.293) 31.578 6.185 ( -5.980 5.168 -7.192) 10.686 6.663 ( -8.248 8.474 -4.458) 12.638 7.428 ( -1.880 -20.491 3.397) 20.856 7.584 ( 3.050 -0.166 -3.136) 4.378 7.968 ( -4.420 -19.271 -10.407) 22.344 8.222 ( 13.678 -1.728 -4.939) 14.645 8.851 ( -2.080 -2.964 3.798) 5.247 8.929 ( -2.471 2.457 -6.582) 7.447 9.483 ( -1.014 30.961 18.229) 35.943 9.664 ( 9.432 0.115 1.869) 9.616 10.127 ( 4.817 -10.246 -5.902) 12.768 10.491 ( -1.742 6.140 2.691) 6.926 10.652 ( -2.910 5.592 7.331) 9.668 10.762 ( 4.788 10.138 0.592) 11.227 11.118 ( -1.269 -0.182 3.881) 4.087 11.716 ( 4.023 -0.580 -0.937) 4.172 12.226 ( -13.854 1.510 -1.158) 13.984 12.434 ( -2.136 -6.748 -0.598) 7.103 12.542 ( -3.689 -3.426 -1.885) 5.376 12.811 ( -0.477 -11.585 3.189) 12.025 13.245 ( -4.925 -6.753 -5.438) 9.971 13.396 ( 1.315 3.008 11.544) 12.002 13.947 ( 4.177 7.829 -12.203) 15.088 14.174 ( 8.488 4.219 -9.029) 13.090 14.344 ( -3.506 8.093 7.218) 11.397 14.757 ( 3.496 0.001 2.211) 4.136 15.286 ( -1.338 -2.088 0.169) 2.486 15.534 ( 0.610 0.788 -1.437) 1.748 15.711 ( 4.499 -2.590 -9.397) 10.735 15.922 ( 3.805 -9.328 11.534) 15.314 16.293 ( 0.880 2.973 -10.379) 10.832 16.873 ( 1.286 2.475 -0.658) 2.865 18.409 ( -2.258 -9.494 0.615) 9.778 18.714 ( -0.111 -5.676 0.559) 5.705 19.085 ( -2.218 -7.635 -0.962) 8.008 19.713 ( -5.620 17.965 2.538) 18.994 ======================= Grid point 4 (4/148) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 27.064 30.901 0.000) 41.077 1.228 ( 33.000 25.211 0.000) 41.528 1.879 ( 36.354 54.528 0.000) 65.536 3.536 ( 2.660 0.138 0.000) 2.664 3.807 ( 2.807 3.413 0.000) 4.419 4.943 ( 19.733 -3.009 0.000) 19.961 6.149 ( -3.363 20.765 -0.000) 21.035 6.366 ( 2.271 -5.622 0.000) 6.063 7.111 ( -14.556 2.654 -0.000) 14.796 7.376 ( -3.824 -3.447 -0.000) 5.149 7.578 ( -18.099 5.384 -0.000) 18.882 8.004 ( 21.569 -6.012 0.000) 22.392 8.136 ( 10.029 -11.355 0.000) 15.150 8.918 ( 20.852 0.180 0.000) 20.853 8.944 ( 20.260 13.033 0.000) 24.090 9.981 ( -1.735 6.214 -0.000) 6.452 10.974 ( 3.085 -9.102 0.000) 9.611 11.146 ( -6.863 -7.551 -0.000) 10.204 11.376 ( -6.409 -10.341 -0.000) 12.166 11.542 ( 2.471 -7.214 0.000) 7.625 11.573 ( -5.091 1.711 -0.000) 5.371 11.626 ( 2.606 -5.824 0.000) 6.381 11.866 ( -0.969 7.061 -0.000) 7.127 12.012 ( 9.844 2.792 0.000) 10.232 12.022 ( 0.111 10.955 -0.000) 10.955 12.128 ( -4.736 -9.215 -0.000) 10.361 13.266 ( -23.708 -4.150 -0.000) 24.069 13.687 ( -1.306 -0.542 -0.000) 1.414 13.999 ( 11.005 -2.887 0.000) 11.377 14.221 ( 2.808 -5.912 0.000) 6.545 14.724 ( -0.625 1.871 -0.000) 1.973 14.856 ( -37.400 42.593 -0.000) 56.683 14.979 ( 4.901 -2.962 0.000) 5.727 15.082 ( 3.264 9.169 0.000) 9.733 15.478 ( 11.804 -1.275 0.000) 11.873 15.845 ( -1.510 3.429 -0.000) 3.747 16.756 ( -1.912 2.952 -0.000) 3.517 17.062 ( 10.512 -10.389 0.000) 14.780 17.976 ( -2.675 4.830 -0.000) 5.522 18.382 ( 0.729 4.268 -0.000) 4.330 18.955 ( 1.707 -2.598 0.000) 3.108 19.751 ( -4.447 -4.666 -0.000) 6.445 ======================= Grid point 5 (5/148) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 21.771 26.700 0.000) 34.451 2.324 ( 27.135 20.909 0.000) 34.256 3.588 ( 20.467 47.861 0.000) 52.054 3.605 ( 4.085 -0.198 0.000) 4.090 3.961 ( 10.098 4.737 0.000) 11.153 5.443 ( 31.589 -0.423 0.000) 31.592 6.215 ( 0.820 -10.696 0.000) 10.727 6.615 ( -1.540 29.118 -0.000) 29.159 7.095 ( -3.821 12.868 -0.000) 13.424 7.265 ( -3.321 0.552 -0.000) 3.366 7.316 ( -21.228 9.423 -0.000) 23.226 8.006 ( 6.002 -16.606 0.000) 17.657 8.358 ( 20.159 -3.022 0.000) 20.384 9.468 ( 31.665 -2.576 0.000) 31.770 9.609 ( 16.558 10.378 0.000) 19.542 9.968 ( -9.540 3.041 -0.000) 10.013 10.701 ( -7.283 -9.566 -0.000) 12.023 10.869 ( -1.788 -18.634 0.000) 18.719 10.950 ( -13.268 -9.939 -0.000) 16.577 11.353 ( -3.558 -9.903 -0.000) 10.523 11.400 ( -3.597 -6.797 -0.000) 7.690 11.445 ( -5.793 -2.807 -0.000) 6.437 11.888 ( -0.050 -6.600 0.000) 6.601 12.104 ( 8.481 5.967 0.000) 10.370 12.258 ( 0.092 9.626 -0.000) 9.626 12.384 ( 0.804 20.465 -0.000) 20.481 12.650 ( -22.789 -5.907 -0.000) 23.542 13.687 ( -2.892 4.829 -0.000) 5.629 14.081 ( 5.016 -5.806 0.000) 7.672 14.189 ( 6.604 -9.925 0.000) 11.922 14.752 ( 0.658 2.431 0.000) 2.518 14.972 ( -13.132 20.432 -0.000) 24.288 15.113 ( 13.046 -0.640 0.000) 13.062 15.390 ( 4.422 12.875 0.000) 13.613 15.721 ( 15.290 -2.605 0.000) 15.510 15.874 ( -3.765 4.378 -0.000) 5.774 16.785 ( -2.938 4.896 -0.000) 5.709 17.073 ( 3.730 -3.139 0.000) 4.875 17.988 ( -5.556 4.355 -0.000) 7.059 18.556 ( 1.347 10.897 -0.000) 10.980 18.851 ( -2.131 -9.565 -0.000) 9.799 19.527 ( -3.268 -7.943 -0.000) 8.589 ======================= Grid point 6 (6/148) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 10.963 -14.565 -16.559) 24.628 3.263 ( 16.316 -15.886 -20.446) 30.604 3.613 ( -3.530 -4.011 -7.897) 9.535 4.138 ( 4.539 -3.665 -7.146) 9.225 4.664 ( 5.409 -0.729 -9.609) 11.051 5.240 ( 24.473 -0.451 2.170) 24.573 6.121 ( -7.214 0.787 -2.011) 7.530 6.576 ( 0.770 -8.787 -4.873) 10.077 6.911 ( -1.826 -13.547 -3.679) 14.156 7.183 ( -10.637 -19.532 -0.462) 22.246 8.020 ( 0.946 3.042 -6.934) 7.631 8.370 ( 6.778 6.214 -7.451) 11.835 8.947 ( 11.902 7.451 -7.834) 16.079 9.258 ( 17.827 4.517 3.306) 18.685 9.741 ( -1.014 -1.286 -4.277) 4.580 9.835 ( -3.898 7.962 23.149) 24.788 10.123 ( 7.453 -6.276 -2.848) 10.151 10.499 ( -5.342 11.224 8.766) 15.211 10.739 ( -4.742 7.777 9.053) 12.842 11.075 ( 4.104 3.842 -4.743) 7.355 11.197 ( 3.401 10.880 6.035) 12.899 11.692 ( -3.613 -4.693 -0.088) 5.924 11.915 ( -14.421 1.538 -5.043) 15.354 12.283 ( 1.327 -7.361 -2.764) 7.974 12.410 ( -0.855 -7.165 2.222) 7.550 12.697 ( -2.967 1.482 3.147) 4.572 12.820 ( -10.143 -13.663 -3.888) 17.456 13.461 ( 0.287 0.938 2.502) 2.688 14.192 ( 6.263 2.632 -4.486) 8.141 14.316 ( -0.880 2.339 7.158) 7.582 14.557 ( 4.647 11.885 -13.160) 18.331 14.850 ( 4.153 -0.201 5.245) 6.694 15.042 ( -6.982 -10.680 -4.492) 13.527 15.561 ( 0.428 -0.870 -0.911) 1.331 15.710 ( 3.552 -5.961 -12.933) 14.677 15.926 ( 6.435 -2.133 11.032) 12.949 16.411 ( 5.442 2.723 -11.116) 12.673 16.995 ( 3.002 5.682 -0.981) 6.501 18.035 ( -9.046 -13.240 3.223) 16.356 18.453 ( -2.171 -16.235 -0.493) 16.387 19.134 ( 5.976 5.785 0.848) 8.361 19.898 ( -9.128 15.438 1.826) 18.028 ======================= Grid point 7 (7/148) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 10.171 -7.350 -11.845) 17.256 2.897 ( 1.690 -27.694 -14.092) 31.119 3.412 ( -5.504 -3.587 -5.585) 8.623 4.408 ( 12.144 9.833 -6.354) 16.868 4.850 ( 4.732 0.929 -5.464) 7.288 5.424 ( 1.265 -4.397 -1.110) 4.708 5.812 ( -7.588 -14.913 0.427) 16.737 6.418 ( 2.327 -4.231 -4.182) 6.388 6.616 ( -7.189 -13.506 -1.885) 15.416 7.172 ( 20.204 7.462 2.181) 21.648 8.029 ( 3.469 -0.300 -5.059) 6.142 8.737 ( 2.225 9.337 -9.586) 13.565 9.394 ( 11.066 10.389 -13.967) 20.626 9.447 ( -10.574 2.822 6.716) 12.841 9.817 ( -0.139 6.066 20.341) 21.226 9.895 ( 9.803 -0.613 1.827) 9.991 10.012 ( 9.378 -11.714 1.497) 15.080 10.738 ( 5.726 -2.344 -1.433) 6.351 10.794 ( -2.106 13.131 6.814) 14.943 11.215 ( -3.727 4.652 2.789) 6.581 11.329 ( -7.144 1.388 -5.623) 9.197 11.439 ( -7.379 -2.361 4.622) 9.021 11.803 ( -2.361 3.544 -1.113) 4.402 12.165 ( 1.386 -6.373 -0.972) 6.594 12.246 ( -3.260 -3.654 -0.716) 4.949 12.335 ( -10.218 -5.247 3.808) 12.101 12.734 ( 1.676 -2.333 -6.636) 7.232 13.438 ( -3.229 0.383 2.169) 3.908 14.285 ( 3.957 -0.369 1.720) 4.331 14.378 ( 3.941 -2.509 1.372) 4.869 14.692 ( -3.246 -6.829 -2.991) 8.131 14.853 ( 4.040 6.444 -9.190) 11.929 14.979 ( -0.615 6.738 0.822) 6.816 15.470 ( -3.249 -4.594 -1.784) 5.903 15.620 ( 1.738 -7.640 -6.996) 10.504 16.027 ( 3.452 0.709 7.090) 7.917 16.605 ( 6.785 2.664 -8.027) 10.843 17.227 ( 5.568 8.167 -1.955) 10.076 17.633 ( -9.786 -4.927 4.583) 11.876 18.038 ( -3.343 -18.400 0.258) 18.703 19.446 ( 11.312 5.630 0.168) 12.636 19.933 ( -11.381 8.485 1.458) 14.270 ======================= Grid point 8 (8/148) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 15.750 11.830 0.000) 19.698 3.120 ( 12.185 16.529 0.000) 20.535 3.711 ( 4.330 2.690 0.000) 5.098 3.926 ( 1.112 -0.317 0.000) 1.156 4.983 ( 9.105 39.093 0.000) 40.140 6.008 ( 4.934 -17.146 0.000) 17.842 6.179 ( 32.872 4.455 0.000) 33.173 7.054 ( 7.523 0.073 0.000) 7.523 7.086 ( -20.681 13.403 -0.000) 24.645 7.282 ( -3.974 3.187 -0.000) 5.094 7.476 ( 2.736 31.330 -0.000) 31.450 7.862 ( 6.334 -2.376 0.000) 6.765 8.574 ( 9.564 -11.633 0.000) 15.060 9.412 ( -22.016 -15.275 -0.000) 26.796 9.956 ( 24.825 -11.906 0.000) 27.532 10.176 ( 9.636 6.318 0.000) 11.522 10.394 ( -2.242 -7.506 -0.000) 7.834 10.498 ( 5.267 -9.425 0.000) 10.797 10.501 ( -16.087 -2.891 -0.000) 16.345 11.074 ( -18.281 -2.264 -0.000) 18.421 11.249 ( 1.490 -2.190 0.000) 2.649 11.305 ( 1.375 -5.517 0.000) 5.686 11.787 ( 4.282 -7.323 0.000) 8.483 12.056 ( -17.241 -1.695 -0.000) 17.324 12.423 ( 7.874 5.523 0.000) 9.618 12.508 ( -0.368 6.321 -0.000) 6.332 12.816 ( -0.124 22.824 -0.000) 22.824 13.764 ( -4.139 10.511 -0.000) 11.296 13.839 ( -4.676 -16.608 -0.000) 17.254 14.109 ( 7.278 -14.025 0.000) 15.801 14.907 ( 5.022 6.713 0.000) 8.383 15.100 ( -5.226 10.234 -0.000) 11.491 15.388 ( 13.023 -2.853 0.000) 13.332 15.667 ( -2.369 4.991 -0.000) 5.524 15.922 ( -2.612 12.873 -0.000) 13.135 16.038 ( 19.862 -3.566 0.000) 20.180 16.840 ( -2.967 7.964 -0.000) 8.499 17.087 ( 1.153 -0.989 0.000) 1.519 17.938 ( -6.857 4.941 -0.000) 8.452 18.462 ( -6.976 -17.667 -0.000) 18.994 18.841 ( 1.158 13.868 -0.000) 13.916 19.332 ( 0.132 -9.188 0.000) 9.189 ======================= Grid point 9 (9/148) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( -0.383 -0.184 -0.000) 0.425 3.400 ( 0.383 0.184 0.000) 0.425 3.877 ( -0.215 -6.436 0.000) 6.439 3.877 ( 0.215 6.436 -0.000) 6.439 5.669 ( 5.041 -28.321 0.000) 28.766 5.669 ( -5.041 28.321 -0.000) 28.766 6.823 ( -24.196 1.181 -0.000) 24.225 6.823 ( 24.196 -1.181 0.000) 24.225 7.137 ( -4.621 -0.064 -0.000) 4.622 7.137 ( 4.621 0.064 0.000) 4.622 8.212 ( -3.625 -15.041 -0.000) 15.471 8.212 ( 3.625 15.041 0.000) 15.471 8.459 ( -21.287 -25.767 -0.000) 33.422 8.459 ( 21.287 25.767 0.000) 33.422 10.149 ( -17.038 5.868 -0.000) 18.020 10.149 ( 17.038 -5.868 0.000) 18.020 10.368 ( -0.240 -0.099 -0.000) 0.260 10.368 ( 0.240 0.099 0.000) 0.260 10.668 ( -18.109 2.238 -0.000) 18.246 10.668 ( 18.109 -2.238 0.000) 18.246 11.262 ( -0.571 -0.748 -0.000) 0.941 11.262 ( 0.571 0.748 0.000) 0.941 11.803 ( -10.296 4.843 -0.000) 11.378 11.803 ( 10.296 -4.843 0.000) 11.378 12.566 ( -1.994 0.948 -0.000) 2.208 12.566 ( 1.994 -0.948 0.000) 2.208 13.329 ( -5.340 -21.901 -0.000) 22.543 13.329 ( 5.340 21.901 0.000) 22.543 13.933 ( 5.261 -15.184 0.000) 16.070 13.933 ( -5.261 15.184 -0.000) 16.070 15.112 ( -4.588 -0.558 -0.000) 4.622 15.112 ( 4.588 0.558 0.000) 4.622 15.552 ( -9.541 1.709 -0.000) 9.693 15.552 ( 9.541 -1.709 0.000) 9.693 16.163 ( 7.890 -14.684 0.000) 16.670 16.163 ( -7.890 14.684 -0.000) 16.670 17.017 ( -2.114 -6.743 -0.000) 7.066 17.017 ( 2.114 6.743 0.000) 7.066 18.023 ( 0.245 -14.257 0.000) 14.259 18.023 ( -0.245 14.257 -0.000) 14.259 19.122 ( -0.137 -12.206 0.000) 12.207 19.122 ( 0.137 12.206 -0.000) 12.207 ======================= Grid point 11 (10/148) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.000 -0.000 -0.000) 0.000 2.662 ( 0.000 -0.000 -0.000) 0.000 3.311 ( 0.000 -0.000 -0.000) 0.000 4.711 ( 0.000 -0.000 -0.000) 0.000 4.907 ( 0.000 -0.000 -0.000) 0.000 5.352 ( 0.000 -0.000 -0.000) 0.000 5.485 ( 0.000 -0.000 -0.000) 0.000 6.386 ( 0.000 -0.000 -0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 -0.000 -0.000) 0.000 8.143 ( 0.000 -0.000 -0.000) 0.000 8.751 ( 0.000 -0.000 -0.000) 0.000 9.263 ( 0.000 -0.000 -0.000) 0.000 9.759 ( -0.000 0.000 0.000) 0.000 9.817 ( 0.000 -0.000 -0.000) 0.000 9.985 ( 0.000 -0.000 -0.000) 0.000 10.128 ( -0.000 -0.000 -0.000) 0.000 10.792 ( 0.000 -0.000 -0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 11.079 ( 0.000 -0.000 -0.000) 0.000 11.322 ( 0.000 0.000 0.000) 0.000 11.325 ( -0.000 -0.000 -0.000) 0.000 11.815 ( 0.000 -0.000 -0.000) 0.000 12.137 ( 0.000 -0.000 -0.000) 0.000 12.175 ( 0.000 -0.000 -0.000) 0.000 12.199 ( 0.000 -0.000 -0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 13.399 ( 0.000 -0.000 -0.000) 0.000 14.356 ( -0.000 0.000 0.000) 0.000 14.358 ( 0.000 -0.000 -0.000) 0.000 14.600 ( 0.000 0.000 0.000) 0.000 14.928 ( 0.000 -0.000 -0.000) 0.000 15.145 ( 0.000 -0.000 -0.000) 0.000 15.302 ( -0.000 -0.000 -0.000) 0.000 15.557 ( 0.000 -0.000 -0.000) 0.000 16.071 ( 0.000 -0.000 -0.000) 0.000 16.719 ( 0.000 -0.000 -0.000) 0.000 17.407 ( 0.000 -0.000 -0.000) 0.000 17.597 ( -0.000 0.000 0.000) 0.000 17.650 ( 0.000 -0.000 -0.000) 0.000 19.756 ( 0.000 -0.000 -0.000) 0.000 19.772 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 19 (11/148) ======================= q-point: (-0.15 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.000 -18.226 -30.166) 35.245 1.101 ( -0.000 -29.385 -25.266) 38.754 2.042 ( 0.000 -58.168 -41.675) 71.557 3.557 ( -0.000 0.520 -4.954) 4.981 3.843 ( -0.000 -2.629 -6.492) 7.004 4.696 ( -0.000 2.676 2.008) 3.346 6.165 ( 0.000 -20.366 2.558) 20.526 6.437 ( -0.000 5.765 -7.535) 9.487 7.099 ( 0.000 3.459 16.924) 17.274 7.462 ( 0.000 -9.697 2.030) 9.907 7.588 ( -0.000 -1.104 -2.216) 2.476 7.835 ( -0.000 11.098 -7.534) 13.414 8.442 ( -0.000 -5.531 -27.445) 27.996 8.658 ( 0.000 -9.586 0.645) 9.607 8.705 ( 0.000 -3.352 -1.323) 3.604 9.953 ( 0.000 -6.727 4.007) 7.830 10.908 ( -0.000 7.212 0.488) 7.228 11.151 ( -0.000 10.834 2.639) 11.151 11.379 ( -0.000 14.500 7.539) 16.342 11.530 ( -0.000 4.357 3.150) 5.376 11.551 ( -0.000 12.224 6.936) 14.055 11.681 ( 0.000 0.322 0.596) 0.677 11.779 ( -0.000 -5.003 -5.436) 7.388 11.936 ( 0.000 -16.363 0.870) 16.387 12.157 ( -0.000 -2.204 -12.984) 13.170 12.277 ( -0.000 3.096 -7.584) 8.192 13.546 ( 0.000 -0.572 12.279) 12.292 13.658 ( 0.000 1.290 4.683) 4.858 13.760 ( -0.000 1.316 -5.160) 5.325 14.222 ( -0.000 11.513 -3.928) 12.165 14.738 ( 0.000 -4.586 -0.731) 4.644 14.900 ( -0.000 3.975 2.627) 4.765 15.058 ( 0.000 -8.082 -1.862) 8.294 15.335 ( 0.000 0.514 0.974) 1.101 15.570 ( 0.000 -45.381 40.920) 61.105 15.706 ( -0.000 2.650 -0.125) 2.653 15.941 ( 0.000 -6.180 -3.657) 7.181 17.098 ( -0.000 7.102 -1.968) 7.369 18.005 ( 0.000 -6.098 -1.003) 6.180 18.201 ( 0.000 -15.553 3.559) 15.955 18.969 ( -0.000 1.310 -2.610) 2.920 20.374 ( -0.000 27.496 -20.769) 34.459 ======================= Grid point 20 (12/148) ======================= q-point: ( 0.35 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.000 20.726 14.534) 25.314 2.702 ( -0.000 30.602 9.964) 32.183 3.529 ( 0.000 -4.314 1.554) 4.585 3.827 ( 0.000 -7.175 -4.545) 8.493 4.458 ( 0.000 -5.308 -3.702) 6.471 4.891 ( -0.000 47.896 15.933) 50.477 6.134 ( 0.000 -11.426 4.970) 12.460 6.721 ( -0.000 -1.751 -2.989) 3.464 7.494 ( -0.000 25.807 -0.932) 25.823 7.497 ( 0.000 -4.328 2.267) 4.886 7.885 ( 0.000 3.451 7.828) 8.555 7.906 ( -0.000 16.031 6.178) 17.180 8.691 ( 0.000 1.854 2.539) 3.144 9.147 ( 0.000 0.889 22.226) 22.244 9.260 ( -0.000 8.533 -3.699) 9.300 9.976 ( 0.000 -34.336 -23.468) 41.590 10.059 ( -0.000 3.791 -3.457) 5.130 10.563 ( 0.000 -8.798 -1.272) 8.889 10.716 ( -0.000 -6.225 -5.141) 8.073 10.852 ( 0.000 -8.553 -5.935) 10.410 11.207 ( 0.000 -4.903 -2.827) 5.660 11.671 ( -0.000 0.971 -1.672) 1.934 12.260 ( 0.000 -6.035 12.970) 14.306 12.284 ( 0.000 7.490 12.326) 14.423 12.671 ( -0.000 16.682 -8.713) 18.820 12.742 ( 0.000 11.174 10.164) 15.105 13.294 ( 0.000 -5.201 -3.321) 6.172 13.588 ( 0.000 -9.755 -4.814) 10.878 13.806 ( -0.000 4.059 -4.773) 6.265 13.855 ( 0.000 1.608 9.956) 10.085 14.521 ( 0.000 -9.991 -6.025) 11.668 14.770 ( -0.000 -0.642 -2.671) 2.747 15.302 ( -0.000 0.043 -0.583) 0.584 15.486 ( -0.000 8.792 5.513) 10.378 15.549 ( 0.000 -3.899 0.168) 3.902 16.038 ( -0.000 2.416 -0.458) 2.459 16.245 ( -0.000 10.844 -11.691) 15.946 16.908 ( -0.000 -1.365 -5.092) 5.271 18.388 ( -0.000 6.425 4.542) 7.868 18.722 ( -0.000 6.684 -0.467) 6.700 19.038 ( -0.000 7.470 5.871) 9.501 19.766 ( 0.000 -18.613 4.605) 19.175 ======================= Grid point 21 (13/148) ======================= q-point: ( 0.35 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 13.841 13.055 0.627) 19.037 3.363 ( 4.804 27.502 -0.356) 27.921 3.536 ( 5.840 -0.283 0.227) 5.851 3.725 ( 4.322 -4.279 -13.589) 14.888 4.624 ( 23.835 -3.052 -1.323) 24.066 5.519 ( -2.677 -2.488 -1.784) 4.067 5.981 ( -6.553 17.619 10.105) 21.342 6.609 ( -4.950 -0.241 -8.344) 9.705 7.504 ( 1.035 -2.154 3.222) 4.012 7.646 ( 1.142 1.394 -0.085) 1.804 8.145 ( 13.462 0.722 6.668) 15.040 8.375 ( -6.850 30.542 10.024) 32.867 8.723 ( -5.735 -9.728 -1.286) 11.366 8.880 ( -4.694 3.029 7.837) 9.624 9.210 ( 2.040 -20.825 -15.440) 26.005 9.693 ( 10.365 -4.578 -3.885) 11.979 10.229 ( 5.692 10.182 5.707) 12.986 10.394 ( -0.574 -7.884 -1.762) 8.099 10.625 ( 1.489 -6.962 -1.774) 7.337 10.722 ( -2.494 -0.510 -6.659) 7.129 11.113 ( 0.390 -3.165 0.912) 3.317 11.747 ( 3.913 0.939 -2.408) 4.690 12.106 ( -8.514 0.218 9.825) 13.003 12.334 ( -4.002 3.051 9.895) 11.101 12.692 ( -13.138 -1.525 -5.499) 14.324 12.893 ( -1.067 -1.301 11.077) 11.204 13.158 ( 3.967 -0.456 1.637) 4.316 13.500 ( 2.275 -3.475 -7.889) 8.915 13.923 ( -3.896 7.461 4.233) 9.422 14.036 ( 3.942 5.912 -2.162) 7.427 14.416 ( 6.750 -2.336 -10.570) 12.757 14.780 ( 3.880 -1.511 -2.808) 5.022 15.313 ( 0.243 -0.407 -0.854) 0.977 15.510 ( 2.301 0.628 1.441) 2.786 15.715 ( 4.912 5.556 3.091) 8.034 15.994 ( 1.522 -5.455 0.054) 5.663 16.453 ( 0.423 7.337 -16.417) 17.987 16.908 ( 0.229 1.183 -6.417) 6.529 18.460 ( 0.296 0.086 5.689) 5.698 18.725 ( -2.467 -2.438 2.387) 4.210 19.240 ( -4.407 8.653 5.660) 11.240 19.370 ( -4.144 -8.691 3.524) 10.254 ======================= Grid point 22 (14/148) ======================= q-point: (-0.15 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 26.660 -0.000 -22.290) 34.751 1.050 ( 17.825 -0.000 -33.038) 37.540 1.935 ( 48.675 -0.000 -43.876) 65.531 3.516 ( -2.744 0.000 -0.402) 2.773 3.913 ( 8.484 -0.000 -12.636) 15.220 4.953 ( 18.483 -0.000 2.742) 18.685 5.924 ( -1.695 0.000 -0.097) 1.698 6.494 ( 1.708 -0.000 -5.838) 6.083 7.050 ( -7.536 0.000 20.347) 21.698 7.064 ( -19.409 0.000 2.172) 19.530 7.734 ( -4.142 -0.000 -4.703) 6.267 8.103 ( 17.638 -0.000 -3.006) 17.893 8.537 ( 11.213 -0.000 -21.372) 24.135 8.727 ( 18.884 -0.000 3.607) 19.226 8.924 ( 20.181 -0.000 -1.204) 20.217 9.874 ( -1.237 0.000 3.862) 4.055 11.038 ( 2.702 0.000 3.024) 4.055 11.202 ( -8.004 0.000 1.874) 8.220 11.471 ( -11.065 0.000 7.162) 13.181 11.569 ( -2.529 0.000 -0.730) 2.633 11.626 ( 0.154 0.000 1.418) 1.426 11.651 ( -2.309 0.000 8.535) 8.842 11.706 ( 2.021 -0.000 -2.800) 3.453 11.876 ( 5.142 -0.000 -2.037) 5.531 12.155 ( -5.457 -0.000 -4.648) 7.169 12.331 ( -2.206 0.000 0.197) 2.215 13.289 ( -20.906 0.000 2.377) 21.041 13.714 ( -0.999 0.000 3.608) 3.744 13.872 ( 6.476 -0.000 -3.777) 7.497 14.133 ( -1.190 -0.000 -6.743) 6.847 14.382 ( -1.646 -0.000 -9.661) 9.801 14.719 ( -0.669 -0.000 -0.615) 0.909 14.986 ( 4.156 0.000 2.412) 4.805 15.026 ( 3.270 -0.000 -4.513) 5.573 15.491 ( 7.053 -0.000 -0.150) 7.055 15.908 ( 2.574 -0.000 -8.627) 9.003 16.265 ( 21.979 0.000 27.442) 35.158 17.219 ( -0.061 0.000 2.215) 2.216 17.945 ( -2.788 -0.000 -2.103) 3.492 18.019 ( 5.448 0.000 9.081) 10.590 19.026 ( 4.173 -0.000 -3.000) 5.139 20.388 ( -24.780 -0.000 -22.123) 33.219 ======================= Grid point 23 (15/148) ======================= q-point: (-0.15 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 31.505 18.803 -0.927) 36.701 1.943 ( 20.875 30.086 -16.135) 40.016 3.113 ( 39.773 16.671 -25.130) 49.913 3.516 ( 0.625 2.511 5.464) 6.046 4.111 ( 11.119 -0.706 -15.146) 18.802 5.386 ( 23.209 0.042 5.055) 23.753 6.074 ( -2.418 18.486 2.267) 18.780 6.418 ( -2.165 -8.383 -0.001) 8.658 6.859 ( -8.841 13.307 -1.875) 16.086 6.923 ( -5.373 1.607 12.359) 13.572 7.576 ( -6.082 -2.031 -13.696) 15.123 8.393 ( 17.113 -12.239 -0.964) 21.061 8.560 ( 11.530 -8.930 -14.059) 20.257 9.397 ( 18.401 15.892 -3.234) 24.528 9.460 ( 31.108 -0.701 2.104) 31.187 9.841 ( -5.734 2.658 5.064) 8.098 10.890 ( -9.301 -5.658 -0.527) 10.899 10.996 ( -13.988 -7.585 12.071) 19.973 11.115 ( -0.787 -9.987 1.632) 10.150 11.408 ( -9.867 -3.068 2.464) 10.623 11.506 ( -2.988 -10.366 7.324) 13.040 11.611 ( -1.377 -4.989 0.563) 5.207 11.838 ( 2.321 8.870 2.810) 9.590 12.018 ( -1.296 6.732 -3.108) 7.527 12.119 ( 0.610 5.486 -10.773) 12.105 12.267 ( 1.126 0.915 -3.482) 3.772 12.791 ( -22.286 -1.788 -1.945) 22.442 13.609 ( -0.944 -1.565 3.784) 4.202 14.172 ( 7.577 -1.707 0.262) 7.771 14.309 ( 3.525 1.399 -0.777) 3.871 14.445 ( -7.489 21.703 -4.230) 23.346 14.726 ( 1.415 -0.621 0.230) 1.562 15.080 ( 7.341 -0.642 3.983) 8.376 15.214 ( 5.900 7.529 -3.404) 10.153 15.614 ( 2.952 1.460 5.919) 6.774 16.014 ( 7.086 -0.346 -12.171) 14.088 16.517 ( 4.072 2.026 17.032) 17.629 17.151 ( 1.992 -5.747 1.253) 6.210 17.893 ( -5.561 3.732 0.402) 6.709 18.225 ( -0.026 11.199 9.333) 14.578 19.104 ( 5.806 -4.089 -6.113) 9.370 19.899 ( -10.817 -10.109 -16.945) 22.502 ======================= Grid point 24 (16/148) ======================= q-point: (-0.65 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 6.356 -5.732 -9.688) 12.927 3.623 ( 4.680 0.403 -6.029) 7.643 3.882 ( 10.178 1.814 -10.477) 14.719 4.050 ( 6.484 20.220 -2.191) 21.347 4.951 ( -8.164 -22.155 1.703) 23.673 5.249 ( 31.915 -3.116 -1.247) 32.091 6.194 ( -8.041 9.541 -10.731) 16.457 6.579 ( -6.611 9.042 -4.933) 12.240 7.265 ( -2.006 -17.836 8.783) 19.982 7.698 ( -3.696 -15.659 -5.408) 16.974 8.117 ( 3.703 0.089 -5.273) 6.444 8.480 ( -4.952 -6.910 -4.466) 9.602 8.726 ( 11.620 11.895 6.690) 17.924 8.973 ( -2.552 19.276 5.158) 20.116 9.286 ( 6.655 0.672 8.673) 10.953 9.812 ( 9.888 0.567 -1.153) 9.971 10.207 ( -5.594 -3.184 -0.271) 6.442 10.458 ( -2.699 -7.055 -2.160) 7.856 10.511 ( 4.940 5.738 3.941) 8.536 10.882 ( 7.031 9.979 0.199) 12.209 11.139 ( 5.612 -0.585 -3.030) 6.404 11.749 ( -3.139 -3.337 2.932) 5.440 11.897 ( -18.169 6.279 -1.010) 19.250 12.352 ( -1.468 3.917 4.431) 6.094 12.419 ( -4.146 -3.609 2.846) 6.190 12.700 ( -2.291 -10.518 3.898) 11.449 13.154 ( -1.337 -13.823 3.565) 14.338 13.433 ( 2.063 -0.223 -5.420) 5.803 13.978 ( -5.893 8.443 11.809) 15.668 14.224 ( 2.400 9.037 -7.000) 11.680 14.653 ( 8.329 3.264 -9.664) 13.169 14.869 ( 7.637 -1.235 -6.230) 9.933 15.248 ( -3.737 -4.325 -1.670) 5.955 15.587 ( 2.391 -0.642 -0.620) 2.552 15.793 ( 3.630 -4.624 8.983) 10.736 16.036 ( 5.213 1.407 -12.469) 13.587 16.583 ( 1.494 5.067 -15.258) 16.147 16.964 ( 0.689 3.637 -5.694) 6.792 18.230 ( -7.662 -15.917 7.746) 19.289 18.671 ( -0.120 -2.305 4.753) 5.284 19.003 ( -1.333 -4.516 4.481) 6.499 19.517 ( -5.724 15.931 3.436) 17.273 ======================= Grid point 25 (17/148) ======================= q-point: (-0.65 -0.02 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 1.449 -8.273 -11.679) 14.385 3.591 ( -1.979 -8.800 -6.355) 11.034 3.812 ( -6.314 -27.730 -8.800) 29.771 4.226 ( 0.732 8.960 4.258) 9.947 4.751 ( -0.989 10.637 -0.313) 10.687 5.624 ( 8.638 -7.259 -7.245) 13.408 6.125 ( -3.956 -3.759 -10.573) 11.898 6.720 ( 6.319 -13.070 -0.455) 14.525 6.818 ( -0.181 -6.061 9.497) 11.268 7.192 ( -2.912 -12.838 -11.831) 17.699 8.033 ( -6.329 -2.259 3.479) 7.567 8.720 ( 8.794 14.567 -10.929) 20.223 9.038 ( -10.997 8.112 25.211) 28.676 9.292 ( -0.774 14.212 5.540) 15.273 9.452 ( 15.908 3.701 -3.890) 16.790 9.928 ( 3.252 -5.992 -5.019) 8.465 10.285 ( 3.767 -6.003 -2.114) 7.395 10.360 ( 10.148 13.257 4.762) 17.361 10.797 ( 8.527 7.620 -1.113) 11.490 11.085 ( 0.623 -0.525 0.727) 1.092 11.344 ( 5.438 6.527 -4.915) 9.815 11.479 ( -16.145 -2.856 2.197) 16.542 11.700 ( -11.957 7.679 -3.911) 14.739 12.235 ( -1.502 -6.745 8.331) 10.824 12.390 ( 1.576 -5.338 -0.525) 5.591 12.445 ( -5.137 -9.636 2.025) 11.106 12.796 ( -3.678 -7.677 3.823) 9.332 13.456 ( 0.145 -1.798 -1.749) 2.513 14.105 ( 2.434 8.597 8.049) 12.026 14.432 ( 3.588 1.807 -4.907) 6.342 14.721 ( -1.196 -1.784 4.377) 4.875 14.977 ( -6.306 -1.720 -7.873) 10.232 15.085 ( 6.351 -1.419 -13.471) 14.960 15.555 ( -1.918 -2.669 -1.180) 3.492 15.758 ( 0.355 -4.152 7.389) 8.484 16.125 ( 4.460 -3.205 -14.187) 15.213 16.696 ( -0.863 4.210 -8.447) 9.477 17.118 ( 2.054 9.191 -6.015) 11.175 17.724 ( -6.768 -15.066 8.455) 18.555 18.419 ( -1.610 -17.179 -0.722) 17.269 19.183 ( 7.236 10.599 10.334) 16.477 19.668 ( -7.438 11.984 2.360) 14.301 ======================= Grid point 26 (18/148) ======================= q-point: (-0.15 -0.02 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 19.883 17.252 1.281) 26.355 2.967 ( 22.356 22.925 -11.426) 33.998 3.606 ( 3.456 2.744 7.131) 8.386 3.919 ( 7.180 8.938 -8.889) 14.507 4.467 ( 16.249 10.846 -9.602) 21.769 5.864 ( 14.200 5.843 12.810) 19.997 6.243 ( 3.075 -4.398 7.063) 8.870 6.605 ( 3.647 24.114 1.720) 24.449 6.869 ( -6.736 16.803 -1.433) 18.160 7.090 ( 6.624 2.205 0.350) 6.990 7.465 ( -1.484 0.860 -16.753) 16.840 8.246 ( 5.772 -16.643 -11.297) 20.926 8.769 ( 14.335 -7.112 -1.832) 16.107 9.567 ( -14.160 -3.747 3.461) 15.050 9.953 ( 14.084 2.145 4.876) 15.058 10.155 ( 23.508 0.975 -2.258) 23.637 10.451 ( -16.978 -6.674 12.363) 22.037 10.632 ( -2.121 -4.730 -7.389) 9.026 10.770 ( -8.221 -16.062 3.379) 18.357 11.104 ( -14.667 -3.604 -0.573) 15.114 11.225 ( 0.556 -7.206 9.003) 11.545 11.487 ( 1.169 -8.817 0.482) 8.907 11.897 ( -4.676 -1.345 4.645) 6.727 12.102 ( -1.842 5.560 -5.953) 8.351 12.381 ( -9.002 6.230 -7.220) 13.114 12.409 ( 0.984 7.009 -2.982) 7.681 12.449 ( 3.438 12.492 -6.170) 14.351 13.585 ( -3.069 3.584 3.349) 5.787 14.148 ( -0.811 -10.428 -3.147) 10.923 14.361 ( 7.315 -7.190 -2.986) 10.683 14.669 ( -0.305 9.388 8.124) 12.418 14.839 ( -0.740 11.417 -1.129) 11.496 15.330 ( 11.903 3.918 7.594) 14.652 15.516 ( 5.213 9.772 -3.253) 11.543 15.650 ( -3.971 2.664 7.483) 8.880 16.196 ( 12.814 -0.039 -10.093) 16.312 16.578 ( -1.817 2.012 13.259) 13.534 17.104 ( 3.400 -4.817 2.337) 6.342 17.843 ( -8.567 6.119 0.303) 10.532 18.469 ( -0.878 13.580 4.833) 14.441 19.018 ( 0.775 -12.550 -14.141) 18.923 19.551 ( -3.009 -9.359 -5.089) 11.070 ======================= Grid point 27 (19/148) ======================= q-point: (-0.15 -0.02 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 3.952 10.539 1.425) 11.345 3.596 ( 14.738 -2.176 -13.250) 19.937 3.751 ( 3.377 4.911 2.520) 6.471 4.039 ( 3.194 -3.925 -5.352) 7.366 4.997 ( -1.793 26.294 7.586) 27.425 6.023 ( 6.492 -12.807 10.304) 17.674 6.309 ( -3.370 9.136 17.346) 19.892 6.794 ( -0.731 -5.300 3.650) 6.477 7.125 ( -5.396 16.096 -8.790) 19.117 7.471 ( 0.892 7.137 -7.501) 10.392 7.775 ( 20.008 23.313 -5.312) 31.177 8.199 ( 13.031 -1.376 -17.490) 21.854 8.633 ( -2.215 -18.695 2.642) 19.010 8.993 ( -15.917 -20.763 -1.824) 26.225 9.982 ( -21.079 0.164 9.800) 23.246 10.125 ( 7.603 -0.325 13.040) 15.098 10.293 ( 0.126 -4.560 -0.971) 4.664 10.473 ( 0.806 -7.049 0.508) 7.113 10.713 ( -16.876 0.467 -6.170) 17.975 10.842 ( 16.867 -2.691 -9.016) 19.314 11.208 ( 7.014 -2.882 7.851) 10.915 11.309 ( 0.880 -9.865 5.773) 11.464 11.755 ( -10.183 4.480 -1.765) 11.264 12.025 ( 2.179 -5.019 -11.283) 12.539 12.497 ( 3.249 5.187 0.595) 6.149 12.533 ( -1.414 4.632 -0.625) 4.883 12.928 ( 4.576 22.690 -5.806) 23.864 13.652 ( -3.379 9.872 1.866) 10.600 13.779 ( -5.349 -17.318 -4.811) 18.753 14.239 ( 4.432 -15.395 0.580) 16.030 14.930 ( 2.410 10.399 6.017) 12.254 15.029 ( 1.290 5.947 1.540) 6.277 15.504 ( -9.000 -0.305 5.567) 10.587 15.565 ( 6.685 -1.254 2.748) 7.336 15.831 ( -1.710 14.752 1.047) 14.888 16.395 ( 7.013 -11.854 4.610) 14.524 16.673 ( 3.984 11.820 8.560) 15.129 17.049 ( 1.720 -7.461 6.713) 10.183 17.870 ( -4.146 13.241 -7.016) 15.548 18.518 ( -2.200 -11.961 -11.919) 17.028 18.892 ( 0.639 8.209 -3.458) 8.931 19.353 ( 1.028 -10.618 -0.396) 10.675 ======================= Grid point 28 (20/148) ======================= q-point: ( 0.35 -0.02 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -7.860 -11.138 -1.574) 13.723 2.905 ( -15.901 -23.649 -2.834) 28.638 3.450 ( -5.167 -3.009 -9.728) 11.419 4.400 ( -5.086 9.074 13.306) 16.889 4.828 ( -5.129 1.300 6.614) 8.470 5.545 ( 1.056 -4.336 -11.082) 11.946 5.844 ( -1.251 -16.684 -12.430) 20.843 6.423 ( -0.076 -10.999 6.565) 12.810 6.552 ( -5.831 -5.792 -5.398) 9.833 7.417 ( 2.010 9.277 0.969) 9.542 7.907 ( -6.263 -0.044 18.580) 19.608 8.803 ( -10.040 5.258 0.546) 11.346 9.118 ( 2.687 5.334 6.057) 8.506 9.483 ( -1.187 9.899 0.804) 10.002 9.914 ( 1.148 -3.531 4.018) 5.471 9.936 ( 14.169 6.759 -12.769) 20.236 10.374 ( 10.318 -2.470 -9.805) 14.446 10.762 ( 0.054 4.740 4.654) 6.643 10.906 ( -16.369 -1.338 -0.650) 16.437 11.046 ( 3.889 -0.593 2.836) 4.850 11.159 ( 7.318 3.174 -2.846) 8.469 11.507 ( 2.349 1.398 -9.034) 9.438 11.780 ( -0.302 8.353 -0.896) 8.407 12.074 ( 1.090 -7.319 7.670) 10.658 12.186 ( -1.710 -4.349 1.239) 4.835 12.289 ( 2.273 -6.711 -0.956) 7.150 12.645 ( -6.319 -1.909 9.644) 11.687 13.452 ( 1.820 0.784 -4.431) 4.854 14.318 ( 2.995 2.941 2.741) 5.013 14.383 ( 0.317 -6.989 2.136) 7.314 14.581 ( -3.449 -3.837 4.971) 7.164 14.921 ( -6.901 6.680 -2.607) 9.952 15.136 ( -0.649 1.245 -12.699) 12.776 15.467 ( -1.306 -3.605 -3.606) 5.264 15.583 ( -4.413 -6.700 4.252) 9.080 16.146 ( 5.043 -3.050 -5.548) 8.094 16.696 ( -8.453 4.615 -2.083) 9.854 17.314 ( -5.854 8.394 1.365) 10.324 17.507 ( 8.782 -3.883 -2.585) 9.944 18.033 ( 0.501 -18.277 -3.772) 18.669 19.543 ( 1.555 8.903 12.097) 15.100 19.707 ( -0.362 5.301 0.944) 5.397 ======================= Grid point 29 (21/148) ======================= q-point: ( 0.35 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -14.890 0.000 14.655) 20.892 2.368 ( -21.370 0.000 5.361) 22.032 3.366 ( 0.326 -0.000 -5.021) 5.031 4.239 ( -23.313 0.000 22.643) 32.500 4.633 ( -10.055 0.000 12.560) 16.088 5.490 ( -5.629 -0.000 -13.035) 14.198 5.711 ( 9.031 -0.000 -5.331) 10.487 6.383 ( 6.709 0.000 3.845) 7.732 6.432 ( -0.522 -0.000 -3.909) 3.944 7.255 ( -22.489 0.000 3.889) 22.822 7.803 ( -1.245 0.000 14.597) 14.650 8.794 ( -5.225 -0.000 -3.750) 6.432 9.183 ( -0.092 0.000 20.403) 20.404 9.571 ( -18.550 0.000 3.361) 18.852 9.668 ( 1.418 -0.000 -2.433) 2.816 10.063 ( -29.264 0.000 -6.953) 30.079 10.329 ( 18.989 -0.000 -17.965) 26.140 10.774 ( 3.108 -0.000 -4.011) 5.074 11.031 ( 20.070 -0.000 -4.138) 20.492 11.248 ( -1.490 0.000 1.842) 2.369 11.317 ( 12.043 -0.000 -2.198) 12.242 11.568 ( 0.949 -0.000 -8.594) 8.646 11.780 ( -2.369 0.000 0.425) 2.407 12.078 ( -1.630 0.000 3.836) 4.168 12.230 ( 2.476 -0.000 0.061) 2.476 12.325 ( 16.387 -0.000 0.047) 16.387 12.446 ( -6.918 0.000 14.090) 15.697 13.535 ( 3.722 -0.000 -5.420) 6.575 14.210 ( -5.124 0.000 5.080) 7.216 14.370 ( -2.814 0.000 -0.234) 2.824 14.510 ( 0.001 0.000 7.798) 7.798 14.845 ( -5.572 0.000 0.557) 5.600 15.152 ( -5.354 -0.000 -5.256) 7.503 15.286 ( -2.303 0.000 3.608) 4.280 15.511 ( 0.308 -0.000 -1.223) 1.261 16.194 ( 1.669 -0.000 -6.092) 6.317 16.517 ( -12.842 0.000 2.224) 13.033 17.280 ( -4.048 0.000 2.349) 4.681 17.739 ( 7.395 -0.000 -0.672) 7.425 17.820 ( 4.347 -0.000 -9.275) 10.243 19.448 ( -11.166 0.000 5.282) 12.352 19.978 ( 12.977 0.000 6.752) 14.628 ======================= Grid point 30 (22/148) ======================= q-point: (-0.15 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( -8.639 -1.317 -1.824) 8.927 3.530 ( -1.078 -16.815 -9.682) 19.433 3.831 ( -4.672 -6.708 0.891) 8.223 3.904 ( 1.037 -1.239 -0.753) 1.783 5.466 ( -4.142 19.692 8.364) 21.792 5.701 ( 3.739 -24.867 3.637) 25.409 6.118 ( -29.094 1.558 8.847) 30.449 6.707 ( 2.131 1.538 17.008) 17.210 7.330 ( -2.360 8.105 -12.562) 15.135 7.623 ( 12.153 -3.924 -17.982) 22.056 8.058 ( -8.355 -19.281 -0.226) 21.015 8.176 ( -4.024 -19.918 -4.096) 20.729 8.348 ( 1.243 3.558 -3.172) 4.926 9.015 ( 23.862 22.405 -0.663) 32.739 9.625 ( -20.856 8.948 7.653) 23.950 10.160 ( -10.966 3.798 5.888) 13.013 10.324 ( 3.180 -0.024 2.878) 4.289 10.410 ( -0.491 -3.239 2.983) 4.431 10.468 ( -2.330 5.479 -6.720) 8.978 10.979 ( 0.526 0.041 2.315) 2.375 11.175 ( 4.202 -6.310 5.590) 9.419 11.375 ( 13.118 -3.597 -1.942) 13.740 11.735 ( -4.731 8.663 -8.817) 13.235 12.093 ( 10.694 -1.073 -4.708) 11.734 12.455 ( -5.970 -1.674 1.713) 6.432 12.650 ( 3.235 -0.555 -3.945) 5.132 13.271 ( -3.559 -13.576 -2.096) 14.190 13.527 ( 7.492 13.528 -5.823) 16.524 13.790 ( -6.286 10.738 2.414) 12.675 14.027 ( 4.091 -11.005 -0.037) 11.741 14.942 ( -6.177 -3.718 7.379) 10.316 15.174 ( 2.726 1.204 3.108) 4.305 15.297 ( -10.001 1.330 2.162) 10.318 15.678 ( 4.252 0.648 2.363) 4.908 15.912 ( -12.331 5.267 0.355) 13.414 16.186 ( -1.911 -9.967 3.210) 10.644 16.804 ( -1.630 -4.396 15.014) 15.729 16.987 ( 4.043 -1.507 7.465) 8.622 18.219 ( 3.160 1.976 -12.046) 12.610 18.274 ( 7.463 3.906 -13.089) 15.565 19.106 ( -0.462 -3.730 0.394) 3.779 19.154 ( 1.843 1.726 -1.640) 3.011 ======================= Grid point 31 (23/148) ======================= q-point: (-0.15 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -22.859 -19.376 -6.242) 30.609 2.911 ( -12.755 -26.560 -3.787) 29.706 3.615 ( -3.585 -3.191 -0.158) 4.802 3.934 ( -0.642 1.038 -0.153) 1.230 4.803 ( -9.528 -47.707 -6.816) 49.125 5.365 ( -33.543 1.417 4.372) 33.857 5.960 ( -0.621 16.709 -0.866) 16.743 6.790 ( 2.469 -1.093 15.389) 15.625 7.368 ( 1.809 -13.049 -3.885) 13.735 7.479 ( 9.983 -25.844 -1.241) 27.733 7.625 ( -3.283 -3.420 -5.827) 7.512 7.993 ( 11.237 -4.361 -14.879) 19.149 8.360 ( -13.626 5.061 -6.986) 16.127 9.338 ( -26.084 6.114 3.927) 27.077 9.708 ( 4.312 7.588 1.548) 8.864 10.043 ( -4.549 -9.563 -2.434) 10.865 10.287 ( 0.871 22.903 12.583) 26.146 10.539 ( 2.360 10.196 -1.498) 10.572 10.745 ( 8.229 7.521 0.439) 11.157 11.008 ( -2.691 6.656 12.041) 14.019 11.221 ( 1.519 4.819 2.795) 5.774 11.587 ( 13.630 -4.143 -6.889) 15.824 11.850 ( -0.123 7.291 -8.025) 10.843 12.160 ( -6.070 -4.839 0.982) 7.824 12.480 ( 9.745 0.991 -3.953) 10.563 12.609 ( 4.060 -5.096 -5.195) 8.333 12.891 ( 4.210 -20.279 -3.982) 21.090 13.748 ( 0.518 -2.886 6.013) 6.690 13.918 ( -1.049 10.233 0.102) 10.287 14.022 ( -5.054 7.365 -5.961) 10.739 14.728 ( -2.962 -3.420 9.293) 10.335 15.058 ( -13.451 1.485 3.234) 13.914 15.215 ( 6.266 -7.294 0.741) 9.645 15.625 ( -10.602 -3.759 3.481) 11.775 15.664 ( -3.640 -5.800 -1.277) 6.966 16.021 ( -1.546 -1.437 -4.724) 5.174 16.682 ( -1.036 -5.653 17.927) 18.825 17.002 ( -0.008 -0.241 5.017) 5.022 18.155 ( 6.050 -7.716 -7.163) 12.143 18.678 ( 3.846 3.218 -3.150) 5.922 18.872 ( 0.414 -5.922 -5.589) 8.154 19.419 ( 5.009 11.868 -5.923) 14.178 ======================= Grid point 32 (24/148) ======================= q-point: ( 0.35 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -21.441 11.729 15.759) 29.080 2.346 ( -13.908 27.478 23.777) 38.908 3.451 ( 3.272 2.102 2.581) 4.667 3.667 ( -26.885 8.584 26.137) 38.466 4.418 ( -12.430 -0.906 15.815) 20.135 5.290 ( -18.254 0.627 -4.371) 18.780 6.022 ( 5.512 15.073 -2.810) 16.293 6.374 ( 3.485 -5.140 -2.297) 6.621 6.788 ( 6.376 6.315 -1.677) 9.130 6.889 ( -0.505 8.061 0.179) 8.079 7.837 ( 3.682 0.574 12.953) 13.478 8.437 ( -14.843 -11.058 4.389) 19.022 8.868 ( -11.540 -9.188 14.876) 20.950 9.381 ( -25.653 1.623 -3.242) 25.908 9.514 ( -15.512 12.458 6.704) 20.994 9.764 ( 1.929 3.963 -1.879) 4.791 10.641 ( 15.886 -8.213 -22.747) 28.935 10.842 ( 4.779 -5.178 -6.939) 9.889 11.111 ( 2.512 -9.886 -0.187) 10.202 11.228 ( 4.749 -11.302 -10.929) 16.424 11.467 ( 3.515 -6.687 -1.576) 7.717 11.583 ( 3.396 4.361 -0.808) 5.586 11.817 ( 1.227 4.218 1.139) 4.538 12.069 ( -2.500 6.489 3.110) 7.618 12.310 ( 3.148 2.287 1.297) 4.102 12.395 ( -0.314 5.357 14.861) 15.801 12.794 ( 19.091 2.410 -2.455) 19.399 13.541 ( 0.531 -3.080 -2.746) 4.160 14.177 ( -8.085 0.377 0.817) 8.135 14.328 ( -0.815 4.438 0.668) 4.561 14.566 ( 2.938 3.614 8.140) 9.378 14.741 ( 0.129 1.480 2.254) 2.700 14.990 ( -4.879 -2.648 -4.563) 7.186 15.328 ( -4.346 7.119 9.177) 12.401 15.548 ( 0.088 2.038 -1.450) 2.503 16.168 ( -8.257 1.313 -16.699) 18.676 16.239 ( -8.459 -1.303 10.814) 13.791 17.128 ( -2.919 -6.536 -0.878) 7.212 17.879 ( 7.341 4.972 -1.254) 8.954 18.129 ( 2.791 15.141 -1.706) 15.490 19.199 ( -8.182 -3.511 3.677) 9.633 20.138 ( 12.652 -11.053 6.406) 17.980 ======================= Grid point 33 (25/148) ======================= q-point: ( 0.35 -0.02 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -12.639 22.996 17.082) 31.311 2.375 ( -20.783 17.939 24.856) 37.035 3.580 ( 2.901 0.958 4.999) 5.859 3.836 ( -4.110 28.738 14.643) 32.514 4.152 ( -10.191 9.039 18.883) 23.284 4.795 ( -20.927 -4.039 -3.774) 21.645 6.284 ( 5.485 -8.671 -1.941) 10.442 6.535 ( 2.769 17.353 -0.394) 17.577 6.943 ( 5.316 14.056 1.445) 15.097 7.432 ( 11.477 11.745 0.125) 16.422 7.791 ( -5.572 -7.519 6.683) 11.500 8.025 ( -12.894 2.083 8.203) 15.423 8.707 ( 9.535 2.122 13.416) 16.596 8.873 ( -17.189 -0.760 -0.007) 17.206 9.453 ( -18.757 11.814 10.454) 24.509 9.930 ( 4.040 4.779 -4.465) 7.687 10.550 ( 5.744 -25.314 -24.525) 35.711 10.724 ( 1.474 -8.551 -4.521) 9.785 10.915 ( -2.873 -9.062 0.307) 9.512 11.062 ( 3.164 -13.674 -8.656) 16.490 11.301 ( 0.652 -7.046 -6.339) 9.500 11.693 ( -2.367 1.709 -0.837) 3.037 12.033 ( 7.879 6.454 9.613) 14.005 12.249 ( 2.399 10.421 0.099) 10.694 12.388 ( -1.160 3.907 6.100) 7.336 12.543 ( -0.859 9.603 9.496) 13.532 13.164 ( 15.034 -1.276 -2.090) 15.232 13.557 ( 0.523 4.953 -7.743) 9.206 13.931 ( -6.657 -6.129 4.349) 10.039 14.141 ( -8.489 -10.115 7.123) 15.004 14.634 ( 5.037 -4.822 -6.339) 9.423 14.836 ( -4.619 -2.272 -2.854) 5.886 15.165 ( 9.515 12.202 -0.429) 15.480 15.383 ( -3.814 5.530 6.626) 9.436 15.559 ( -0.410 2.902 1.217) 3.174 15.980 ( -12.222 7.083 -12.969) 19.177 16.156 ( -2.549 2.166 4.692) 5.762 16.970 ( -0.731 -4.604 -2.449) 5.266 18.176 ( 4.072 10.350 2.358) 11.369 18.477 ( 0.974 14.833 0.395) 14.870 19.020 ( -2.355 -2.503 3.140) 4.655 20.055 ( 8.105 -18.098 5.545) 20.590 ======================= Grid point 34 (26/148) ======================= q-point: (-0.15 -0.02 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -25.923 -26.478 -8.009) 37.911 2.004 ( -17.678 -30.954 -11.101) 37.335 3.387 ( -7.939 -50.223 -17.759) 53.859 3.579 ( -4.008 -10.020 -5.311) 12.028 3.928 ( -3.874 -0.565 -5.300) 6.589 4.851 ( -20.950 4.252 2.013) 21.471 6.255 ( 1.736 10.803 -3.987) 11.646 6.625 ( 4.208 -25.097 5.933) 26.130 7.035 ( 4.182 -8.793 10.538) 14.348 7.408 ( 10.624 -9.249 -1.710) 14.189 7.665 ( -1.726 6.292 -5.698) 8.662 7.921 ( -13.228 -0.841 -2.147) 13.427 8.342 ( 9.443 -1.503 -21.597) 23.619 8.894 ( -19.729 0.962 1.357) 19.799 9.281 ( -20.469 -13.514 -6.757) 25.441 10.053 ( 5.257 -5.757 6.650) 10.247 10.760 ( -1.535 10.936 0.387) 11.051 10.875 ( 2.701 19.570 5.594) 20.532 11.021 ( 5.680 9.783 11.120) 15.863 11.215 ( 0.262 16.051 8.927) 18.368 11.398 ( 1.498 7.819 4.101) 8.956 11.692 ( 2.472 -2.042 -2.598) 4.127 11.904 ( -1.916 -4.781 -2.226) 5.611 12.086 ( 1.616 7.777 -14.858) 16.848 12.341 ( -0.684 -12.816 -4.436) 13.580 12.363 ( -0.638 -19.553 -2.418) 19.712 13.172 ( 21.916 5.139 -1.109) 22.538 13.691 ( 1.413 -5.797 4.856) 7.693 13.911 ( -8.724 4.059 1.699) 9.770 14.055 ( -8.593 10.653 -2.179) 13.859 14.731 ( 2.637 1.243 3.381) 4.464 14.884 ( -6.240 2.763 2.011) 7.114 15.202 ( 7.765 -9.649 2.433) 12.622 15.334 ( -0.416 -9.470 1.410) 9.584 15.519 ( -1.292 -2.044 -3.236) 4.040 15.976 ( -1.061 -2.073 -5.173) 5.673 16.448 ( -9.568 -9.454 25.801) 29.096 17.015 ( -0.494 2.373 0.945) 2.601 18.113 ( 3.475 -7.273 -3.293) 8.707 18.490 ( 0.113 -13.821 1.982) 13.963 18.943 ( -1.356 4.044 -4.507) 6.205 19.838 ( 8.291 15.300 -15.609) 23.377 ======================= Grid point 35 (27/148) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.000 -16.791 -25.612) 30.626 2.132 ( -0.000 -25.148 -24.181) 34.888 3.619 ( -0.000 4.315 -5.284) 6.822 3.792 ( 0.000 -36.404 -18.304) 40.747 4.037 ( -0.000 -9.751 -17.822) 20.315 4.561 ( 0.000 4.597 4.351) 6.329 6.346 ( -0.000 9.473 1.118) 9.539 6.577 ( 0.000 -20.263 1.001) 20.287 7.012 ( 0.000 -11.451 -3.583) 11.998 7.629 ( -0.000 7.330 -4.337) 8.517 7.670 ( 0.000 -11.886 -0.485) 11.896 7.841 ( -0.000 0.350 -9.376) 9.382 8.663 ( 0.000 -0.758 0.733) 1.055 9.022 ( 0.000 -14.275 -1.521) 14.356 9.078 ( -0.000 -4.989 -24.855) 25.351 9.974 ( 0.000 -5.089 5.643) 7.599 10.612 ( 0.000 27.261 25.287) 37.183 10.735 ( -0.000 8.235 1.056) 8.302 10.883 ( -0.000 10.406 2.651) 10.739 11.087 ( -0.000 14.589 8.348) 16.808 11.315 ( 0.000 5.819 6.188) 8.494 11.657 ( 0.000 -0.580 0.860) 1.038 12.117 ( -0.000 -8.548 -12.280) 14.962 12.285 ( 0.000 -19.923 2.852) 20.126 12.373 ( -0.000 3.657 -9.019) 9.732 12.533 ( -0.000 -8.661 -8.815) 12.358 13.326 ( 0.000 0.203 8.061) 8.063 13.586 ( 0.000 -4.579 8.780) 9.902 13.861 ( -0.000 1.361 -8.218) 8.330 14.021 ( -0.000 17.992 -8.343) 19.832 14.704 ( -0.000 7.893 5.349) 9.535 14.776 ( 0.000 0.044 1.676) 1.677 15.305 ( 0.000 0.254 1.026) 1.057 15.312 ( 0.000 -9.018 -7.304) 11.605 15.632 ( -0.000 4.066 0.615) 4.112 15.752 ( 0.000 -23.497 13.971) 27.337 16.134 ( -0.000 -2.470 -6.291) 6.759 16.964 ( -0.000 4.292 3.044) 5.262 18.217 ( 0.000 -9.901 -2.659) 10.251 18.488 ( 0.000 -14.420 -0.747) 14.440 18.997 ( -0.000 0.904 -2.945) 3.081 20.148 ( -0.000 19.320 -4.327) 19.799 ======================= Grid point 36 (28/148) ======================= q-point: ( 0.21 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.000 27.120 17.833) 32.458 1.823 ( -0.000 39.403 7.299) 40.073 3.298 ( -0.000 64.387 25.316) 69.185 3.541 ( 0.000 -1.120 2.664) 2.890 3.896 ( -0.000 2.531 1.756) 3.081 4.619 ( 0.000 -4.835 -1.727) 5.134 6.278 ( 0.000 -10.236 6.399) 12.072 6.683 ( -0.000 26.699 -6.618) 27.507 7.091 ( -0.000 5.545 -11.582) 12.841 7.559 ( 0.000 -6.058 2.264) 6.467 7.636 ( -0.000 7.534 2.931) 8.084 7.696 ( 0.000 0.223 5.623) 5.627 8.576 ( 0.000 7.024 24.945) 25.915 8.677 ( -0.000 -0.431 -0.704) 0.826 8.967 ( -0.000 15.052 3.152) 15.378 10.107 ( -0.000 7.378 -6.549) 9.866 10.733 ( 0.000 -9.741 0.908) 9.783 10.898 ( 0.000 -18.485 -6.706) 19.664 11.084 ( -0.000 -12.865 -11.022) 16.941 11.220 ( 0.000 -17.580 -9.301) 19.889 11.415 ( 0.000 -7.063 -4.379) 8.310 11.686 ( -0.000 1.124 -1.528) 1.897 11.903 ( 0.000 7.256 9.140) 11.670 12.100 ( 0.000 -8.670 16.602) 18.729 12.340 ( 0.000 8.866 9.415) 12.932 12.356 ( -0.000 24.146 -3.686) 24.426 13.506 ( -0.000 -4.117 -8.036) 9.030 13.715 ( -0.000 5.838 -4.081) 7.123 13.721 ( 0.000 -2.566 5.813) 6.354 13.952 ( 0.000 -13.744 -0.531) 13.755 14.784 ( 0.000 -7.464 -2.857) 7.992 14.798 ( -0.000 2.169 -0.696) 2.278 15.231 ( -0.000 9.181 1.792) 9.355 15.322 ( -0.000 -0.612 -0.750) 0.968 15.633 ( 0.000 -4.435 0.279) 4.444 15.942 ( -0.000 4.466 1.546) 4.726 16.301 ( -0.000 20.678 -29.429) 35.967 17.012 ( 0.000 -1.549 -0.241) 1.568 18.148 ( -0.000 7.243 3.598) 8.088 18.490 ( -0.000 13.865 -1.345) 13.930 18.929 ( 0.000 -2.587 3.648) 4.472 19.939 ( 0.000 -17.514 16.411) 24.001 ======================= Grid point 37 (29/148) ======================= q-point: ( 0.21 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 22.624 25.657 7.568) 35.035 2.700 ( 7.335 36.340 0.490) 37.076 3.544 ( 2.854 -0.295 0.568) 2.925 3.937 ( -0.628 1.702 -4.191) 4.567 4.627 ( 6.544 57.584 13.446) 59.494 4.755 ( 22.508 -5.077 -2.154) 23.174 5.987 ( -2.196 -16.333 4.853) 17.179 6.867 ( -4.342 2.129 -16.476) 17.171 7.418 ( -3.156 14.666 4.949) 15.797 7.514 ( 5.067 -1.175 2.175) 5.638 7.694 ( -9.304 22.576 0.578) 24.425 7.978 ( 14.675 2.938 4.359) 15.588 8.413 ( -19.013 5.218 19.498) 27.729 8.868 ( 17.775 -1.748 -1.059) 17.892 9.508 ( 16.262 8.244 4.935) 18.889 10.130 ( -6.387 1.562 -7.972) 10.334 10.325 ( -2.080 -30.398 -13.502) 33.327 10.557 ( 0.663 -10.611 2.897) 11.019 10.848 ( -2.194 -9.361 -2.725) 9.993 10.967 ( 1.212 -7.735 -11.229) 13.689 11.236 ( -0.943 -7.837 -2.256) 8.209 11.750 ( -0.421 3.337 -0.798) 3.457 11.892 ( -4.122 -5.455 15.656) 17.083 12.054 ( 2.061 5.584 7.079) 9.249 12.540 ( 0.642 8.824 8.824) 12.495 12.784 ( -6.723 14.297 -7.674) 17.564 13.085 ( -15.153 0.097 5.201) 16.021 13.718 ( 2.870 -6.811 -5.007) 8.927 13.851 ( 6.738 -3.661 -0.382) 7.678 13.929 ( 2.801 4.269 1.712) 5.385 14.661 ( 3.888 -4.971 -5.682) 8.492 14.863 ( 4.418 0.352 -2.909) 5.302 15.324 ( -2.857 2.769 -1.765) 4.353 15.438 ( 5.534 2.756 1.501) 6.362 15.576 ( 3.718 3.392 1.532) 5.261 16.006 ( 0.677 1.072 2.581) 2.876 16.643 ( 2.103 9.094 -21.144) 23.112 17.013 ( -0.750 1.920 -5.048) 5.452 18.244 ( -2.578 5.429 7.082) 9.288 18.729 ( -1.203 4.286 -0.732) 4.512 18.893 ( -1.286 4.918 6.748) 8.449 19.544 ( -5.994 -14.332 8.772) 17.840 ======================= Grid point 38 (30/148) ======================= q-point: (-0.29 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 9.555 -10.786 -29.596) 32.917 2.021 ( 17.495 -18.541 -30.550) 39.788 3.116 ( 19.732 -27.118 -40.074) 52.256 3.594 ( -6.758 -0.517 -5.994) 9.047 4.176 ( 10.534 1.865 -15.134) 18.533 4.859 ( 19.583 2.241 4.194) 20.152 6.102 ( -2.516 -16.764 1.094) 16.987 6.470 ( -4.562 7.417 1.764) 8.884 6.837 ( -5.646 -1.558 -2.247) 6.273 7.165 ( -16.362 -13.220 2.909) 21.236 7.851 ( 5.462 -1.233 -8.265) 9.984 8.125 ( 12.831 10.566 -7.782) 18.353 8.674 ( 4.771 -1.252 -7.817) 9.243 8.897 ( 17.874 1.640 -0.692) 17.962 9.185 ( 15.250 -13.419 -15.684) 25.663 9.837 ( -2.929 -4.016 4.109) 6.449 10.866 ( -4.005 6.913 12.551) 14.878 10.930 ( -5.351 10.185 15.739) 19.495 11.143 ( -1.552 13.423 0.286) 13.515 11.331 ( -4.347 11.493 11.137) 16.583 11.450 ( 1.668 6.708 8.394) 10.873 11.646 ( -0.123 -2.976 0.215) 2.987 11.892 ( -5.181 -7.363 -7.999) 12.043 11.999 ( 3.804 -8.509 -2.732) 9.713 12.345 ( -0.537 -3.878 -3.820) 5.470 12.411 ( -1.410 -4.006 -10.569) 11.391 13.187 ( -15.801 0.739 6.357) 17.048 13.530 ( 0.428 4.041 1.874) 4.475 13.995 ( 8.249 0.645 -2.894) 8.766 14.347 ( -1.053 6.317 -6.920) 9.429 14.681 ( -7.196 -2.749 3.560) 8.487 14.800 ( -7.497 -17.523 -6.041) 19.994 14.894 ( 4.306 2.798 3.319) 6.114 15.259 ( 1.931 -5.936 -11.398) 12.996 15.508 ( 4.778 -1.702 0.197) 5.076 15.894 ( 15.409 -1.688 12.731) 20.059 16.125 ( 3.894 -1.199 -9.302) 10.155 17.086 ( 1.215 6.368 2.053) 6.800 17.995 ( -3.787 -6.525 -0.507) 7.562 18.176 ( -1.621 -14.225 -0.318) 14.320 19.067 ( 4.376 1.816 -2.634) 5.421 20.392 ( -10.897 14.148 -2.515) 18.034 ======================= Grid point 39 (31/148) ======================= q-point: (-0.29 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 20.195 -0.000 -21.041) 29.164 1.961 ( 13.684 -0.000 -26.022) 29.400 3.431 ( -5.769 0.000 -1.434) 5.945 3.594 ( 36.770 -0.000 -32.815) 49.284 4.418 ( 10.840 -0.000 -14.542) 18.138 5.283 ( 16.049 -0.000 4.643) 16.707 5.861 ( -5.077 0.000 0.962) 5.168 6.482 ( -4.385 0.000 5.460) 7.003 6.623 ( -16.324 0.000 1.470) 16.390 6.858 ( 11.504 -0.000 -1.351) 11.583 7.833 ( -2.847 -0.000 -11.779) 12.118 8.562 ( 15.466 -0.000 -5.479) 16.408 9.116 ( 24.040 -0.000 1.854) 24.111 9.134 ( 5.016 -0.000 -22.149) 22.710 9.450 ( 28.495 -0.000 1.751) 28.549 9.724 ( -3.911 0.000 3.207) 5.058 10.725 ( -17.048 0.000 22.267) 28.044 10.893 ( -6.431 0.000 8.474) 10.638 11.231 ( -1.396 -0.000 -0.971) 1.700 11.368 ( -10.604 0.000 11.089) 15.343 11.525 ( -8.492 0.000 -2.114) 8.751 11.530 ( 3.477 0.000 5.835) 6.792 11.743 ( 0.553 -0.000 -1.245) 1.362 12.027 ( 3.389 -0.000 -3.174) 4.643 12.278 ( -1.705 -0.000 -1.275) 2.129 12.351 ( 1.967 -0.000 -14.555) 14.688 12.753 ( -23.292 0.000 3.099) 23.497 13.609 ( -3.279 0.000 3.393) 4.718 14.099 ( 5.698 -0.000 -5.328) 7.801 14.259 ( 5.599 -0.000 -0.342) 5.609 14.541 ( -2.832 -0.000 -10.620) 10.991 14.763 ( 2.691 -0.000 -2.127) 3.430 15.038 ( 5.577 0.000 2.628) 6.165 15.232 ( 2.728 -0.000 -9.480) 9.865 15.524 ( -0.484 0.000 1.581) 1.654 16.154 ( 7.425 0.000 14.969) 16.710 16.255 ( 10.663 -0.000 -9.687) 14.406 17.209 ( 2.704 -0.000 0.650) 2.781 17.881 ( -6.097 0.000 -0.223) 6.101 17.904 ( -3.432 0.000 4.954) 6.026 19.234 ( 9.140 -0.000 -3.659) 9.845 20.257 ( -14.137 -0.000 -5.654) 15.225 ======================= Grid point 40 (32/148) ======================= q-point: ( 0.21 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 13.004 13.377 -0.632) 18.667 3.451 ( 4.810 21.111 5.427) 22.322 3.706 ( 7.069 9.930 -2.903) 12.530 3.943 ( -2.308 2.652 -3.535) 4.986 5.268 ( 27.726 -4.158 -4.565) 28.405 5.532 ( 7.060 -19.799 -0.385) 21.023 5.777 ( 0.999 37.580 0.914) 37.605 6.755 ( -3.740 -3.720 -15.710) 16.572 7.326 ( -1.996 -8.637 10.574) 13.799 7.787 ( 4.677 10.057 -0.134) 11.092 8.000 ( -10.331 15.678 8.746) 20.713 8.188 ( 0.988 -0.673 5.368) 5.500 8.358 ( -3.568 21.149 8.341) 23.013 9.159 ( 18.513 -12.712 -7.404) 23.646 9.419 ( -8.847 -17.059 -4.677) 19.778 9.940 ( 7.979 -11.218 -5.371) 14.777 10.242 ( 5.314 9.705 4.868) 12.088 10.347 ( 0.639 -8.460 1.701) 8.653 10.605 ( -4.793 -6.618 0.340) 8.179 10.925 ( 3.460 -1.520 -10.604) 11.258 11.183 ( 3.466 0.452 -2.725) 4.433 11.700 ( -10.599 2.053 5.557) 12.142 11.720 ( -7.178 0.440 8.560) 11.180 12.247 ( 2.158 3.735 -2.493) 4.982 12.415 ( -9.831 -3.460 3.493) 10.992 12.687 ( -0.194 0.419 8.075) 8.088 13.243 ( -0.375 9.804 -3.659) 10.471 13.662 ( -0.093 -5.256 7.001) 8.755 13.692 ( -2.192 -10.569 -3.763) 11.431 14.081 ( -1.237 10.310 0.440) 10.393 14.795 ( 9.028 1.172 -7.827) 12.006 15.018 ( 9.902 -0.630 -5.273) 11.236 15.298 ( -3.406 1.366 -0.379) 3.689 15.618 ( 9.779 -1.518 -0.648) 9.918 15.737 ( 3.846 -1.436 3.655) 5.496 16.106 ( 4.333 6.856 -3.344) 8.773 16.796 ( -0.120 5.420 -16.998) 17.841 17.046 ( -2.006 3.753 -8.287) 9.316 18.282 ( -2.458 1.387 9.922) 10.315 18.468 ( -9.990 -9.257 10.608) 17.263 19.112 ( -1.186 6.461 0.311) 6.576 19.204 ( -3.060 -3.175 3.757) 5.793 ======================= Grid point 41 (33/148) ======================= q-point: ( 0.21 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( -0.705 -1.280 -8.771) 8.892 3.734 ( 0.632 3.534 1.728) 3.985 3.894 ( -8.544 5.791 8.172) 13.165 4.090 ( -1.624 6.547 3.714) 7.700 4.941 ( 2.013 -23.621 -8.450) 25.167 5.941 ( 22.461 -4.531 -8.260) 24.357 6.276 ( -6.591 15.684 -12.150) 20.906 6.674 ( 6.104 -2.338 -5.615) 8.617 7.048 ( 1.416 -18.864 11.264) 22.017 7.613 ( -10.759 -5.172 -1.233) 12.002 8.094 ( -10.499 -6.783 4.799) 13.389 8.400 ( 3.486 11.089 7.753) 13.972 8.652 ( -12.327 -3.055 2.940) 13.036 8.817 ( 1.436 23.167 5.015) 23.747 9.518 ( 22.385 -1.732 -6.105) 23.267 10.137 ( 13.428 2.226 -2.420) 13.825 10.231 ( 4.107 -8.085 -6.310) 11.047 10.396 ( -1.714 -1.712 2.183) 3.261 10.548 ( 2.712 8.375 3.042) 9.314 11.042 ( -0.127 5.937 -0.229) 5.943 11.336 ( 3.563 5.321 -4.211) 7.664 11.431 ( -15.588 2.224 0.144) 15.747 11.632 ( -3.723 2.394 2.375) 5.023 12.117 ( -5.985 0.155 7.400) 9.519 12.465 ( 3.433 -0.857 -1.668) 3.912 12.579 ( -2.564 -7.080 2.676) 7.992 13.037 ( -5.634 -20.999 2.849) 21.928 13.573 ( 3.632 -5.850 -2.353) 7.276 13.711 ( 0.505 13.917 7.166) 15.662 14.311 ( -2.330 14.696 -2.140) 15.032 14.874 ( 5.593 -10.045 -2.996) 11.881 15.140 ( -5.264 -2.281 -4.261) 7.146 15.300 ( 8.589 1.979 -5.949) 10.634 15.648 ( -0.491 -2.315 -1.699) 2.913 15.749 ( 5.466 -8.664 3.445) 10.808 16.376 ( 5.450 6.603 -9.441) 12.745 16.821 ( -6.256 -0.954 -11.564) 13.182 17.096 ( -2.732 7.793 -8.005) 11.501 17.878 ( -5.470 -16.975 8.855) 19.912 18.492 ( 0.583 9.094 13.206) 16.045 18.904 ( -0.641 -9.661 2.919) 10.113 19.393 ( -2.737 12.833 0.621) 13.136 ======================= Grid point 42 (34/148) ======================= q-point: (-0.29 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 22.244 10.557 -3.181) 24.827 2.608 ( 11.913 28.604 -14.823) 34.349 3.402 ( -0.342 3.487 4.462) 5.673 4.162 ( 18.284 -5.286 -17.863) 26.102 4.667 ( 10.736 0.937 -13.036) 16.914 5.524 ( 4.906 4.125 10.470) 12.276 5.891 ( -5.805 14.960 7.266) 17.616 6.364 ( 2.734 1.854 -0.781) 3.394 6.585 ( -7.497 13.041 -1.055) 15.079 7.195 ( 19.576 -6.088 -1.243) 20.538 7.798 ( 1.504 0.049 -16.495) 16.564 8.673 ( 7.228 -11.229 0.673) 13.371 9.071 ( 7.019 -7.977 -17.368) 20.361 9.521 ( -3.936 -1.522 3.007) 5.182 9.848 ( 8.060 8.744 -3.046) 12.276 10.068 ( 29.009 1.931 6.820) 29.862 10.272 ( -18.015 -5.252 18.258) 26.182 10.769 ( -0.108 -0.471 1.468) 1.545 10.923 ( -14.363 -10.177 6.410) 18.734 11.207 ( 0.508 -4.400 -1.633) 4.721 11.266 ( -11.994 -4.971 1.415) 13.060 11.571 ( -1.293 0.190 5.618) 5.768 11.799 ( -1.318 -2.429 1.453) 3.122 12.097 ( 0.066 5.426 -4.711) 7.186 12.218 ( -4.997 3.303 -1.874) 6.277 12.369 ( -4.688 5.837 -2.437) 7.874 12.557 ( -0.530 5.284 -9.523) 10.903 13.503 ( -2.711 -1.815 3.987) 5.152 14.294 ( 3.945 3.597 -0.498) 5.362 14.381 ( 1.904 2.499 -1.006) 3.299 14.541 ( 0.265 3.024 -8.707) 9.221 14.787 ( 4.960 -4.547 -0.001) 6.729 15.086 ( 4.033 -1.198 8.224) 9.238 15.423 ( 4.082 8.338 -3.553) 9.940 15.532 ( -0.322 2.179 0.195) 2.211 16.218 ( -1.329 2.362 8.328) 8.758 16.473 ( 12.083 -4.014 -3.507) 13.206 17.206 ( 4.526 -6.605 -0.582) 8.028 17.702 ( -9.432 3.218 3.043) 10.421 18.070 ( -2.717 16.726 3.514) 17.306 19.391 ( 9.981 -5.718 -5.553) 12.773 19.886 ( -11.694 -8.687 -6.499) 15.951 ======================= Grid point 43 (35/148) ======================= q-point: (-0.29 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 5.187 13.224 1.991) 14.343 3.532 ( 3.290 9.320 4.155) 10.722 3.567 ( 15.112 30.276 -2.670) 33.943 4.214 ( 2.886 -8.079 -7.345) 11.294 4.737 ( 1.344 -6.667 -1.488) 6.962 5.706 ( -1.260 10.929 9.737) 14.692 6.046 ( 2.436 0.266 11.501) 11.759 6.754 ( 3.762 20.117 -6.420) 21.449 6.842 ( -2.028 21.440 1.221) 21.570 7.187 ( 1.697 -9.234 3.924) 10.175 7.926 ( 5.288 2.143 -18.506) 19.366 8.643 ( 13.348 -9.792 -1.136) 16.593 8.954 ( -1.957 -11.581 -11.375) 16.350 9.297 ( -4.442 -9.466 0.677) 10.478 9.803 ( -17.340 -5.172 14.248) 23.031 9.936 ( 0.039 -1.174 3.749) 3.929 10.383 ( -2.925 -2.442 4.356) 5.787 10.629 ( -4.735 -7.949 -2.600) 9.611 10.841 ( -0.633 -5.418 -0.518) 5.479 11.072 ( 7.871 -2.639 -8.158) 11.639 11.100 ( 7.663 0.184 5.428) 9.393 11.444 ( -2.855 -8.984 1.646) 9.570 11.628 ( -4.843 0.570 6.737) 8.316 12.230 ( -0.363 6.306 -7.352) 9.693 12.374 ( 0.171 10.112 -1.403) 10.211 12.435 ( -1.832 6.499 -1.080) 6.838 12.713 ( 4.248 8.712 -8.170) 12.677 13.472 ( -1.404 3.433 2.742) 4.612 14.181 ( -3.802 -10.433 -5.874) 12.562 14.473 ( -0.665 -6.659 3.892) 7.742 14.645 ( 6.420 6.625 -3.523) 9.876 14.863 ( 3.173 4.787 2.798) 6.389 15.200 ( -2.217 5.381 14.847) 15.947 15.509 ( 0.922 1.352 2.038) 2.614 15.715 ( 4.039 6.076 -6.551) 9.805 16.221 ( -4.267 3.105 13.635) 14.621 16.599 ( 8.570 -3.707 -1.897) 9.528 17.118 ( 1.885 -9.773 3.569) 10.573 17.700 ( -4.499 13.607 -3.479) 14.747 18.403 ( -0.022 17.811 1.150) 17.848 19.293 ( -1.309 -15.352 -11.360) 19.143 19.562 ( 0.669 -8.883 -0.664) 8.933 ======================= Grid point 44 (36/148) ======================= q-point: ( 0.21 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -12.858 -9.861 -6.976) 17.642 3.423 ( -20.787 -21.612 8.091) 31.059 3.693 ( -5.436 -1.279 -7.898) 9.673 4.035 ( -3.831 0.274 10.026) 10.736 4.700 ( -6.408 -4.151 2.047) 7.905 5.962 ( 1.725 -10.421 -15.852) 19.049 6.314 ( -3.144 0.669 -13.660) 14.033 6.580 ( 3.413 -19.364 10.578) 22.327 6.880 ( 0.506 -14.320 -2.735) 14.588 7.295 ( -11.515 -3.294 -4.779) 12.895 7.560 ( -12.067 0.652 15.258) 19.464 8.341 ( -4.703 9.379 21.191) 23.646 8.976 ( -4.134 15.204 -5.750) 16.772 9.306 ( 9.199 11.224 -0.309) 14.515 10.010 ( 17.938 0.374 -7.828) 19.576 10.082 ( 3.434 -1.812 -9.267) 10.048 10.423 ( 0.792 5.891 2.922) 6.623 10.575 ( 11.912 3.362 -0.002) 12.377 10.793 ( 9.622 7.341 5.442) 13.270 10.895 ( -21.500 3.095 6.573) 22.695 11.283 ( -4.207 4.210 -10.890) 12.411 11.535 ( -1.926 10.180 -6.693) 12.334 11.730 ( 9.225 2.269 -3.582) 10.153 12.039 ( 0.870 -3.732 11.463) 12.087 12.349 ( -2.427 -11.361 1.257) 11.685 12.411 ( 0.391 -6.716 0.644) 6.758 12.544 ( -5.657 -11.596 8.121) 15.245 13.528 ( 2.196 -2.483 -2.675) 4.260 14.075 ( 5.302 11.945 4.497) 13.821 14.489 ( -4.447 7.462 1.136) 8.761 14.660 ( 0.524 -15.688 -3.215) 16.022 14.916 ( -7.060 -2.334 -2.563) 7.865 15.483 ( 1.185 -7.189 -11.744) 13.821 15.542 ( 1.704 -1.043 -0.955) 2.215 15.624 ( -4.286 -3.572 2.217) 6.003 16.411 ( -2.426 -13.627 -3.483) 14.272 16.610 ( -9.744 9.671 -4.447) 14.431 17.176 ( -3.604 5.095 -0.610) 6.270 17.673 ( 7.162 -6.352 -2.633) 9.929 18.452 ( 0.636 -13.296 -4.751) 14.134 18.993 ( 3.292 12.852 18.515) 22.777 19.547 ( -2.478 8.542 0.733) 8.924 ======================= Grid point 45 (37/148) ======================= q-point: ( 0.21 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -20.237 -28.831 9.671) 36.528 2.479 ( -30.433 -10.676 -4.819) 32.609 3.564 ( -4.219 -1.397 -11.030) 11.892 3.792 ( -23.634 -2.188 17.739) 29.631 4.378 ( -14.338 -2.357 15.705) 21.396 5.767 ( -9.618 -2.280 -12.797) 16.170 6.071 ( -4.766 -18.051 -10.729) 21.533 6.332 ( 4.839 -2.690 3.711) 6.665 6.629 ( 6.947 -6.636 -5.825) 11.234 7.054 ( -11.200 -2.392 13.760) 17.903 7.537 ( -2.792 5.858 7.885) 10.212 8.586 ( -0.947 15.910 10.893) 19.305 8.888 ( -18.930 4.790 -0.011) 19.527 9.581 ( 3.390 -2.002 -2.415) 4.618 9.809 ( -7.593 -8.539 0.261) 11.430 10.164 ( -33.371 0.189 -3.257) 33.530 10.565 ( 21.386 4.251 -11.009) 24.426 10.709 ( 8.923 3.313 6.167) 11.342 11.043 ( 16.044 8.188 -6.037) 18.997 11.207 ( 4.761 6.603 0.820) 8.181 11.345 ( 7.880 3.680 -5.755) 10.429 11.647 ( -2.732 5.883 -4.330) 7.799 11.871 ( -0.831 -5.753 -4.802) 7.540 11.990 ( 1.327 -3.543 7.193) 8.127 12.161 ( 1.898 -2.258 4.375) 5.277 12.274 ( -1.938 -5.301 3.029) 6.406 12.415 ( 10.607 -3.023 6.219) 12.662 13.577 ( 1.994 2.692 -3.317) 4.714 14.280 ( -2.824 -2.342 0.819) 3.759 14.347 ( 0.399 -9.326 2.270) 9.607 14.417 ( -3.116 -2.991 3.605) 5.626 14.809 ( -6.919 3.646 -1.577) 7.978 15.234 ( -6.564 -3.442 -5.614) 9.298 15.361 ( -8.690 -6.580 1.952) 11.074 15.611 ( 2.389 -1.368 -6.865) 7.396 16.167 ( -4.867 -1.922 9.307) 10.678 16.586 ( -5.385 1.753 -9.599) 11.145 17.194 ( -2.221 3.636 0.753) 4.327 17.758 ( 7.261 -2.330 -2.453) 8.010 18.211 ( 1.225 -10.741 -11.835) 16.030 19.221 ( -4.369 7.022 12.532) 15.015 19.719 ( 6.221 6.780 8.569) 12.574 ======================= Grid point 46 (38/148) ======================= q-point: ( 0.71 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -6.164 11.445 2.193) 13.183 3.691 ( -1.368 4.791 3.676) 6.192 4.028 ( -1.901 -9.044 -0.855) 9.281 4.148 ( -1.713 -10.669 -1.543) 10.915 4.783 ( 4.635 24.318 4.975) 25.251 5.801 ( -16.569 9.514 4.908) 19.727 6.012 ( 8.264 -14.457 13.267) 21.291 6.590 ( -7.558 -10.535 2.860) 13.277 7.254 ( -0.904 21.878 -8.942) 23.652 7.580 ( 5.958 20.554 2.325) 21.526 8.137 ( 3.620 7.656 -0.165) 8.471 8.456 ( -4.610 -11.671 3.281) 12.970 8.842 ( 4.724 -8.058 -14.527) 17.271 8.920 ( 1.203 -22.686 -3.620) 23.004 9.442 ( -10.832 2.293 -1.737) 11.208 10.038 ( 3.775 4.450 12.120) 13.451 10.129 ( -12.233 -7.563 -1.032) 14.419 10.394 ( 1.060 3.718 1.394) 4.110 10.643 ( -6.844 -6.130 -5.135) 10.526 11.013 ( -4.456 -6.665 2.048) 8.275 11.213 ( 1.260 -5.109 6.030) 8.003 11.487 ( 18.933 -5.599 -1.340) 19.789 11.692 ( 0.287 9.483 -4.734) 10.603 12.277 ( 3.422 -3.056 -8.052) 9.267 12.445 ( -3.332 1.199 0.737) 3.617 12.618 ( 4.963 7.733 -1.557) 9.320 13.113 ( 2.377 20.369 -4.150) 20.923 13.521 ( -5.409 4.377 2.362) 7.348 13.892 ( 2.050 -11.903 -10.944) 16.299 14.235 ( 1.134 -13.753 5.830) 14.980 14.801 ( -6.015 2.478 5.929) 8.802 15.020 ( -2.158 3.101 5.863) 6.975 15.179 ( -1.464 6.015 4.724) 7.787 15.589 ( 2.461 0.460 3.799) 4.550 15.855 ( -1.983 5.388 -7.186) 9.198 16.138 ( -4.185 -1.710 13.568) 14.302 16.628 ( -2.242 -2.854 8.606) 9.340 16.956 ( 1.695 -6.550 4.259) 7.994 18.073 ( 6.057 19.125 -8.851) 21.927 18.672 ( -0.143 2.813 -4.864) 5.621 18.994 ( -0.260 -2.883 -5.387) 6.116 19.410 ( 4.188 -13.263 -1.120) 13.954 ======================= Grid point 47 (39/148) ======================= q-point: (-0.29 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -15.109 -2.306 -2.887) 15.554 3.520 ( -9.764 -26.267 -1.127) 28.046 3.683 ( -7.713 1.925 -0.948) 8.005 3.826 ( -4.461 -1.208 7.721) 8.999 5.228 ( -26.336 3.336 -0.567) 26.552 5.470 ( -3.833 8.619 5.105) 10.726 5.805 ( 9.981 -18.148 -1.505) 20.766 6.511 ( 3.851 0.930 8.697) 9.557 7.500 ( -0.058 6.565 -7.405) 9.896 7.749 ( -7.075 -5.583 3.315) 9.603 8.232 ( 4.686 -27.568 -14.478) 31.489 8.326 ( 3.019 12.663 -8.195) 15.383 8.505 ( 6.622 -19.580 -4.474) 21.148 8.933 ( -7.254 22.384 15.476) 28.163 9.371 ( -9.873 9.105 -1.031) 13.470 9.833 ( -5.173 2.982 5.089) 7.845 10.308 ( 2.973 2.618 3.912) 5.568 10.372 ( -2.744 -4.173 -5.724) 7.597 10.607 ( 4.370 5.952 0.091) 7.385 10.754 ( -6.627 -0.350 5.918) 8.892 11.146 ( -2.333 0.096 0.992) 2.537 11.776 ( 14.036 -3.756 -2.942) 14.824 11.843 ( 3.028 3.313 -2.091) 4.952 12.286 ( 0.768 -1.928 -6.498) 6.822 12.467 ( 7.523 1.871 -1.073) 7.826 12.831 ( 4.954 0.174 -5.123) 7.128 13.246 ( -5.052 -5.206 -4.977) 8.798 13.572 ( -4.381 9.966 5.880) 12.373 13.814 ( 5.983 -4.149 -4.453) 8.535 14.094 ( -0.162 -1.928 -2.656) 3.286 14.561 ( -7.850 -4.761 15.072) 17.648 14.938 ( -10.661 3.695 2.437) 11.544 15.286 ( 2.902 -0.727 0.528) 3.038 15.577 ( -3.188 -1.253 3.286) 4.747 15.824 ( -4.670 -2.628 -4.387) 6.926 16.046 ( -3.793 2.947 1.396) 5.002 16.469 ( -1.581 -6.174 15.054) 16.348 16.914 ( -0.025 -1.201 4.269) 4.434 18.460 ( 0.548 0.008 -7.051) 7.072 18.636 ( 6.224 3.375 -5.687) 9.082 19.146 ( 3.663 -4.675 -2.726) 6.535 19.271 ( 4.922 3.578 -2.651) 6.637 ======================= Grid point 48 (40/148) ======================= q-point: ( 0.21 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -24.439 0.000 19.629) 31.346 1.678 ( -34.721 0.000 3.922) 34.941 2.965 ( -47.585 0.000 29.318) 55.892 3.491 ( -0.710 -0.000 -7.160) 7.195 4.114 ( -10.628 0.000 15.971) 19.184 5.388 ( -21.881 0.000 -5.504) 22.562 5.880 ( 2.451 -0.000 -0.845) 2.592 6.576 ( -4.197 0.000 0.089) 4.198 6.639 ( 19.923 -0.000 -0.410) 19.927 6.914 ( 3.135 -0.000 -10.072) 10.548 7.612 ( 4.205 0.000 10.986) 11.763 8.505 ( -20.332 0.000 0.650) 20.343 8.748 ( -7.710 0.000 16.049) 17.805 9.159 ( -20.821 0.000 -2.119) 20.929 9.465 ( -31.081 0.000 0.012) 31.081 9.811 ( 4.728 -0.000 -4.961) 6.853 10.953 ( 12.102 -0.000 -1.226) 12.164 11.080 ( 11.272 -0.000 -10.529) 15.424 11.220 ( 4.235 -0.000 -0.057) 4.236 11.427 ( 11.101 -0.000 1.276) 11.174 11.622 ( 3.531 -0.000 -7.897) 8.651 11.657 ( -2.539 -0.000 -7.358) 7.784 11.741 ( 0.009 -0.000 -1.458) 1.458 11.949 ( -2.287 0.000 4.803) 5.320 12.060 ( -0.114 0.000 12.934) 12.934 12.280 ( 2.645 -0.000 0.488) 2.689 12.795 ( 24.390 -0.000 -1.673) 24.447 13.683 ( 1.957 -0.000 -3.878) 4.344 13.986 ( -5.488 0.000 5.388) 7.691 14.253 ( -8.250 0.000 0.212) 8.253 14.355 ( 0.516 0.000 7.716) 7.733 14.743 ( -2.759 0.000 0.413) 2.789 15.102 ( -6.873 -0.000 -2.922) 7.468 15.118 ( -5.172 0.000 3.090) 6.024 15.597 ( -2.281 -0.000 -6.443) 6.835 16.019 ( -7.944 0.000 12.519) 14.827 16.497 ( -4.769 -0.000 -16.245) 16.931 17.221 ( -0.263 -0.000 -0.503) 0.567 17.862 ( 5.130 -0.000 1.296) 5.292 18.093 ( -1.551 -0.000 -15.401) 15.479 19.145 ( -7.028 0.000 5.504) 8.927 20.013 ( 13.293 0.000 18.771) 23.001 ======================= Grid point 49 (41/148) ======================= q-point: ( 0.21 -0.04 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -24.246 24.630 10.376) 36.086 1.484 ( -24.686 24.637 22.928) 41.738 2.339 ( -29.283 41.511 37.574) 63.186 3.531 ( 1.721 1.326 0.705) 2.284 3.921 ( -7.014 0.499 10.609) 12.728 4.921 ( -19.403 -2.758 -2.206) 19.722 6.129 ( 2.674 19.509 -1.572) 19.754 6.428 ( 0.114 -6.283 5.002) 8.031 6.986 ( 7.696 -1.313 -13.646) 15.722 7.214 ( 15.265 9.578 -3.863) 18.431 7.717 ( 3.550 -0.530 6.549) 7.468 8.011 ( -17.666 -7.363 3.137) 19.394 8.381 ( -3.755 -6.305 19.208) 20.562 8.903 ( -20.274 1.257 -0.992) 20.338 8.991 ( -20.379 13.776 5.112) 25.124 9.931 ( 2.497 5.312 -4.616) 7.467 10.950 ( -2.400 -7.766 -2.052) 8.384 11.103 ( 3.853 -7.433 -2.398) 8.709 11.302 ( 8.222 -14.188 -9.840) 19.124 11.493 ( 2.134 -8.739 -5.297) 10.440 11.550 ( 0.501 -7.076 -2.299) 7.457 11.669 ( 2.637 -0.188 0.065) 2.644 11.794 ( -1.419 7.041 -0.432) 7.196 11.977 ( -3.474 12.272 -0.235) 12.757 12.187 ( 0.813 4.946 9.145) 10.428 12.231 ( 1.137 -5.838 9.748) 11.419 13.257 ( 21.406 -3.090 -1.423) 21.675 13.617 ( 0.110 0.423 -6.028) 6.044 13.977 ( -11.081 -1.787 -0.941) 11.264 14.247 ( -2.254 -7.230 3.120) 8.191 14.724 ( 0.955 4.093 0.553) 4.239 14.779 ( 25.430 31.834 -5.162) 41.069 14.957 ( -3.874 -1.863 -2.406) 4.926 15.117 ( -2.892 8.247 3.973) 9.600 15.497 ( -6.457 0.557 1.209) 6.593 15.930 ( -1.733 2.035 7.566) 8.024 16.305 ( -19.272 4.346 -27.759) 34.072 17.114 ( -1.465 -7.095 0.133) 7.246 17.979 ( 2.671 5.046 0.639) 5.745 18.214 ( -0.950 13.629 -5.921) 14.890 19.006 ( -3.446 -2.075 3.277) 5.188 20.166 ( 14.678 -16.917 22.506) 31.751 ======================= Grid point 50 (42/148) ======================= q-point: (-0.29 -0.04 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -18.205 -20.981 -10.100) 29.557 2.803 ( -9.812 -25.648 -11.524) 29.780 3.570 ( -3.426 1.377 -1.844) 4.127 3.858 ( -2.953 7.845 2.831) 8.847 4.705 ( -22.642 4.625 3.051) 23.310 4.908 ( -1.502 -45.113 -13.162) 47.018 6.077 ( 5.028 11.766 -4.374) 13.522 6.649 ( 5.349 1.510 4.741) 7.305 7.452 ( 2.871 -23.692 -0.240) 23.867 7.551 ( -4.022 0.936 -1.292) 4.327 7.787 ( 6.807 -15.723 -7.737) 18.799 8.099 ( -14.762 -3.756 -7.284) 16.884 8.752 ( 19.940 -1.993 -13.202) 23.998 8.864 ( -14.968 0.204 -0.987) 15.002 9.586 ( -12.850 2.089 -1.873) 13.153 9.957 ( 0.428 25.031 19.591) 31.789 10.053 ( -0.103 -3.759 1.544) 4.065 10.556 ( 1.517 8.211 2.918) 8.845 10.755 ( -3.356 6.874 4.771) 9.016 10.830 ( 2.150 9.115 5.022) 10.627 11.185 ( 1.512 4.468 2.980) 5.580 11.723 ( -4.195 -1.400 1.324) 4.617 12.122 ( 12.167 -0.885 -8.589) 14.919 12.276 ( 1.157 -0.664 -12.501) 12.572 12.612 ( 4.372 -10.244 5.062) 12.234 12.763 ( -0.591 -10.902 -7.258) 13.110 13.158 ( 9.964 -0.941 -2.898) 10.420 13.608 ( -0.902 4.425 7.409) 8.677 13.817 ( -4.722 -0.715 0.475) 4.799 14.010 ( -8.813 3.086 -6.812) 11.558 14.514 ( 1.005 6.431 8.861) 10.995 14.806 ( -4.566 1.093 2.757) 5.445 15.297 ( 2.041 -2.527 0.961) 3.388 15.476 ( -1.615 -3.507 -2.919) 4.840 15.612 ( -4.683 -3.396 -2.356) 6.246 16.067 ( -2.091 0.710 -1.925) 2.930 16.273 ( -2.771 -9.643 13.683) 16.968 16.909 ( -0.262 1.490 4.254) 4.515 18.368 ( 2.182 -7.961 -4.738) 9.518 18.720 ( 0.263 -6.576 0.266) 6.586 19.017 ( 1.668 -5.250 -5.497) 7.782 19.693 ( 6.556 17.820 -4.953) 19.623 ======================= Grid point 51 (43/148) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -0.000 -8.397 -16.581) 18.586 3.017 ( -0.000 -17.705 -22.029) 28.262 3.564 ( -0.000 7.802 -1.554) 7.955 3.800 ( -0.000 17.055 -1.895) 17.160 4.379 ( 0.000 3.240 3.893) 5.065 5.114 ( 0.000 -32.414 -7.150) 33.193 6.250 ( -0.000 4.075 -7.769) 8.773 6.766 ( -0.000 9.829 -5.351) 11.191 7.456 ( 0.000 -23.280 2.846) 23.453 7.539 ( -0.000 6.154 -2.014) 6.475 8.021 ( -0.000 0.601 -5.189) 5.224 8.067 ( 0.000 -23.368 -10.817) 25.750 8.749 ( 0.000 -5.588 -1.332) 5.745 9.152 ( 0.000 -3.337 3.541) 4.866 9.476 ( -0.000 0.220 -2.537) 2.547 9.502 ( -0.000 33.836 16.655) 37.713 10.076 ( 0.000 -8.414 -4.049) 9.338 10.500 ( -0.000 10.307 4.764) 11.355 10.675 ( -0.000 6.752 2.301) 7.134 10.724 ( -0.000 4.686 3.617) 5.920 11.138 ( 0.000 0.478 4.615) 4.640 11.668 ( -0.000 0.351 -1.624) 1.662 12.368 ( -0.000 3.374 2.152) 4.002 12.460 ( 0.000 -8.918 1.635) 9.066 12.595 ( -0.000 -8.644 -8.288) 11.975 12.809 ( 0.000 -13.167 3.843) 13.717 13.298 ( -0.000 -1.145 -4.463) 4.607 13.385 ( 0.000 3.191 13.918) 14.279 13.937 ( -0.000 13.997 -16.574) 21.694 14.038 ( -0.000 -2.783 -8.668) 9.104 14.384 ( -0.000 10.727 7.944) 13.348 14.727 ( 0.000 -0.111 1.857) 1.860 15.293 ( 0.000 -0.479 0.365) 0.602 15.536 ( -0.000 2.715 1.610) 3.156 15.656 ( -0.000 -3.093 -12.020) 12.412 15.876 ( 0.000 -12.095 10.831) 16.236 16.286 ( -0.000 2.464 -10.404) 10.692 16.860 ( -0.000 2.363 -0.463) 2.408 18.429 ( 0.000 -7.521 0.399) 7.531 18.716 ( 0.000 -5.620 0.405) 5.635 19.112 ( 0.000 -10.211 -1.221) 10.284 19.775 ( -0.000 18.321 3.336) 18.623 ======================= Grid point 52 (44/148) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.000 30.907 0.000) 30.907 0.894 ( -0.000 44.521 0.000) 44.521 1.536 ( -0.000 75.691 0.000) 75.691 3.508 ( -0.000 0.400 0.000) 0.400 3.787 ( -0.000 3.801 0.000) 3.801 4.714 ( 0.000 -2.852 -0.000) 2.852 6.207 ( -0.000 20.194 0.000) 20.194 6.339 ( 0.000 -4.367 -0.000) 4.367 7.308 ( 0.000 -1.930 -0.000) 1.930 7.524 ( -0.000 2.400 0.000) 2.400 7.583 ( -0.000 1.784 0.000) 1.784 7.743 ( 0.000 -10.262 -0.000) 10.262 8.078 ( -0.000 8.668 0.000) 8.668 8.665 ( -0.000 11.496 0.000) 11.496 8.690 ( 0.000 -0.119 -0.000) 0.119 9.995 ( -0.000 7.626 0.000) 7.626 10.911 ( 0.000 -7.640 -0.000) 7.640 11.242 ( 0.000 -8.666 -0.000) 8.666 11.421 ( 0.000 -12.721 -0.000) 12.721 11.528 ( 0.000 -4.291 -0.000) 4.291 11.584 ( 0.000 -3.239 -0.000) 3.239 11.626 ( -0.000 2.386 0.000) 2.386 11.758 ( -0.000 0.610 0.000) 0.610 11.953 ( -0.000 17.293 0.000) 17.293 12.028 ( -0.000 9.963 0.000) 9.963 12.187 ( 0.000 -11.332 -0.000) 11.332 13.700 ( 0.000 -4.449 -0.000) 4.449 13.701 ( 0.000 -0.435 -0.000) 0.435 13.707 ( 0.000 -1.455 -0.000) 1.455 14.192 ( 0.000 -8.845 -0.000) 8.845 14.736 ( -0.000 3.258 0.000) 3.258 14.926 ( 0.000 -3.907 -0.000) 3.907 15.033 ( -0.000 8.082 0.000) 8.082 15.345 ( 0.000 -0.596 -0.000) 0.596 15.704 ( 0.000 -2.679 -0.000) 2.679 15.849 ( -0.000 2.492 0.000) 2.492 16.735 ( -0.000 4.844 0.000) 4.844 16.776 ( -0.000 2.816 0.000) 2.816 18.004 ( -0.000 5.046 0.000) 5.046 18.373 ( -0.000 4.104 0.000) 4.104 18.936 ( 0.000 -1.847 -0.000) 1.847 19.827 ( 0.000 -4.095 -0.000) 4.095 ======================= Grid point 53 (45/148) ======================= q-point: ( 0.06 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 32.955 23.977 0.000) 40.755 1.932 ( 13.922 38.316 0.000) 40.767 3.168 ( 15.070 67.268 0.000) 68.935 3.539 ( 2.251 0.149 0.000) 2.256 3.885 ( 0.438 4.345 -0.000) 4.367 4.871 ( 21.609 -4.150 0.000) 22.004 6.204 ( 0.355 -10.575 0.000) 10.581 6.688 ( -4.696 30.393 -0.000) 30.754 7.189 ( -5.559 4.911 -0.000) 7.417 7.399 ( -8.761 6.016 -0.000) 10.628 7.603 ( -0.666 -5.226 0.000) 5.268 7.950 ( 18.878 -0.763 0.000) 18.893 8.026 ( -13.154 2.843 -0.000) 13.458 8.910 ( 20.614 -0.856 0.000) 20.632 9.211 ( 19.870 13.063 0.000) 23.779 10.127 ( -5.064 7.295 -0.000) 8.880 10.757 ( 1.929 -12.255 0.000) 12.406 10.925 ( -4.336 -15.893 -0.000) 16.473 11.117 ( -3.381 -13.684 -0.000) 14.095 11.386 ( -0.273 -9.514 0.000) 9.518 11.438 ( -3.293 -11.239 -0.000) 11.712 11.633 ( -6.775 4.427 -0.000) 8.093 11.874 ( 2.131 -11.897 0.000) 12.086 11.919 ( 7.188 1.995 0.000) 7.460 12.243 ( 0.781 10.824 -0.000) 10.852 12.387 ( -0.738 24.737 -0.000) 24.748 13.153 ( -24.532 -6.993 -0.000) 25.509 13.734 ( -1.590 5.262 -0.000) 5.497 13.937 ( 9.852 -3.099 0.000) 10.327 14.042 ( 6.582 -11.482 0.000) 13.235 14.763 ( -1.463 1.061 -0.000) 1.808 14.905 ( 6.952 -3.461 0.000) 7.766 15.225 ( -2.992 8.340 -0.000) 8.861 15.399 ( -12.469 13.025 -0.000) 18.031 15.447 ( 10.490 -1.687 0.000) 10.625 15.920 ( -0.639 3.442 -0.000) 3.500 16.833 ( -1.582 4.467 -0.000) 4.739 16.963 ( 6.673 0.456 0.000) 6.688 18.079 ( -3.028 4.733 -0.000) 5.619 18.532 ( 0.892 10.913 -0.000) 10.950 18.877 ( -0.506 -5.215 0.000) 5.239 19.628 ( -5.763 -7.733 -0.000) 9.644 ======================= Grid point 54 (46/148) ======================= q-point: (-0.44 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 4.909 -11.720 -24.699) 27.776 2.898 ( 16.610 -12.298 -28.140) 34.914 3.689 ( -3.586 4.145 -6.519) 8.517 4.053 ( 3.536 -4.236 -9.039) 10.590 4.547 ( 4.979 -13.414 -18.429) 23.331 4.710 ( 22.223 3.204 4.441) 22.888 6.265 ( -5.987 1.594 -1.690) 6.422 6.616 ( -2.798 -16.750 -8.194) 18.856 7.035 ( -8.114 -6.932 -5.889) 12.189 7.424 ( -12.737 -14.702 -0.452) 19.457 7.914 ( 8.572 6.972 -6.228) 12.683 8.199 ( 11.365 -0.039 -8.065) 13.936 8.776 ( 7.216 -3.408 2.984) 8.520 8.955 ( 4.121 0.045 -6.446) 7.651 9.628 ( 11.032 -4.533 -3.994) 12.578 9.905 ( -2.517 -3.155 1.774) 4.408 10.062 ( -1.289 17.026 19.223) 25.711 10.620 ( -5.139 7.404 5.664) 10.644 10.836 ( -3.532 11.938 11.999) 17.291 10.975 ( 6.392 9.524 -2.722) 11.789 11.145 ( -0.435 4.099 9.493) 10.349 11.699 ( 1.631 -1.257 -1.727) 2.688 12.205 ( -9.993 -6.305 -3.355) 12.283 12.257 ( -1.265 -8.419 -5.266) 10.010 12.429 ( -0.564 -6.231 0.812) 6.309 12.667 ( 2.664 -2.910 -1.761) 4.321 13.101 ( -11.821 -5.944 4.021) 13.828 13.442 ( 1.242 1.899 3.091) 3.835 14.059 ( 4.538 2.683 -7.814) 9.426 14.331 ( 2.089 9.877 -9.132) 13.613 14.522 ( -2.555 9.175 1.557) 9.650 14.774 ( 3.298 1.602 3.539) 5.096 15.188 ( -6.871 -8.744 -2.478) 11.393 15.513 ( 3.640 -3.399 -1.114) 5.104 15.645 ( 2.812 -3.186 -9.859) 10.735 15.769 ( 7.448 -4.174 4.453) 9.630 16.332 ( 2.254 0.822 -11.774) 12.016 16.946 ( 1.663 4.772 -0.298) 5.062 18.181 ( -4.790 -12.057 2.122) 13.146 18.492 ( -1.426 -14.498 -0.906) 14.596 19.045 ( 2.651 1.424 1.201) 3.239 20.062 ( -6.195 16.320 3.839) 17.873 ======================= Grid point 55 (47/148) ======================= q-point: (-0.44 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 9.119 -4.619 -24.946) 26.959 2.803 ( 7.401 -24.731 -22.288) 34.105 3.564 ( -8.863 -1.457 -9.508) 13.080 4.098 ( 16.475 1.644 -16.629) 23.466 4.698 ( 9.304 -0.575 -12.527) 15.615 5.235 ( 18.890 -0.078 0.825) 18.909 5.979 ( -7.297 -12.190 1.469) 14.283 6.413 ( -2.049 0.820 -6.288) 6.664 6.801 ( -10.798 -15.200 -1.902) 18.741 6.888 ( 2.070 0.479 -1.606) 2.663 8.033 ( -1.813 -0.655 -6.543) 6.821 8.579 ( 12.033 12.025 -10.080) 19.774 9.059 ( 18.973 3.765 -4.861) 19.945 9.336 ( 21.840 3.645 1.227) 22.176 9.670 ( 3.924 -6.393 -7.776) 10.804 9.771 ( 2.485 -8.435 -0.526) 8.809 10.145 ( -12.343 5.408 26.036) 29.316 10.685 ( -2.198 4.324 7.708) 9.107 10.932 ( -7.709 12.013 13.011) 19.314 11.163 ( 2.946 4.649 2.758) 6.157 11.402 ( 3.986 7.266 2.082) 8.545 11.615 ( -7.289 -2.212 -2.891) 8.148 11.876 ( -6.570 -5.316 -4.880) 9.760 12.129 ( 2.139 -6.408 -2.395) 7.167 12.302 ( -2.354 -2.995 1.688) 4.166 12.649 ( -11.612 -3.325 -5.873) 13.431 12.705 ( -4.806 -1.620 1.432) 5.270 13.502 ( -2.275 3.292 1.525) 4.282 14.200 ( 6.007 -1.390 -1.503) 6.346 14.307 ( -1.031 -2.915 3.150) 4.414 14.750 ( -0.744 -3.303 -6.091) 6.969 14.786 ( 1.755 3.471 -4.258) 5.767 14.984 ( -0.422 5.889 -7.085) 9.223 15.522 ( -0.857 -3.070 -1.437) 3.496 15.587 ( 1.067 -5.644 -12.462) 13.722 15.904 ( 8.333 -0.372 9.163) 12.390 16.451 ( 7.242 1.340 -11.697) 13.822 17.123 ( 4.313 6.266 -0.466) 7.621 17.834 ( -8.925 -5.538 3.783) 11.164 18.120 ( -4.097 -16.076 -0.230) 16.591 19.231 ( 9.136 3.543 0.949) 9.845 20.158 ( -10.231 9.654 3.364) 14.464 ======================= Grid point 56 (48/148) ======================= q-point: ( 0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 22.940 19.614 0.000) 30.182 2.883 ( 10.380 28.937 0.000) 30.742 3.619 ( 4.326 1.999 0.000) 4.766 3.933 ( -1.629 1.763 -0.000) 2.400 4.727 ( 14.002 53.340 0.000) 55.147 5.422 ( 36.808 -1.438 0.000) 36.836 5.941 ( 1.660 -17.314 0.000) 17.394 7.014 ( -3.384 6.398 -0.000) 7.238 7.281 ( 0.096 1.168 -0.000) 1.172 7.504 ( -10.203 10.010 -0.000) 14.293 7.554 ( -7.645 30.090 -0.000) 31.046 7.793 ( -6.094 -1.060 -0.000) 6.185 8.296 ( 16.358 -3.625 0.000) 16.755 9.384 ( 28.017 -5.928 0.000) 28.637 9.702 ( 1.687 -3.388 0.000) 3.784 10.043 ( -4.059 5.909 -0.000) 7.169 10.417 ( -1.309 -23.510 0.000) 23.547 10.502 ( -1.879 -10.752 0.000) 10.915 10.755 ( -8.473 -8.883 -0.000) 12.276 11.194 ( 1.752 -9.648 0.000) 9.806 11.234 ( 0.005 -2.194 0.000) 2.194 11.505 ( -15.170 5.606 -0.000) 16.173 11.711 ( 3.035 -9.373 0.000) 9.852 12.218 ( 11.172 5.311 0.000) 12.370 12.398 ( -10.402 2.146 -0.000) 10.621 12.569 ( -10.992 -0.502 -0.000) 11.004 12.852 ( -2.813 24.156 -0.000) 24.320 13.837 ( -2.830 9.880 -0.000) 10.277 13.897 ( 0.600 -14.420 0.000) 14.432 13.958 ( 6.050 -10.761 0.000) 12.345 14.823 ( 3.700 4.294 0.000) 5.669 15.090 ( 14.186 -1.717 0.000) 14.290 15.225 ( -6.577 6.738 -0.000) 9.415 15.643 ( 3.750 9.388 0.000) 10.109 15.671 ( 15.271 -2.424 0.000) 15.462 15.969 ( -1.594 5.976 -0.000) 6.185 16.894 ( -2.086 5.703 -0.000) 6.073 17.062 ( 1.188 2.077 0.000) 2.393 18.072 ( -5.608 4.239 -0.000) 7.030 18.621 ( -7.623 -13.192 -0.000) 15.236 18.818 ( 0.950 14.675 -0.000) 14.706 19.356 ( -2.754 -9.289 -0.000) 9.688 ======================= Grid point 57 (49/148) ======================= q-point: ( 0.06 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 6.260 11.247 0.000) 12.872 3.391 ( 0.758 9.462 -0.000) 9.492 3.845 ( 3.242 10.748 0.000) 11.226 3.888 ( -1.835 -2.473 -0.000) 3.079 5.567 ( 4.196 -26.179 0.000) 26.513 5.725 ( 1.648 31.387 -0.000) 31.430 6.230 ( 32.882 1.735 0.000) 32.928 7.019 ( 4.706 -2.294 0.000) 5.235 7.111 ( -1.625 -15.603 0.000) 15.688 7.364 ( -21.210 13.726 -0.000) 25.264 8.068 ( 8.976 17.721 0.000) 19.865 8.134 ( 3.280 23.838 -0.000) 24.063 8.313 ( 0.972 -6.627 0.000) 6.697 9.005 ( -27.332 -24.049 -0.000) 36.405 9.716 ( 23.332 -9.925 0.000) 25.355 10.263 ( 3.069 2.443 0.000) 3.923 10.276 ( 15.270 -5.415 0.000) 16.202 10.375 ( 3.337 -2.861 0.000) 4.395 10.484 ( -8.307 1.166 -0.000) 8.389 11.004 ( -11.286 -2.356 -0.000) 11.529 11.270 ( -0.349 4.516 -0.000) 4.529 11.335 ( -9.217 6.254 -0.000) 11.138 11.625 ( 6.313 -7.629 0.000) 9.902 12.043 ( -13.008 0.100 -0.000) 13.008 12.489 ( 5.997 1.535 0.000) 6.190 12.592 ( -0.676 1.183 -0.000) 1.362 13.262 ( 0.598 20.908 -0.000) 20.916 13.459 ( -6.682 -21.023 -0.000) 22.059 13.817 ( 5.557 -13.957 0.000) 15.023 14.024 ( -3.452 14.792 -0.000) 15.190 15.016 ( 5.026 1.900 0.000) 5.373 15.208 ( -4.673 1.355 -0.000) 4.866 15.319 ( 12.490 -2.357 0.000) 12.711 15.694 ( -3.823 -1.112 -0.000) 3.982 15.916 ( 14.624 -8.327 0.000) 16.828 16.218 ( 1.828 14.658 -0.000) 14.771 17.000 ( -0.121 7.203 -0.000) 7.204 17.080 ( -3.337 -0.431 -0.000) 3.364 18.080 ( -4.302 9.422 -0.000) 10.358 18.105 ( -8.321 -17.174 -0.000) 19.084 19.120 ( -0.018 13.732 -0.000) 13.732 19.127 ( -0.485 -11.298 0.000) 11.309 ======================= Grid point 58 (50/148) ======================= q-point: (-0.44 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 3.680 -0.000 -12.642) 13.166 2.589 ( 6.560 -0.000 -16.717) 17.958 3.374 ( -5.999 -0.000 -5.925) 8.432 4.544 ( 15.202 -0.000 -6.213) 16.422 4.822 ( 6.774 -0.000 -7.112) 9.821 5.385 ( -0.613 -0.000 -4.303) 4.347 5.625 ( -11.171 0.000 3.355) 11.664 6.417 ( -3.548 0.000 0.903) 3.661 6.458 ( -1.091 -0.000 -6.471) 6.563 7.249 ( 22.854 -0.000 2.416) 22.981 8.027 ( 3.339 -0.000 -5.451) 6.392 8.838 ( -0.823 -0.000 -10.165) 10.198 9.458 ( -13.824 0.000 1.995) 13.968 9.660 ( 25.231 -0.000 -5.659) 25.858 9.674 ( 4.256 -0.000 -9.211) 10.147 9.896 ( 20.555 0.000 9.539) 22.661 9.943 ( -9.491 0.000 20.474) 22.567 10.708 ( 4.013 -0.000 -1.025) 4.142 10.949 ( -8.251 0.000 4.852) 9.572 11.260 ( 3.422 0.000 7.363) 8.119 11.306 ( -16.577 0.000 -1.594) 16.654 11.446 ( -5.367 0.000 -1.620) 5.606 11.795 ( 1.624 -0.000 -1.034) 1.925 12.113 ( 2.084 0.000 1.008) 2.315 12.224 ( -2.166 0.000 0.686) 2.272 12.308 ( -12.808 0.000 2.060) 12.972 12.692 ( 1.666 -0.000 -10.072) 10.209 13.447 ( -4.257 0.000 2.977) 5.195 14.269 ( 4.963 -0.000 -0.834) 5.033 14.346 ( 3.805 0.000 2.522) 4.565 14.626 ( -2.424 -0.000 -2.488) 3.474 14.895 ( 2.228 -0.000 -5.069) 5.537 15.129 ( 1.451 -0.000 -4.987) 5.194 15.367 ( -4.984 -0.000 -4.144) 6.482 15.543 ( 0.988 -0.000 -3.464) 3.602 16.035 ( 3.809 0.000 6.625) 7.642 16.635 ( 7.265 -0.000 -8.156) 10.922 17.314 ( 6.195 -0.000 -0.998) 6.275 17.703 ( -7.442 0.000 3.190) 8.096 17.723 ( -6.202 0.000 1.053) 6.291 19.503 ( 12.327 -0.000 0.012) 12.327 20.021 ( -12.099 0.000 1.939) 12.253 ======================= Grid point 59 (51/148) ======================= q-point: (-0.44 -0.06 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 0.000 7.626 0.000) 7.626 2.895 ( -0.000 29.179 -0.000) 29.179 3.352 ( -0.000 3.992 0.000) 3.992 4.546 ( -0.000 -12.652 0.000) 12.652 4.891 ( -0.000 -2.803 0.000) 2.803 5.419 ( -0.000 6.566 0.000) 6.566 5.723 ( -0.000 17.487 0.000) 17.487 6.491 ( 0.000 11.023 -0.000) 11.023 6.497 ( -0.000 6.612 0.000) 6.612 7.420 ( -0.000 -10.497 0.000) 10.497 8.143 ( -0.000 0.092 0.000) 0.092 8.703 ( -0.000 -4.990 -0.000) 4.990 9.244 ( -0.000 -1.666 0.000) 1.666 9.639 ( 0.000 -14.879 -0.000) 14.879 9.656 ( -0.000 -5.935 0.000) 5.935 9.991 ( 0.000 -1.503 -0.000) 1.503 10.242 ( 0.000 7.114 0.000) 7.114 10.793 ( 0.000 -4.930 0.000) 4.930 10.860 ( -0.000 4.132 0.000) 4.132 11.055 ( -0.000 -1.868 0.000) 1.868 11.279 ( 0.000 -4.045 -0.000) 4.045 11.332 ( -0.000 2.390 0.000) 2.390 11.772 ( -0.000 -8.975 0.000) 8.975 12.182 ( -0.000 7.100 0.000) 7.100 12.195 ( -0.000 5.113 0.000) 5.113 12.253 ( 0.000 5.455 -0.000) 5.455 12.753 ( -0.000 2.333 -0.000) 2.333 13.399 ( -0.000 0.514 0.000) 0.514 14.349 ( -0.000 -1.640 0.000) 1.640 14.406 ( -0.000 4.037 -0.000) 4.037 14.652 ( -0.000 5.382 -0.000) 5.382 14.929 ( 0.000 -13.632 -0.000) 13.632 14.948 ( -0.000 2.186 0.000) 2.186 15.428 ( 0.000 4.871 0.000) 4.871 15.641 ( -0.000 8.325 0.000) 8.325 16.059 ( -0.000 -1.104 0.000) 1.104 16.685 ( -0.000 -2.999 0.000) 2.999 17.315 ( -0.000 -13.301 0.000) 13.301 17.496 ( -0.000 8.636 0.000) 8.636 18.001 ( -0.000 19.670 0.000) 19.670 19.663 ( -0.000 -9.092 0.000) 9.092 19.716 ( 0.000 -5.372 0.000) 5.372 ======================= Grid point 61 (52/148) ======================= q-point: ( 0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -11.705 -3.463 -0.000) 12.206 3.375 ( -9.726 -2.667 -0.000) 10.085 3.787 ( -2.904 -1.504 -0.000) 3.270 3.975 ( -3.291 1.141 -0.000) 3.483 5.073 ( -0.105 -28.239 0.000) 28.239 6.138 ( -6.998 17.134 -0.000) 18.508 6.640 ( -11.377 -15.540 -0.000) 19.259 6.663 ( 20.244 -10.477 0.000) 22.795 7.134 ( 11.021 -6.123 0.000) 12.608 7.274 ( -13.701 10.375 -0.000) 17.186 7.797 ( -26.970 -30.379 -0.000) 40.624 7.972 ( -3.705 -2.882 -0.000) 4.693 8.662 ( 0.903 20.296 -0.000) 20.316 8.976 ( 17.355 21.773 0.000) 27.844 10.086 ( 22.022 -0.451 0.000) 22.027 10.274 ( -2.801 3.660 -0.000) 4.609 10.340 ( -3.824 -3.648 -0.000) 5.285 10.409 ( -7.879 7.567 -0.000) 10.924 10.642 ( 22.306 -0.353 0.000) 22.309 10.739 ( -15.535 4.650 -0.000) 16.216 11.313 ( -5.325 4.834 -0.000) 7.192 11.377 ( -4.155 10.809 -0.000) 11.580 11.730 ( 13.971 -1.685 0.000) 14.072 11.890 ( -5.876 2.850 -0.000) 6.531 12.509 ( -0.336 -4.110 0.000) 4.124 12.522 ( -1.899 -5.769 -0.000) 6.074 12.867 ( -5.101 -23.576 -0.000) 24.121 13.674 ( 4.407 -9.759 0.000) 10.708 13.728 ( 5.594 17.622 0.000) 18.489 14.242 ( -5.455 14.736 -0.000) 15.713 15.009 ( 4.014 -11.152 0.000) 11.852 15.034 ( -7.021 -5.789 -0.000) 9.100 15.545 ( 8.524 1.005 0.000) 8.583 15.592 ( -6.474 1.830 -0.000) 6.728 15.854 ( 4.596 -15.421 0.000) 16.091 16.424 ( -13.512 10.925 -0.000) 17.376 16.808 ( -2.796 -13.829 -0.000) 14.109 17.107 ( -0.702 3.058 -0.000) 3.137 17.817 ( 3.996 -6.200 0.000) 7.376 18.353 ( 3.573 17.478 0.000) 17.840 18.862 ( -0.854 -13.519 0.000) 13.546 19.349 ( -1.393 10.438 -0.000) 10.531 ======================= Grid point 62 (53/148) ======================= q-point: ( 0.06 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -23.975 -14.993 -0.000) 28.277 2.812 ( -21.108 -20.749 -0.000) 29.598 3.703 ( -5.261 1.194 -0.000) 5.395 3.815 ( -4.946 -13.181 -0.000) 14.078 4.354 ( -21.246 -18.189 -0.000) 27.968 6.054 ( -22.963 -7.412 -0.000) 24.130 6.242 ( -1.770 6.135 -0.000) 6.385 6.691 ( -12.683 -28.480 -0.000) 31.177 6.844 ( 19.227 -9.984 0.000) 21.665 7.066 ( 3.697 -13.233 0.000) 13.740 7.296 ( -6.819 7.084 -0.000) 9.833 8.106 ( -2.112 17.147 -0.000) 17.276 8.763 ( -18.221 7.871 -0.000) 19.848 9.604 ( 14.868 4.252 0.000) 15.464 10.010 ( -12.023 -9.968 -0.000) 15.618 10.131 ( -29.249 5.687 -0.000) 29.797 10.537 ( 5.873 5.501 0.000) 8.046 10.588 ( 20.980 5.246 0.000) 21.626 10.791 ( 5.372 18.968 0.000) 19.714 11.100 ( 18.451 1.479 0.000) 18.511 11.330 ( -1.504 5.048 -0.000) 5.267 11.525 ( -6.170 13.838 -0.000) 15.152 11.876 ( 0.776 0.355 0.000) 0.853 12.108 ( 17.222 2.841 0.000) 17.455 12.247 ( -5.517 -13.484 -0.000) 14.569 12.375 ( 1.012 -5.831 0.000) 5.918 12.411 ( -1.265 -14.110 0.000) 14.166 13.620 ( 3.346 -3.721 0.000) 5.004 14.114 ( 1.890 10.713 -0.000) 10.878 14.334 ( -7.411 7.272 -0.000) 10.383 14.779 ( 5.876 -21.252 0.000) 22.050 14.805 ( -4.712 -2.336 -0.000) 5.260 15.406 ( -13.789 -1.200 -0.000) 13.842 15.479 ( -3.619 -11.519 -0.000) 12.074 15.766 ( 6.529 -3.882 0.000) 7.596 16.060 ( -17.550 -0.828 -0.000) 17.569 16.718 ( 3.368 -3.641 0.000) 4.960 17.127 ( -1.853 2.801 -0.000) 3.358 17.860 ( 6.518 -3.529 0.000) 7.412 18.582 ( -1.036 -11.381 0.000) 11.428 18.788 ( 3.997 14.325 0.000) 14.872 19.499 ( -0.448 7.567 -0.000) 7.580 ======================= Grid point 63 (54/148) ======================= q-point: ( 0.56 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -11.222 15.536 6.492) 20.235 3.487 ( -2.171 10.755 4.454) 11.842 3.568 ( -1.968 26.834 14.604) 30.614 4.235 ( -4.421 -6.037 3.317) 8.185 4.740 ( -1.729 -8.354 1.977) 8.757 5.560 ( -6.526 8.895 -0.879) 11.067 5.987 ( 5.324 -0.513 2.502) 5.905 6.684 ( -7.280 16.130 2.863) 17.927 6.974 ( 4.709 13.660 -5.253) 15.375 7.017 ( -6.303 6.599 5.747) 10.784 8.043 ( -4.300 1.244 4.328) 6.226 8.515 ( -5.746 -11.405 8.641) 15.419 9.163 ( -7.995 -13.397 12.489) 19.985 9.371 ( 8.678 -6.290 -8.543) 13.706 9.695 ( 6.306 -4.588 -22.664) 23.968 9.856 ( -7.382 -2.873 2.258) 8.237 10.236 ( -5.696 8.915 1.713) 10.717 10.484 ( -3.511 -16.486 -7.403) 18.410 10.762 ( -9.264 -0.865 0.209) 9.307 11.127 ( 6.541 -3.156 -1.202) 7.361 11.193 ( -1.274 -9.761 7.689) 12.491 11.565 ( 6.103 6.336 -1.190) 8.878 11.650 ( 12.175 -6.856 -1.848) 14.095 12.298 ( -0.261 5.838 2.367) 6.305 12.403 ( -0.032 8.270 -1.908) 8.487 12.511 ( 7.792 8.531 -3.742) 12.145 12.791 ( -1.085 7.736 4.779) 9.158 13.453 ( 0.853 2.112 -1.558) 2.760 14.248 ( -0.940 -4.180 -4.203) 6.001 14.367 ( -3.485 -7.177 -0.555) 7.998 14.665 ( -5.201 -6.437 12.204) 14.745 14.885 ( 4.846 10.248 -1.774) 11.474 14.967 ( -3.566 4.037 -1.466) 5.582 15.529 ( 2.967 1.607 1.006) 3.522 15.784 ( -3.218 7.605 9.323) 12.454 16.014 ( -2.250 -0.280 -8.962) 9.244 16.543 ( -6.494 -3.147 7.628) 10.500 17.056 ( -2.380 -8.013 1.072) 8.427 17.841 ( 8.541 14.429 -3.336) 17.096 18.411 ( 1.673 18.041 0.146) 18.119 19.282 ( -7.886 -10.623 -0.410) 13.237 19.705 ( 9.183 -13.387 -0.545) 16.243 ======================= Grid point 64 (55/148) ======================= q-point: ( 0.56 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -13.315 18.278 5.210) 23.206 3.418 ( -14.830 3.753 15.427) 21.725 3.700 ( -5.486 3.327 5.711) 8.590 3.999 ( -7.855 -16.640 3.143) 18.667 4.982 ( 7.085 27.049 -0.192) 27.962 5.250 ( -31.345 0.416 -1.561) 31.387 6.021 ( 9.337 -9.065 6.440) 14.520 6.518 ( 3.685 -7.501 1.009) 8.418 7.395 ( 1.262 19.732 -3.899) 20.153 7.596 ( 2.447 20.896 4.449) 21.505 7.957 ( -4.216 4.183 10.150) 11.760 8.374 ( 3.031 5.685 5.275) 8.327 8.760 ( -5.538 -11.064 6.632) 14.038 9.092 ( -5.915 -16.076 -9.145) 19.418 9.534 ( -7.923 -13.963 -12.551) 20.378 9.772 ( -1.727 0.061 -0.523) 1.806 10.228 ( -1.613 2.120 -1.147) 2.900 10.402 ( 5.206 2.085 1.361) 5.771 10.606 ( -0.343 -4.345 -5.923) 7.354 10.884 ( -5.501 -12.601 1.419) 13.822 11.124 ( -1.918 0.847 -1.688) 2.691 11.783 ( 0.770 3.892 0.244) 3.975 11.859 ( 17.560 -2.875 1.427) 17.851 12.394 ( 1.190 3.583 3.295) 5.011 12.465 ( 3.610 -2.665 -3.465) 5.669 12.759 ( 4.751 8.239 -1.738) 9.668 13.157 ( 2.412 17.957 5.706) 18.995 13.442 ( -3.136 -1.113 -7.565) 8.264 14.049 ( -3.457 -12.790 7.711) 15.330 14.233 ( 4.651 -3.293 -11.443) 12.784 14.381 ( -10.157 -5.440 13.055) 17.413 14.882 ( -8.148 2.731 -4.118) 9.530 15.223 ( 4.703 6.069 0.967) 7.738 15.553 ( -0.366 -1.350 2.185) 2.594 15.818 ( -5.348 4.524 8.305) 10.865 15.997 ( -2.688 4.535 -11.429) 12.587 16.343 ( -4.684 -3.779 9.139) 10.942 16.907 ( -1.692 -3.040 0.831) 3.578 18.321 ( 6.281 14.332 -1.398) 15.710 18.714 ( -0.049 6.511 -0.542) 6.534 19.046 ( 0.920 0.283 0.501) 1.085 19.569 ( 7.611 -16.693 -1.048) 18.376 ======================= Grid point 65 (56/148) ======================= q-point: ( 0.06 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -23.896 -34.676 -0.000) 42.113 1.862 ( -33.391 -16.874 -0.000) 37.412 2.824 ( -46.452 -22.394 -0.000) 51.568 3.615 ( -4.941 0.582 -0.000) 4.976 3.917 ( -8.222 -1.682 -0.000) 8.392 5.446 ( -27.216 0.214 -0.000) 27.217 6.098 ( 1.108 -19.715 0.000) 19.746 6.399 ( 0.774 8.349 -0.000) 8.385 6.833 ( 10.080 -12.587 0.000) 16.125 7.160 ( 19.995 -5.555 0.000) 20.752 7.353 ( -1.993 7.180 -0.000) 7.452 8.361 ( -9.349 17.160 -0.000) 19.542 8.435 ( -21.550 4.903 -0.000) 22.100 9.360 ( -18.516 -13.191 -0.000) 22.734 9.486 ( -32.618 -0.843 -0.000) 32.629 9.903 ( 6.036 -2.977 0.000) 6.731 10.870 ( 11.658 6.954 0.000) 13.575 11.121 ( 17.750 6.314 0.000) 18.839 11.132 ( -4.212 8.003 -0.000) 9.044 11.411 ( 10.480 -0.005 0.000) 10.480 11.601 ( 6.833 13.048 0.000) 14.729 11.642 ( -6.474 10.657 -0.000) 12.469 11.843 ( -0.957 -11.150 0.000) 11.191 11.957 ( 7.293 -7.218 0.000) 10.261 12.055 ( -3.062 -10.296 -0.000) 10.742 12.215 ( -5.442 3.081 -0.000) 6.254 12.764 ( 24.058 4.717 0.000) 24.516 13.653 ( 1.840 1.547 0.000) 2.404 14.176 ( -6.557 4.281 -0.000) 7.831 14.303 ( -4.671 1.156 -0.000) 4.812 14.405 ( 9.872 -33.169 0.000) 34.607 14.731 ( -1.849 0.239 -0.000) 1.864 15.125 ( -9.245 0.579 -0.000) 9.263 15.178 ( -5.145 -8.076 -0.000) 9.576 15.769 ( -14.957 1.958 -0.000) 15.085 15.796 ( 3.189 -3.014 0.000) 4.388 16.706 ( 2.498 -2.868 0.000) 3.803 17.166 ( -1.845 5.053 -0.000) 5.379 17.897 ( 4.855 -4.313 0.000) 6.494 18.399 ( -0.816 -4.744 0.000) 4.814 18.998 ( -2.115 5.006 -0.000) 5.435 19.672 ( 3.250 6.193 0.000) 6.994 ======================= Grid point 66 (57/148) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -31.426 0.000 -0.000) 31.426 0.854 ( -41.037 0.000 -0.000) 41.037 1.387 ( -65.061 0.000 -0.000) 65.061 3.535 ( -2.953 0.000 -0.000) 2.953 3.765 ( -4.320 0.000 -0.000) 4.320 4.982 ( -17.629 0.000 -0.000) 17.629 5.923 ( 1.579 -0.000 0.000) 1.579 6.424 ( -3.980 0.000 -0.000) 3.980 7.085 ( 19.894 -0.000 0.000) 19.894 7.461 ( 2.423 -0.000 0.000) 2.423 7.509 ( 20.101 -0.000 0.000) 20.101 8.172 ( -12.173 0.000 -0.000) 12.173 8.303 ( -16.231 0.000 -0.000) 16.231 8.770 ( -19.108 0.000 -0.000) 19.108 8.905 ( -19.947 0.000 -0.000) 19.947 9.914 ( 0.383 -0.000 0.000) 0.383 11.083 ( -2.248 0.000 -0.000) 2.248 11.235 ( 8.248 -0.000 0.000) 8.248 11.473 ( 7.994 -0.000 0.000) 7.994 11.557 ( 4.402 -0.000 0.000) 4.402 11.636 ( -2.101 0.000 -0.000) 2.101 11.676 ( -5.530 0.000 -0.000) 5.530 11.777 ( -0.212 0.000 -0.000) 0.212 11.857 ( 1.703 -0.000 0.000) 1.703 12.115 ( 7.653 -0.000 0.000) 7.653 12.336 ( 3.032 -0.000 0.000) 3.032 13.310 ( 23.160 -0.000 0.000) 23.160 13.762 ( 1.134 -0.000 0.000) 1.134 13.830 ( -3.404 0.000 -0.000) 3.404 14.032 ( -11.989 0.000 -0.000) 11.989 14.278 ( 0.746 -0.000 0.000) 0.746 14.704 ( -0.854 0.000 -0.000) 0.854 14.987 ( -4.139 0.000 -0.000) 4.139 15.010 ( -4.175 0.000 -0.000) 4.175 15.492 ( -12.360 0.000 -0.000) 12.360 15.807 ( 1.439 -0.000 0.000) 1.439 16.724 ( 2.009 -0.000 0.000) 2.009 17.243 ( 0.660 -0.000 0.000) 0.660 17.921 ( 2.468 -0.000 0.000) 2.468 18.342 ( -0.549 0.000 -0.000) 0.549 18.981 ( -2.493 0.000 -0.000) 2.493 19.807 ( 2.265 -0.000 0.000) 2.265 ======================= Grid point 67 (58/148) ======================= q-point: (-0.44 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -14.355 -0.000 -0.000) 14.355 3.383 ( -4.625 -0.000 -0.000) 4.625 3.533 ( -5.235 0.000 0.000) 5.235 3.566 ( -7.897 0.000 0.000) 7.897 4.610 ( -24.451 0.000 0.000) 24.451 5.494 ( 2.906 -0.000 0.000) 2.906 6.088 ( 9.950 -0.000 0.000) 9.950 6.531 ( 5.116 0.000 0.000) 5.116 7.540 ( -5.852 -0.000 0.000) 5.852 7.635 ( 3.441 0.000 -0.000) 3.441 8.220 ( -16.163 0.000 0.000) 16.163 8.545 ( 4.628 0.000 0.000) 4.628 8.683 ( 6.007 -0.000 0.000) 6.007 8.885 ( 18.998 -0.000 -0.000) 18.998 9.080 ( -13.310 0.000 0.000) 13.310 9.658 ( -9.249 0.000 0.000) 9.249 10.323 ( 0.577 -0.000 -0.000) 0.577 10.347 ( -8.677 0.000 0.000) 8.677 10.605 ( -0.681 0.000 0.000) 0.681 10.643 ( 3.125 -0.000 0.000) 3.125 11.123 ( 0.656 0.000 0.000) 0.656 11.723 ( -5.132 0.000 0.000) 5.132 12.204 ( 13.092 0.000 0.000) 13.092 12.503 ( 3.982 0.000 0.000) 3.982 12.571 ( 8.445 0.000 -0.000) 8.445 13.001 ( 4.639 0.000 0.000) 4.639 13.238 ( -4.004 -0.000 -0.000) 4.004 13.410 ( -3.421 0.000 0.000) 3.421 13.843 ( -2.760 0.000 0.000) 2.760 14.139 ( -3.612 0.000 0.000) 3.612 14.248 ( -1.310 0.000 0.000) 1.310 14.760 ( -4.116 0.000 0.000) 4.116 15.304 ( -0.085 0.000 0.000) 0.085 15.521 ( -1.072 0.000 0.000) 1.072 15.738 ( -5.256 -0.000 0.000) 5.256 16.042 ( -1.344 0.000 0.000) 1.344 16.245 ( -0.514 -0.000 0.000) 0.514 16.847 ( -1.178 0.000 0.000) 1.178 18.516 ( -0.745 0.000 0.000) 0.745 18.745 ( 1.435 0.000 0.000) 1.435 19.309 ( 5.736 0.000 0.000) 5.736 19.400 ( 3.969 -0.000 0.000) 3.969 ======================= Grid point 69 (59/148) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -0.000 17.427 0.668) 17.439 3.318 ( -0.000 29.698 -1.170) 29.721 3.470 ( 0.000 -0.503 0.019) 0.503 3.677 ( -0.000 -7.007 -16.015) 17.481 4.366 ( 0.000 -3.507 -1.874) 3.976 5.546 ( -0.000 0.583 -1.589) 1.693 6.053 ( -0.000 17.376 13.415) 21.952 6.671 ( -0.000 -0.371 -8.260) 8.268 7.475 ( -0.000 2.184 -0.041) 2.185 7.669 ( 0.000 -4.603 3.296) 5.661 7.963 ( 0.000 4.212 5.096) 6.611 8.471 ( -0.000 32.361 7.119) 33.135 8.717 ( 0.000 0.081 6.037) 6.037 8.965 ( 0.000 -24.992 1.334) 25.028 9.334 ( -0.000 -1.086 -11.268) 11.320 9.458 ( 0.000 -7.894 -4.396) 9.036 10.161 ( -0.000 6.367 3.742) 7.386 10.390 ( 0.000 -7.753 -3.541) 8.524 10.620 ( 0.000 -4.436 -0.963) 4.540 10.750 ( -0.000 -1.130 -5.984) 6.090 11.114 ( 0.000 -4.615 2.204) 5.114 11.700 ( -0.000 1.903 -3.821) 4.269 12.181 ( 0.000 -0.917 13.499) 13.530 12.388 ( 0.000 2.102 10.451) 10.660 12.886 ( -0.000 3.953 -13.514) 14.081 12.897 ( 0.000 -1.919 13.958) 14.089 13.087 ( 0.000 -7.149 5.466) 8.999 13.477 ( -0.000 -1.339 -9.768) 9.860 13.960 ( 0.000 9.048 11.153) 14.361 13.990 ( -0.000 11.984 -12.638) 17.417 14.330 ( 0.000 -8.139 -6.595) 10.475 14.750 ( -0.000 -1.208 -2.986) 3.221 15.303 ( -0.000 -0.173 -0.420) 0.454 15.489 ( 0.000 -1.764 1.739) 2.477 15.659 ( -0.000 7.861 3.167) 8.475 15.978 ( 0.000 -6.156 0.313) 6.164 16.448 ( -0.000 7.891 -16.464) 18.258 16.906 ( -0.000 1.042 -7.331) 7.405 18.456 ( 0.000 -0.015 5.227) 5.227 18.749 ( 0.000 -1.778 1.280) 2.191 19.290 ( -0.000 11.380 6.800) 13.256 19.417 ( 0.000 -12.062 3.586) 12.584 ======================= Grid point 70 (60/148) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.000 -0.000 -39.340) 39.340 0.847 ( -0.000 -0.000 -42.978) 42.978 1.268 ( -0.000 -0.000 -64.545) 64.545 3.562 ( -0.000 -0.000 -5.904) 5.904 3.807 ( -0.000 -0.000 -8.736) 8.736 4.723 ( 0.000 0.000 2.191) 2.191 5.943 ( -0.000 -0.000 -0.160) 0.160 6.508 ( -0.000 -0.000 -5.842) 5.842 7.170 ( 0.000 0.000 20.550) 20.550 7.307 ( 0.000 0.000 2.729) 2.729 7.575 ( -0.000 -0.000 -2.362) 2.362 7.988 ( -0.000 -0.000 -10.350) 10.350 8.382 ( -0.000 -0.000 -28.611) 28.611 8.496 ( 0.000 0.000 2.933) 2.933 8.702 ( -0.000 -0.000 -0.626) 0.626 9.879 ( 0.000 0.000 3.177) 3.177 10.990 ( 0.000 0.000 0.897) 0.897 11.336 ( 0.000 0.000 0.898) 0.898 11.583 ( 0.000 0.000 0.203) 0.203 11.599 ( 0.000 0.000 12.558) 12.558 11.617 ( 0.000 0.000 0.936) 0.936 11.694 ( 0.000 0.000 8.187) 8.187 11.697 ( -0.000 -0.000 -6.641) 6.641 11.772 ( -0.000 -0.000 -2.936) 2.936 12.213 ( -0.000 -0.000 -2.749) 2.749 12.358 ( 0.000 0.000 1.126) 1.126 13.499 ( 0.000 0.000 3.546) 3.546 13.724 ( 0.000 0.000 3.547) 3.547 13.773 ( -0.000 -0.000 -5.063) 5.063 14.314 ( -0.000 -0.000 -1.267) 1.267 14.403 ( -0.000 -0.000 -10.581) 10.581 14.813 ( 0.000 0.000 3.931) 3.931 14.941 ( 0.000 0.000 2.563) 2.563 15.008 ( -0.000 -0.000 -6.186) 6.186 15.340 ( 0.000 0.000 1.061) 1.061 15.733 ( -0.000 -0.000 -0.105) 0.105 15.892 ( -0.000 -0.000 -6.714) 6.714 17.220 ( 0.000 0.000 2.802) 2.802 17.935 ( -0.000 -0.000 -1.132) 1.132 17.974 ( -0.000 -0.000 -2.412) 2.412 18.982 ( -0.000 -0.000 -2.529) 2.529 20.832 ( 0.000 0.000 4.352) 4.352 ======================= Grid point 72 (61/148) ======================= q-point: (-0.58 -0.08 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 6.072 0.620 -14.461) 15.696 3.530 ( 3.210 1.101 -13.711) 14.125 3.680 ( 8.396 2.295 -10.447) 13.597 3.929 ( 4.233 22.639 -5.161) 23.603 4.593 ( 24.178 0.066 1.320) 24.214 5.135 ( -5.272 -23.457 -0.038) 24.042 6.341 ( -6.026 6.704 -8.325) 12.270 6.761 ( -8.464 15.771 -4.964) 18.574 7.331 ( -4.190 -17.574 5.985) 19.032 7.670 ( 5.611 0.903 -5.228) 7.722 8.095 ( 0.026 -6.986 0.395) 6.997 8.356 ( 8.895 -13.478 -11.325) 19.724 8.726 ( -2.716 3.009 7.123) 8.195 8.945 ( 0.278 4.394 10.856) 11.715 9.242 ( -1.938 14.157 -1.002) 14.324 9.651 ( 6.873 2.501 0.892) 7.368 10.223 ( 4.103 -8.343 -2.861) 9.728 10.436 ( 2.880 9.122 4.427) 10.540 10.498 ( -2.409 -4.556 7.067) 8.746 10.804 ( 0.457 8.048 -4.081) 9.035 11.045 ( 2.915 -3.407 3.001) 5.395 11.761 ( 1.191 0.472 -3.460) 3.690 12.168 ( -7.394 5.073 5.881) 10.724 12.351 ( 0.063 -1.695 5.275) 5.541 12.622 ( -10.484 -3.831 1.101) 11.216 12.719 ( -2.116 -11.770 2.107) 12.143 13.147 ( 2.075 -3.744 6.927) 8.143 13.445 ( -1.912 -1.011 -9.638) 9.878 14.107 ( -5.529 9.666 9.564) 14.679 14.168 ( 0.987 4.869 -8.132) 9.529 14.458 ( 10.196 7.327 -9.447) 15.713 14.760 ( 3.074 0.089 -5.412) 6.224 15.291 ( -0.514 -1.690 -0.627) 1.875 15.521 ( 3.074 0.370 2.306) 3.860 15.724 ( 2.613 -6.750 8.549) 11.202 15.944 ( 3.339 2.740 -12.395) 13.126 16.565 ( 0.483 4.064 -17.001) 17.487 16.947 ( 0.679 2.453 -7.550) 7.968 18.343 ( -3.063 -10.826 5.980) 12.741 18.682 ( -0.801 -3.625 3.613) 5.180 19.045 ( -2.313 -10.465 4.640) 11.679 19.624 ( -4.119 17.205 5.609) 18.559 ======================= Grid point 73 (62/148) ======================= q-point: (-0.58 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 2.530 -5.027 -21.083) 21.821 3.580 ( 4.494 -11.331 -12.403) 17.391 3.820 ( 2.169 -5.522 -11.553) 12.988 4.222 ( 0.155 1.186 -1.665) 2.050 4.787 ( -2.127 6.450 -4.040) 7.902 5.227 ( 28.805 0.296 -0.674) 28.815 6.201 ( -5.097 -6.848 -5.306) 10.051 6.703 ( -5.297 -7.964 -6.938) 11.816 6.897 ( -7.603 -5.817 4.276) 10.485 7.314 ( -8.027 -19.014 -12.743) 24.256 8.151 ( -2.565 -0.884 -7.734) 8.196 8.493 ( 11.108 10.663 -5.531) 16.361 8.985 ( 15.683 9.484 4.209) 18.805 9.198 ( 8.628 8.509 10.740) 16.192 9.362 ( -4.786 3.275 15.847) 16.875 9.810 ( 3.847 -2.079 -1.710) 4.696 10.192 ( 7.908 -6.443 -1.838) 10.365 10.356 ( -7.571 6.019 5.969) 11.365 10.643 ( 4.496 5.779 0.344) 7.331 11.005 ( 4.650 0.851 8.164) 9.434 11.218 ( 7.469 10.034 -4.774) 13.389 11.703 ( -5.834 -1.674 -1.646) 6.288 12.015 ( -15.096 4.182 -4.360) 16.260 12.299 ( -4.259 -8.312 2.784) 9.746 12.356 ( 0.523 -5.008 1.647) 5.298 12.568 ( -4.706 -0.846 5.656) 7.406 12.884 ( -5.864 -9.446 -0.391) 11.125 13.457 ( 0.006 1.383 -2.025) 2.452 14.121 ( -4.420 5.811 8.954) 11.553 14.323 ( 6.450 -0.927 -5.805) 8.727 14.712 ( 1.911 3.131 3.343) 4.963 14.926 ( 6.189 5.790 -16.751) 18.773 15.141 ( -6.547 -4.204 -5.572) 9.570 15.556 ( 2.019 -2.050 1.137) 3.093 15.698 ( 4.967 -4.071 8.564) 10.705 16.053 ( 2.540 -0.799 -15.946) 16.167 16.669 ( 2.479 3.590 -15.612) 16.210 17.057 ( 3.159 5.505 -6.400) 9.014 17.916 ( -10.041 -14.275 8.989) 19.631 18.462 ( -2.310 -15.279 -0.315) 15.456 19.041 ( 5.961 4.974 9.284) 12.103 19.825 ( -7.303 14.075 4.633) 16.520 ======================= Grid point 74 (63/148) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 23.179 26.405 -0.012) 35.135 2.489 ( 24.885 21.177 -14.118) 35.596 3.532 ( 4.495 7.324 2.194) 8.869 3.738 ( 10.247 31.120 -10.124) 34.292 4.109 ( 14.811 5.526 -13.566) 20.831 5.386 ( 28.116 -0.382 4.660) 28.502 6.226 ( -0.849 -10.246 0.814) 10.313 6.565 ( -0.754 24.621 3.998) 24.955 6.966 ( -1.856 7.570 10.368) 12.971 7.168 ( -11.903 15.141 -1.593) 19.325 7.579 ( -8.133 2.253 -14.329) 16.629 8.104 ( 7.029 -13.030 -6.966) 16.362 8.448 ( 15.061 -4.138 -10.262) 18.689 9.425 ( 29.786 -2.894 3.446) 30.124 9.673 ( 14.320 10.042 -4.611) 18.088 9.905 ( -6.319 3.963 4.312) 8.615 10.734 ( -5.934 -12.698 3.070) 14.349 10.750 ( -9.433 -16.016 8.907) 20.611 10.901 ( -4.838 -8.607 2.044) 10.083 11.211 ( -0.287 -13.213 11.674) 17.633 11.344 ( -5.265 -6.359 2.448) 8.611 11.550 ( -8.056 -0.579 -6.906) 10.627 11.956 ( -0.328 -0.767 4.335) 4.415 12.069 ( 1.950 2.566 -7.893) 8.526 12.374 ( 2.109 8.877 -4.245) 10.063 12.388 ( 1.972 18.054 -4.821) 18.790 12.720 ( -20.659 -3.642 -5.887) 21.788 13.647 ( -2.737 4.602 4.041) 6.708 14.078 ( 7.129 -6.202 -0.069) 9.449 14.217 ( 6.712 -8.592 -2.993) 11.306 14.685 ( -1.583 1.199 6.545) 6.839 14.954 ( -9.230 17.976 0.935) 20.228 15.078 ( 10.432 0.650 3.640) 11.068 15.406 ( 5.134 11.645 -1.773) 12.850 15.640 ( 5.446 0.822 4.326) 7.004 16.011 ( 4.156 0.082 -9.848) 10.689 16.580 ( 2.665 4.273 18.090) 18.778 17.043 ( 2.316 -4.158 2.526) 5.388 18.005 ( -6.813 6.944 -2.024) 9.936 18.484 ( -0.496 13.751 3.514) 14.202 18.981 ( 2.180 -7.986 -7.978) 11.497 19.663 ( -7.543 -12.403 -11.613) 18.590 ======================= Grid point 75 (64/148) ======================= q-point: (-0.08 -0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 10.632 20.928 -2.939) 23.657 3.247 ( 18.213 7.374 -10.668) 22.358 3.684 ( 3.227 5.523 2.193) 6.762 3.972 ( 2.887 -3.266 -4.162) 6.027 4.967 ( 5.143 34.994 1.795) 35.415 5.881 ( 9.773 -9.112 9.391) 16.332 6.136 ( 18.520 -2.102 6.348) 19.690 6.771 ( 0.310 -3.694 13.011) 13.529 7.259 ( -7.718 13.089 -8.512) 17.417 7.435 ( 7.262 33.563 -1.649) 34.379 7.560 ( -5.901 6.963 -15.688) 18.150 7.982 ( 7.753 -6.467 -10.452) 14.532 8.588 ( 7.064 -11.376 -1.969) 13.535 9.397 ( -20.407 -13.970 1.372) 24.768 9.845 ( 19.979 -10.847 9.155) 24.507 10.215 ( 4.491 2.243 -1.968) 5.392 10.318 ( 2.670 -5.065 8.190) 9.993 10.466 ( -7.843 -8.056 3.720) 11.843 10.576 ( 1.499 -5.101 -7.353) 9.074 11.035 ( -7.303 -4.257 3.907) 9.312 11.119 ( -2.330 -1.268 6.720) 7.224 11.358 ( -5.981 -2.884 -2.654) 7.151 11.861 ( 0.144 -3.098 -3.413) 4.612 12.116 ( -9.919 -3.016 -7.008) 12.514 12.403 ( 4.386 2.837 0.079) 5.225 12.571 ( -1.590 6.712 -4.068) 8.008 12.864 ( 1.212 22.444 -5.180) 23.066 13.712 ( -2.512 7.820 4.144) 9.199 13.885 ( -3.998 -14.684 -3.532) 15.623 14.135 ( 5.510 -13.618 -2.559) 14.912 14.815 ( 5.691 7.280 8.738) 12.718 15.093 ( -5.144 9.531 0.619) 10.849 15.345 ( 12.985 -1.990 4.560) 13.905 15.664 ( -4.302 2.341 1.551) 5.138 15.801 ( 4.968 13.003 6.518) 15.370 16.148 ( 11.751 -3.885 -6.667) 14.058 16.675 ( -1.458 6.821 14.360) 15.964 17.018 ( 1.303 -3.468 5.437) 6.579 18.005 ( -7.856 10.135 -6.600) 14.422 18.587 ( -4.324 -10.433 -8.683) 14.245 18.877 ( 0.704 7.280 -4.141) 8.405 19.355 ( -1.362 -10.203 -2.247) 10.536 ======================= Grid point 76 (65/148) ======================= q-point: (-0.58 -0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -2.308 -7.717 -13.446) 15.674 3.140 ( -6.448 -20.670 -12.217) 24.862 3.607 ( -9.256 -2.503 -13.600) 16.640 4.400 ( 3.773 7.740 6.388) 10.722 4.897 ( -1.527 2.879 -0.124) 3.261 5.532 ( 1.980 -1.262 -8.181) 8.512 5.884 ( -1.495 -16.797 -7.478) 18.447 6.423 ( -1.203 -9.077 5.227) 10.544 6.717 ( -8.325 -5.963 -8.786) 13.493 7.163 ( 15.963 4.179 -2.819) 16.740 8.022 ( -5.782 0.402 3.660) 6.855 8.996 ( 7.652 10.838 -11.228) 17.380 9.135 ( -17.831 3.164 22.371) 28.782 9.500 ( 5.567 7.983 8.055) 12.633 9.607 ( 15.268 10.089 -5.578) 19.131 9.808 ( 9.316 -5.560 1.934) 11.020 10.104 ( 9.599 -11.654 -5.796) 16.173 10.647 ( 5.074 13.653 8.122) 16.677 10.881 ( 13.316 0.033 -11.756) 17.763 11.048 ( -0.641 -1.686 12.371) 12.502 11.383 ( -18.318 -0.706 -2.453) 18.495 11.527 ( -2.192 4.662 -9.109) 10.465 11.825 ( -4.769 2.881 -0.698) 5.615 12.076 ( -1.624 -8.171 7.780) 11.399 12.245 ( -1.934 -3.742 1.419) 4.445 12.305 ( -6.332 -4.696 -0.294) 7.889 12.770 ( -5.147 1.581 2.757) 6.049 13.443 ( -1.100 0.169 -2.661) 2.885 14.227 ( 4.153 3.506 4.064) 6.786 14.346 ( 3.602 -5.940 1.316) 7.071 14.656 ( -3.065 -5.028 3.981) 7.108 15.033 ( -2.533 2.156 -7.601) 8.297 15.141 ( -1.605 9.821 -14.879) 17.900 15.500 ( -1.551 -2.598 -1.150) 3.237 15.662 ( -2.220 -6.318 2.494) 7.146 16.036 ( 4.880 -4.406 -5.994) 8.897 16.787 ( -0.304 4.334 -11.187) 12.001 17.298 ( 7.331 6.382 -6.012) 11.429 17.511 ( -9.182 -3.284 8.143) 12.704 18.057 ( -2.845 -18.083 -2.577) 18.486 19.353 ( 11.323 6.003 10.345) 16.470 19.868 ( -9.712 7.376 3.881) 12.798 ======================= Grid point 77 (66/148) ======================= q-point: ( 0.42 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -11.547 0.000 3.299) 12.009 2.757 ( -15.386 -0.000 -9.462) 18.063 3.420 ( -5.474 -0.000 -10.848) 12.151 4.511 ( -4.088 0.000 16.676) 17.170 4.824 ( -7.783 0.000 8.299) 11.377 5.550 ( 4.512 -0.000 -6.388) 7.821 5.591 ( -4.531 -0.000 -20.567) 21.061 6.316 ( 0.674 0.000 6.890) 6.923 6.509 ( -6.338 -0.000 -6.195) 8.863 7.513 ( 2.444 0.000 3.084) 3.935 7.910 ( -6.832 0.000 17.694) 18.967 8.852 ( -7.132 0.000 0.576) 7.156 9.173 ( 1.545 0.000 2.738) 3.144 9.638 ( 1.181 -0.000 -0.037) 1.182 9.829 ( -4.896 0.000 8.873) 10.134 10.021 ( 10.548 -0.000 -9.435) 14.152 10.331 ( 16.775 -0.000 -13.622) 21.609 10.816 ( -6.341 0.000 4.066) 7.532 10.860 ( -14.785 0.000 -1.736) 14.887 11.051 ( 9.861 -0.000 2.928) 10.287 11.193 ( 9.042 -0.000 -2.859) 9.483 11.529 ( -0.191 -0.000 -9.793) 9.795 11.820 ( -1.053 -0.000 -0.534) 1.181 12.057 ( 4.327 0.000 8.533) 9.567 12.164 ( -1.374 0.000 0.416) 1.436 12.194 ( 0.643 0.000 0.382) 0.748 12.617 ( -9.084 0.000 8.300) 12.305 13.467 ( 2.468 -0.000 -5.908) 6.403 14.288 ( -1.756 0.000 5.249) 5.535 14.355 ( 3.527 -0.000 1.003) 3.667 14.539 ( -2.535 0.000 5.081) 5.679 14.972 ( -5.481 -0.000 -4.250) 6.935 15.257 ( -4.778 -0.000 -9.890) 10.983 15.340 ( -3.522 -0.000 -2.519) 4.330 15.520 ( -1.126 0.000 2.176) 2.450 16.116 ( 5.425 -0.000 -2.076) 5.809 16.748 ( -8.614 -0.000 -3.731) 9.387 17.358 ( -2.266 0.000 4.603) 5.131 17.602 ( 4.493 -0.000 -0.364) 4.508 17.749 ( 1.712 -0.000 -10.375) 10.516 19.634 ( 1.198 0.000 12.221) 12.280 19.762 ( 0.247 0.000 1.079) 1.107 ======================= Grid point 78 (67/148) ======================= q-point: (-0.08 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 5.790 -8.730 -7.150) 12.684 3.473 ( -5.790 8.730 -7.150) 12.684 3.891 ( -0.168 -8.496 -1.144) 8.575 3.891 ( 0.168 8.496 -1.144) 8.575 5.580 ( 5.080 -28.005 8.626) 29.741 5.580 ( -5.080 28.005 8.626) 29.741 6.566 ( -3.043 -12.136 15.388) 19.833 6.566 ( 3.043 12.136 15.388) 19.833 7.426 ( 0.278 -10.162 -17.967) 20.644 7.426 ( -0.278 10.162 -17.967) 20.644 8.220 ( -5.968 -17.445 -1.188) 18.476 8.220 ( 5.968 17.445 -1.188) 18.476 8.503 ( -21.776 -24.335 -4.438) 32.956 8.503 ( 21.776 24.335 -4.438) 32.956 10.039 ( -17.884 4.520 10.591) 21.270 10.039 ( 17.884 -4.520 10.591) 21.270 10.329 ( 3.032 -5.921 2.200) 7.006 10.329 ( -3.032 5.921 2.200) 7.006 10.771 ( -16.326 3.783 -7.808) 18.489 10.771 ( 16.326 -3.783 -7.808) 18.489 11.191 ( -5.589 -1.824 5.750) 8.224 11.191 ( 5.589 1.824 5.750) 8.224 11.886 ( 1.957 -6.317 -7.231) 9.799 11.886 ( -1.957 6.317 -7.231) 9.799 12.566 ( -4.267 -0.831 0.025) 4.347 12.566 ( 4.267 0.831 0.025) 4.347 13.380 ( -4.985 -21.585 -5.139) 22.741 13.380 ( 4.985 21.585 -5.139) 22.741 13.920 ( 3.772 -15.370 1.441) 15.892 13.920 ( -3.772 15.370 1.441) 15.892 15.067 ( -5.370 -2.510 4.252) 7.295 15.067 ( 5.370 2.510 4.252) 7.295 15.524 ( -9.459 1.457 3.066) 10.050 15.524 ( 9.459 -1.457 3.066) 10.050 16.131 ( 3.394 -14.023 3.501) 14.846 16.131 ( -3.394 14.023 3.501) 14.846 16.881 ( -2.645 -8.923 9.905) 13.592 16.881 ( 2.645 8.923 9.905) 13.592 18.187 ( 0.416 -17.622 -13.396) 22.139 18.187 ( -0.416 17.622 -13.396) 22.139 19.124 ( -0.268 -12.161 -0.168) 12.165 19.124 ( 0.268 12.161 -0.168) 12.165 ======================= Grid point 82 (68/148) ======================= q-point: ( 0.42 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -19.496 23.493 7.972) 31.553 2.843 ( -21.934 18.404 21.388) 35.739 3.524 ( 2.272 5.085 1.693) 5.821 3.955 ( -7.108 14.810 11.220) 19.893 4.411 ( -13.551 6.531 15.830) 21.837 5.301 ( -24.268 0.262 -3.852) 24.573 6.153 ( 6.420 -5.921 -4.824) 9.977 6.524 ( -2.649 14.849 0.411) 15.089 6.861 ( 0.833 12.270 -0.521) 12.309 7.194 ( 10.977 17.350 0.159) 20.531 7.842 ( 1.441 -1.406 11.974) 12.142 8.225 ( -7.772 -6.932 6.593) 12.325 8.716 ( -8.947 -7.021 14.865) 18.717 9.346 ( -25.998 -3.159 -4.776) 26.621 9.703 ( 1.601 3.144 -0.565) 3.573 9.919 ( -10.091 11.437 5.401) 16.181 10.387 ( 9.766 -17.732 -21.817) 29.762 10.669 ( 3.372 -11.022 -7.772) 13.901 10.921 ( 8.492 -8.900 -2.790) 12.614 10.997 ( -3.434 -9.864 -4.123) 11.229 11.297 ( 1.591 -8.657 -3.405) 9.438 11.663 ( 6.947 3.199 3.948) 8.607 11.870 ( 5.389 1.412 -1.614) 5.800 12.213 ( 0.706 4.584 4.911) 6.755 12.413 ( -1.015 8.568 1.733) 8.800 12.570 ( -2.027 10.716 10.810) 15.356 12.811 ( 17.086 1.095 1.934) 17.230 13.545 ( 1.173 2.966 -5.662) 6.498 14.107 ( -8.845 -6.326 3.257) 11.352 14.307 ( -7.464 -5.479 6.175) 11.129 14.533 ( 4.092 -3.936 -7.990) 9.802 14.948 ( -1.801 5.185 -1.822) 5.783 14.994 ( 1.799 10.300 -2.220) 10.689 15.474 ( -4.890 6.759 5.758) 10.136 15.596 ( -1.287 3.091 -0.136) 3.350 16.174 ( -7.752 -1.764 -3.051) 8.516 16.246 ( -4.966 3.233 -4.528) 7.457 17.001 ( -2.329 -5.456 -1.392) 6.094 18.048 ( 8.147 10.938 1.464) 13.717 18.450 ( 1.575 15.908 -0.411) 15.991 19.098 ( -5.136 -6.339 4.131) 9.144 19.858 ( 10.156 -15.879 6.554) 19.956 ======================= Grid point 86 (69/148) ======================= q-point: ( 0.27 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -0.000 30.614 8.944) 31.894 2.623 ( -0.000 39.649 -0.510) 39.652 3.512 ( 0.000 -1.697 0.244) 1.715 3.947 ( -0.000 2.720 -6.399) 6.953 4.510 ( 0.000 -5.744 -1.656) 5.978 4.560 ( -0.000 60.353 15.509) 62.313 6.016 ( 0.000 -16.158 6.826) 17.541 6.923 ( -0.000 1.400 -16.702) 16.760 7.456 ( 0.000 -2.430 1.746) 2.992 7.473 ( -0.000 18.905 4.649) 19.468 7.756 ( 0.000 4.222 4.898) 6.467 7.831 ( -0.000 18.909 0.613) 18.919 8.668 ( 0.000 -0.604 0.155) 0.624 8.693 ( 0.000 4.268 22.371) 22.775 9.264 ( -0.000 14.109 2.008) 14.251 10.200 ( -0.000 0.867 -9.520) 9.560 10.351 ( 0.000 -33.527 -13.930) 36.306 10.542 ( 0.000 -8.435 3.436) 9.108 10.865 ( 0.000 -10.864 -5.503) 12.178 10.956 ( -0.000 -8.046 -9.336) 12.324 11.252 ( 0.000 -9.080 -1.683) 9.235 11.733 ( -0.000 3.460 -4.824) 5.936 11.927 ( 0.000 -6.737 19.330) 20.471 12.058 ( 0.000 7.742 10.788) 13.279 12.527 ( 0.000 8.792 9.627) 13.038 12.846 ( -0.000 22.916 -8.426) 24.416 13.337 ( 0.000 -14.309 -0.838) 14.333 13.668 ( 0.000 -1.891 8.661) 8.865 13.710 ( -0.000 -3.930 -8.461) 9.329 13.911 ( -0.000 8.889 -2.321) 9.187 14.612 ( 0.000 -9.361 -3.284) 9.921 14.831 ( -0.000 1.239 -3.256) 3.483 15.314 ( -0.000 -0.155 -0.556) 0.577 15.419 ( -0.000 9.250 2.056) 9.476 15.537 ( 0.000 -4.906 0.821) 4.975 15.996 ( 0.000 1.257 2.216) 2.548 16.619 ( -0.000 11.721 -22.556) 25.419 17.023 ( -0.000 2.298 -5.035) 5.534 18.269 ( 0.000 4.511 6.829) 8.185 18.740 ( -0.000 6.338 -1.471) 6.506 18.908 ( 0.000 5.319 6.938) 8.742 19.615 ( 0.000 -15.568 9.425) 18.199 ======================= Grid point 87 (70/148) ======================= q-point: (-0.23 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -0.000 -9.085 -34.100) 35.289 1.747 ( -0.000 -12.059 -37.421) 39.316 2.910 ( -0.000 -38.578 -45.138) 59.377 3.692 ( -0.000 2.734 -8.656) 9.078 4.041 ( -0.000 0.413 -13.768) 13.774 4.632 ( 0.000 2.395 4.610) 5.195 6.129 ( 0.000 -17.417 1.120) 17.453 6.523 ( -0.000 6.755 0.861) 6.810 6.932 ( -0.000 -0.530 -3.907) 3.943 7.404 ( 0.000 -13.573 4.032) 14.159 7.692 ( -0.000 -0.299 -8.020) 8.025 7.985 ( -0.000 12.955 -7.678) 15.060 8.636 ( 0.000 -5.994 1.842) 6.271 8.740 ( 0.000 -9.431 -2.203) 9.685 8.980 ( -0.000 -4.027 -26.714) 27.015 9.866 ( 0.000 -4.934 4.067) 6.394 10.884 ( -0.000 6.189 2.299) 6.602 11.006 ( 0.000 11.620 24.300) 26.935 11.166 ( -0.000 17.493 1.786) 17.584 11.383 ( 0.000 12.667 10.617) 16.528 11.428 ( 0.000 4.964 8.576) 9.909 11.637 ( 0.000 -1.982 1.010) 2.224 11.947 ( 0.000 -11.706 -3.539) 12.230 11.959 ( -0.000 -6.960 -10.249) 12.389 12.349 ( -0.000 -4.089 -5.493) 6.848 12.428 ( -0.000 -3.793 -7.204) 8.142 13.339 ( 0.000 1.317 9.225) 9.318 13.560 ( 0.000 3.515 3.954) 5.291 13.888 ( -0.000 1.083 -7.694) 7.770 14.353 ( -0.000 13.262 -9.781) 16.478 14.768 ( 0.000 -1.206 -0.501) 1.306 14.826 ( 0.000 4.155 4.968) 6.477 15.000 ( 0.000 -27.634 4.620) 28.018 15.305 ( 0.000 -12.773 -8.150) 15.151 15.311 ( 0.000 0.283 1.429) 1.456 15.701 ( -0.000 2.572 0.873) 2.716 16.084 ( -0.000 -2.352 -9.245) 9.540 17.075 ( -0.000 6.200 2.536) 6.699 18.033 ( 0.000 -7.163 -1.277) 7.276 18.193 ( 0.000 -13.900 -1.162) 13.948 19.022 ( -0.000 1.127 -2.266) 2.531 20.520 ( -0.000 16.457 1.430) 16.519 ======================= Grid point 88 (71/148) ======================= q-point: (-0.23 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 9.936 -0.000 -34.823) 36.213 1.730 ( 8.144 -0.000 -35.244) 36.173 2.847 ( 31.876 -0.000 -47.878) 57.518 3.589 ( -8.859 -0.000 -7.182) 11.405 4.189 ( 10.851 -0.000 -15.098) 18.592 4.882 ( 19.084 -0.000 4.502) 19.608 5.931 ( -2.015 -0.000 -0.685) 2.129 6.562 ( -2.889 0.000 1.593) 3.299 6.826 ( -6.093 0.000 -0.943) 6.165 7.001 ( -18.152 0.000 4.251) 18.643 7.833 ( 5.996 -0.000 -7.683) 9.746 8.269 ( 8.969 -0.000 -11.063) 14.242 8.656 ( 18.730 -0.000 3.389) 19.034 8.931 ( 20.399 -0.000 0.723) 20.412 9.009 ( 5.948 -0.000 -25.211) 25.903 9.792 ( -2.091 0.000 3.661) 4.216 10.940 ( -2.986 0.000 10.773) 11.179 11.031 ( -7.666 0.000 16.547) 18.237 11.316 ( -5.686 0.000 4.523) 7.265 11.484 ( 0.214 0.000 8.459) 8.461 11.487 ( -2.823 0.000 11.031) 11.386 11.608 ( 0.397 -0.000 -0.884) 0.969 11.804 ( -5.227 -0.000 -7.556) 9.188 11.934 ( 5.451 -0.000 -3.576) 6.519 12.296 ( -0.489 -0.000 -6.337) 6.356 12.351 ( -0.858 -0.000 -5.380) 5.448 13.194 ( -16.528 0.000 7.962) 18.346 13.663 ( -1.860 0.000 1.292) 2.264 13.963 ( 6.165 -0.000 -5.386) 8.186 14.257 ( -6.321 -0.000 -6.038) 8.741 14.614 ( -3.806 -0.000 -13.334) 13.866 14.723 ( 0.966 -0.000 -0.500) 1.088 14.928 ( 4.778 0.000 2.571) 5.426 15.188 ( 1.221 -0.000 -12.789) 12.847 15.491 ( 5.583 -0.000 0.470) 5.602 15.882 ( 14.571 0.000 11.874) 18.796 16.112 ( 4.954 -0.000 -9.897) 11.068 17.169 ( 1.244 0.000 2.760) 3.027 17.954 ( -1.429 0.000 0.102) 1.432 17.981 ( -3.395 0.000 -1.034) 3.549 19.086 ( 4.999 -0.000 -2.644) 5.656 20.550 ( -13.169 0.000 0.975) 13.205 ======================= Grid point 89 (72/148) ======================= q-point: ( 0.27 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 14.264 24.862 0.507) 28.668 3.386 ( 1.108 26.230 -1.071) 26.275 3.561 ( 6.382 7.582 -2.769) 10.290 3.986 ( -1.694 3.032 -11.395) 11.912 4.657 ( 23.761 -4.355 -2.102) 24.248 5.529 ( -1.553 -10.145 1.026) 10.314 5.762 ( 0.391 35.246 10.454) 36.766 6.853 ( -4.992 -2.189 -16.216) 17.108 7.406 ( -5.153 -5.478 7.785) 10.824 7.627 ( 7.474 6.918 1.511) 10.296 8.010 ( 12.122 0.430 6.236) 13.639 8.257 ( -11.080 21.212 1.708) 23.992 8.575 ( -13.293 12.994 14.239) 23.415 8.815 ( 13.198 -3.856 -1.532) 13.835 9.501 ( -0.590 -13.335 -11.233) 17.445 9.791 ( 7.746 -14.161 -5.866) 17.174 10.174 ( 2.183 2.241 -1.022) 3.292 10.375 ( -3.325 -6.440 4.021) 8.288 10.631 ( 1.421 -12.591 1.410) 12.749 10.884 ( 0.225 -0.835 -9.438) 9.477 11.098 ( 3.587 -6.015 0.488) 7.020 11.773 ( -3.098 0.967 3.676) 4.903 11.904 ( -2.211 5.816 5.538) 8.329 12.176 ( 0.724 5.764 6.031) 8.373 12.661 ( 0.954 1.695 10.111) 10.296 12.752 ( -17.476 -9.106 -0.776) 19.721 13.239 ( 2.059 3.570 -8.716) 9.641 13.638 ( -1.245 3.415 -0.434) 3.661 13.763 ( -0.471 -3.005 3.330) 4.510 14.095 ( -0.734 9.559 -0.058) 9.587 14.567 ( 11.136 -4.095 -4.378) 12.647 14.888 ( 3.249 2.398 -7.136) 8.199 15.338 ( 0.288 -0.693 -1.786) 1.937 15.461 ( 3.594 -0.067 3.475) 5.000 15.639 ( 5.094 1.401 3.544) 6.362 16.037 ( 2.317 2.822 -2.680) 4.529 16.797 ( 0.050 6.194 -17.592) 18.651 17.078 ( -1.144 4.121 -9.376) 10.305 18.314 ( -0.805 0.799 8.244) 8.322 18.635 ( -5.475 -7.667 6.760) 11.595 19.150 ( -2.066 10.577 2.454) 11.053 19.274 ( -3.299 -8.016 5.516) 10.275 ======================= Grid point 90 (73/148) ======================= q-point: ( 0.27 -0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 2.271 6.040 -12.860) 14.388 3.671 ( 4.801 7.918 1.746) 9.423 3.998 ( -2.068 6.046 -2.658) 6.921 4.095 ( 1.343 14.623 -1.079) 14.724 4.955 ( -2.568 -21.628 -2.173) 21.888 5.281 ( 35.275 -3.333 -1.646) 35.470 6.404 ( -4.431 15.328 -9.727) 18.687 6.698 ( -7.329 3.579 -7.275) 10.929 7.075 ( -4.020 -17.107 10.551) 20.498 7.810 ( -6.293 -9.319 -7.082) 13.288 8.169 ( 9.352 11.696 -0.981) 15.007 8.322 ( -7.365 11.376 16.150) 21.083 8.816 ( 1.145 8.293 1.416) 8.490 8.844 ( 4.316 -7.270 -7.435) 11.258 9.202 ( 0.590 -3.746 3.426) 5.111 9.807 ( 12.261 -2.282 0.883) 12.503 10.221 ( 0.847 -3.445 -0.907) 3.662 10.396 ( 1.251 0.276 5.218) 5.373 10.492 ( 3.955 0.446 1.295) 4.186 10.945 ( 6.468 1.833 -7.048) 9.740 11.185 ( 8.060 0.147 0.086) 8.062 11.703 ( -9.143 4.080 0.244) 10.015 11.876 ( -13.921 8.862 3.292) 16.827 12.284 ( -10.983 -1.465 2.995) 11.478 12.381 ( 4.040 0.969 -0.662) 4.207 12.599 ( 0.451 -7.702 6.313) 9.969 13.134 ( -2.973 -14.957 -1.671) 15.341 13.549 ( -2.028 -3.449 -5.277) 6.622 13.765 ( -5.507 10.783 9.466) 15.370 14.325 ( 1.114 12.338 -3.144) 12.781 14.714 ( 9.584 -7.525 -0.800) 12.211 15.090 ( 6.637 6.434 -10.949) 14.329 15.283 ( -3.093 -2.435 -1.599) 4.249 15.574 ( 6.218 -2.688 1.696) 6.983 15.654 ( 3.646 -5.459 4.966) 8.231 16.247 ( 6.311 6.145 -8.136) 11.991 16.890 ( -1.209 3.777 -15.397) 15.899 17.142 ( -1.560 5.735 -10.818) 12.343 18.058 ( -9.929 -16.687 7.803) 20.926 18.491 ( -0.659 4.127 13.692) 14.316 18.924 ( -1.350 -11.477 2.646) 11.855 19.461 ( -3.634 15.361 2.104) 15.925 ======================= Grid point 92 (74/148) ======================= q-point: (-0.23 -0.10 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 17.240 18.914 -2.572) 25.721 3.237 ( 16.673 27.339 -15.954) 35.776 3.497 ( 0.054 5.893 3.063) 6.642 4.107 ( 6.947 0.704 -9.247) 11.588 4.647 ( 8.153 -0.017 -7.691) 11.208 5.653 ( 8.510 7.910 8.292) 14.274 6.050 ( -2.910 -2.183 8.653) 9.386 6.627 ( 6.360 20.950 -2.524) 22.039 6.917 ( -0.925 16.874 -3.573) 17.273 7.061 ( 4.268 -0.003 2.549) 4.971 7.822 ( 2.157 2.307 -17.312) 17.598 8.408 ( 9.771 -13.655 -4.612) 17.413 8.903 ( 6.812 -9.303 -12.245) 16.819 9.488 ( -11.094 -2.842 4.476) 12.296 9.860 ( 13.111 -5.508 3.662) 14.685 10.130 ( -10.089 -5.495 19.720) 22.822 10.205 ( 11.517 6.267 -1.789) 13.233 10.632 ( -2.255 -15.950 7.185) 17.638 10.771 ( 1.331 -1.539 -1.633) 2.609 11.080 ( 2.920 -7.484 -0.146) 8.035 11.145 ( -12.550 -5.801 -0.238) 13.827 11.517 ( -5.251 -6.057 -3.025) 8.568 11.766 ( -6.183 2.474 7.349) 9.917 12.222 ( 1.043 5.418 -5.074) 7.496 12.415 ( -1.467 12.041 -0.318) 12.134 12.522 ( -9.317 1.990 -3.643) 10.200 12.630 ( 3.628 10.652 -10.563) 15.434 13.509 ( -2.038 2.899 3.916) 5.282 14.220 ( 1.142 -8.873 -3.818) 9.727 14.459 ( 4.965 -10.035 -6.649) 13.022 14.498 ( 3.195 4.684 8.105) 9.891 14.862 ( -2.941 11.774 -1.651) 12.247 15.133 ( 7.240 4.668 11.481) 14.353 15.538 ( -1.171 2.637 2.143) 3.594 15.620 ( 3.808 7.076 -6.052) 10.060 16.275 ( -0.189 1.544 15.949) 16.024 16.386 ( 10.507 -2.731 -8.862) 14.014 17.061 ( 3.201 -7.055 1.511) 7.893 17.858 ( -9.485 11.460 -0.936) 14.905 18.418 ( -1.332 17.150 1.077) 17.236 19.220 ( 6.132 -11.216 -6.633) 14.401 19.662 ( -8.333 -12.729 -4.967) 16.004 ======================= Grid point 93 (75/148) ======================= q-point: ( 0.27 -0.10 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -7.334 -3.390 -15.471) 17.454 3.708 ( -5.910 -12.557 -4.850) 14.701 3.888 ( -12.147 -8.762 0.215) 14.979 4.075 ( -1.231 5.390 10.452) 11.824 4.781 ( -2.914 4.410 -2.470) 5.834 5.817 ( 15.336 -6.308 -11.505) 20.183 6.327 ( 3.546 -10.680 -8.258) 13.958 6.582 ( -3.361 -19.074 11.445) 22.497 6.760 ( 1.998 4.873 -1.581) 5.499 7.482 ( -6.870 -7.820 -18.448) 21.182 7.951 ( -22.147 -4.309 4.251) 22.959 8.482 ( -8.230 3.403 29.478) 30.794 8.914 ( 9.215 19.238 -7.696) 22.677 9.186 ( 4.222 13.352 3.886) 14.533 9.543 ( 23.113 3.656 -3.330) 23.636 10.053 ( 7.251 -9.086 -6.151) 13.151 10.263 ( 9.086 9.892 0.845) 13.458 10.343 ( 4.823 -4.294 -0.928) 6.524 10.705 ( 2.665 6.338 9.246) 11.522 11.174 ( 7.734 3.654 -6.607) 10.808 11.285 ( -2.869 -0.309 4.378) 5.244 11.595 ( -8.810 8.504 -7.973) 14.612 11.770 ( -12.048 6.964 -3.799) 14.425 12.068 ( -3.155 -4.166 8.259) 9.774 12.362 ( 1.487 -9.520 2.174) 9.878 12.460 ( -5.067 -6.034 -2.661) 8.317 12.679 ( -7.324 -9.972 7.270) 14.350 13.502 ( 0.256 -1.047 -2.375) 2.608 13.970 ( 3.767 10.969 5.391) 12.789 14.523 ( 1.614 0.361 -3.904) 4.240 14.649 ( 0.422 -7.014 2.620) 7.499 15.087 ( -8.711 -0.248 -4.370) 9.748 15.353 ( 7.040 1.932 -10.981) 13.186 15.554 ( 0.315 -5.653 1.690) 5.909 15.650 ( 2.186 -1.295 3.003) 3.933 16.376 ( 2.919 -7.396 -11.124) 13.673 16.851 ( -9.237 5.009 -6.962) 12.605 17.252 ( -3.174 7.229 -2.139) 8.180 17.591 ( -0.765 -11.214 -0.073) 11.241 18.447 ( -0.158 -12.346 -2.622) 12.622 18.896 ( 5.535 7.510 17.947) 20.227 19.634 ( -5.443 10.920 1.052) 12.247 ======================= Grid point 94 (76/148) ======================= q-point: ( 0.27 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -16.808 -22.986 2.291) 28.568 3.056 ( -24.573 -7.449 -10.989) 27.930 3.688 ( -7.801 0.418 -13.234) 15.367 4.101 ( -7.973 4.659 15.878) 18.368 4.652 ( -11.545 -2.877 10.458) 15.841 5.781 ( 3.368 -6.667 -12.660) 14.699 6.179 ( -0.536 -10.721 -20.043) 22.737 6.253 ( 2.548 -11.408 9.847) 15.284 6.690 ( -10.903 -3.686 -7.874) 13.945 7.263 ( -7.515 -0.964 18.671) 20.150 7.662 ( -8.420 6.234 1.438) 10.575 8.508 ( 4.525 6.444 20.216) 21.695 9.233 ( -12.186 9.827 -9.824) 18.482 9.497 ( 3.235 9.188 -0.603) 9.759 9.892 ( 2.788 -9.243 -1.710) 9.805 10.132 ( 18.529 3.613 -7.569) 20.338 10.517 ( 5.184 4.070 4.236) 7.834 10.625 ( 15.396 1.102 -2.030) 15.568 10.902 ( -14.619 2.246 1.162) 14.836 10.951 ( 2.875 1.251 4.873) 5.794 11.360 ( -1.267 3.149 -11.747) 12.227 11.655 ( 2.093 3.026 -6.169) 7.183 11.799 ( 7.015 3.239 -0.128) 7.728 11.951 ( -1.217 -6.371 3.013) 7.152 12.130 ( -2.036 -3.179 4.936) 6.214 12.281 ( 1.192 -6.572 1.317) 6.808 12.454 ( -9.500 -0.970 8.244) 12.615 13.536 ( 1.755 2.666 -3.708) 4.892 14.258 ( 4.641 6.301 3.036) 8.394 14.347 ( -0.427 -13.338 1.199) 13.399 14.505 ( -4.677 -3.964 2.685) 6.693 14.991 ( -9.865 7.033 -3.663) 12.657 15.330 ( -2.956 -4.446 -4.300) 6.855 15.549 ( 2.912 0.474 -4.819) 5.650 15.554 ( -8.439 -5.108 -2.800) 10.254 16.171 ( 2.849 -9.060 2.807) 9.904 16.780 ( -11.893 6.954 -5.293) 14.759 17.245 ( -2.808 1.670 4.622) 5.660 17.605 ( 7.211 -0.852 -5.734) 9.253 18.182 ( 1.351 -11.744 -12.524) 17.222 19.219 ( 5.321 8.396 20.131) 22.452 19.686 ( -3.491 5.069 1.004) 6.236 ======================= Grid point 95 (77/148) ======================= q-point: (-0.23 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( -1.057 17.780 -3.535) 18.159 3.670 ( 2.897 7.474 3.378) 8.698 3.886 ( 14.170 -4.058 -13.356) 19.891 4.139 ( 1.935 -5.882 -4.094) 7.423 4.808 ( -5.091 22.098 10.650) 25.053 5.828 ( 4.807 -12.391 8.034) 15.530 6.018 ( -2.481 11.366 11.578) 16.413 6.710 ( 0.169 -17.762 3.237) 18.055 7.293 ( -2.945 24.997 -6.316) 25.950 7.500 ( 1.778 25.157 1.017) 25.240 8.015 ( 7.264 7.963 -14.893) 18.384 8.466 ( 14.293 -6.103 -1.326) 15.598 8.653 ( -0.249 -17.141 -11.721) 20.766 9.041 ( -12.723 -17.478 -2.608) 21.776 9.750 ( -17.021 -0.035 12.878) 21.344 9.888 ( 7.671 -3.525 10.479) 13.457 10.283 ( -2.126 -4.590 1.892) 5.401 10.457 ( 1.154 -9.124 0.356) 9.203 10.804 ( -9.923 2.305 -3.009) 10.622 10.998 ( 8.653 -4.258 -4.671) 10.715 11.086 ( 9.651 -1.297 3.960) 10.512 11.227 ( -1.536 -9.396 1.075) 9.581 11.780 ( -6.094 11.501 -0.724) 13.036 12.238 ( -0.126 -6.736 -9.162) 11.373 12.494 ( 2.382 4.383 -0.273) 4.996 12.543 ( -1.623 4.287 -0.376) 4.600 13.059 ( 2.738 22.190 -6.694) 23.339 13.607 ( -2.070 10.230 2.579) 10.751 13.904 ( -3.066 -16.964 -7.957) 18.986 14.200 ( 1.543 -16.342 4.112) 16.921 14.832 ( 7.015 9.218 2.610) 11.874 14.980 ( -2.632 3.885 3.420) 5.807 15.315 ( -4.507 6.011 11.308) 13.576 15.510 ( 2.634 -1.736 2.660) 4.126 15.857 ( 1.931 8.581 -3.792) 9.578 16.202 ( -1.946 -5.442 12.850) 14.090 16.606 ( 5.898 4.626 -0.274) 7.501 16.927 ( -0.139 -9.329 4.366) 10.301 18.028 ( -2.082 18.736 -7.259) 20.201 18.678 ( -0.491 3.876 -4.137) 5.690 18.999 ( 0.097 -7.899 -6.373) 10.150 19.361 ( 0.266 -10.981 -0.330) 10.989 ======================= Grid point 96 (78/148) ======================= q-point: (-0.23 -0.10 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( -12.811 7.379 -7.118) 16.409 3.698 ( -4.643 -21.834 -6.037) 23.124 3.825 ( -5.554 -1.392 -0.657) 5.763 3.888 ( -1.980 -0.860 2.729) 3.479 5.319 ( 0.569 16.106 5.305) 16.967 5.581 ( 10.998 -19.042 7.498) 23.233 5.973 ( -26.006 3.828 5.252) 26.806 6.451 ( 2.713 -0.442 8.912) 9.326 7.543 ( -4.469 4.976 -8.315) 10.671 7.835 ( 2.548 1.810 -2.423) 3.954 8.155 ( -0.708 -11.448 -9.062) 14.618 8.300 ( -7.356 -23.553 -9.434) 26.417 8.412 ( 5.513 4.822 -2.860) 7.863 8.981 ( 8.342 17.885 5.970) 20.618 9.534 ( -8.986 6.771 -1.709) 11.380 10.010 ( -6.874 -2.316 12.268) 14.252 10.159 ( 6.134 6.024 7.507) 11.414 10.396 ( 2.482 -3.377 -0.441) 4.214 10.624 ( -8.428 4.146 -6.904) 11.657 10.906 ( -8.050 -2.454 4.291) 9.447 11.131 ( 5.977 -3.381 -0.438) 6.881 11.391 ( 17.194 -2.558 0.074) 17.383 11.889 ( -4.574 6.309 -5.891) 9.769 12.202 ( 7.648 -1.096 -5.751) 9.631 12.445 ( -4.431 -1.152 -0.420) 4.598 12.705 ( 6.765 0.153 -1.511) 6.934 13.371 ( -6.799 -8.648 -8.076) 13.647 13.621 ( 2.765 14.389 -1.593) 14.738 13.746 ( -2.762 -2.593 1.188) 3.970 14.025 ( 6.211 -2.227 -0.218) 6.602 14.757 ( -10.681 -5.424 10.419) 15.876 15.115 ( 0.131 4.093 2.357) 4.725 15.248 ( -4.961 0.036 2.338) 5.484 15.580 ( 3.845 -0.922 6.935) 7.983 15.921 ( -5.651 -1.648 -1.717) 6.132 16.107 ( -0.198 1.331 4.691) 4.880 16.556 ( -7.579 -4.828 8.845) 12.609 16.883 ( 3.744 -0.163 2.807) 4.682 18.437 ( 1.444 2.242 -8.780) 9.176 18.498 ( 5.902 0.486 -8.611) 10.451 19.108 ( 0.173 -2.707 -0.500) 2.758 19.182 ( 3.510 1.738 -1.072) 4.061 ======================= Grid point 97 (79/148) ======================= q-point: ( 0.27 -0.10 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -24.342 0.000 10.214) 26.398 2.380 ( -32.643 0.000 -5.383) 33.083 3.550 ( -5.060 -0.000 -13.057) 14.003 3.782 ( -29.580 0.000 21.758) 36.720 4.346 ( -11.852 0.000 16.327) 20.175 5.808 ( -18.120 -0.000 -18.104) 25.615 5.817 ( 4.017 -0.000 -5.101) 6.493 6.294 ( 12.599 0.000 4.662) 13.434 6.577 ( 1.716 -0.000 -9.139) 9.298 7.024 ( -11.482 0.000 18.452) 21.733 7.609 ( -3.987 0.000 4.840) 6.271 8.780 ( 5.200 0.000 12.217) 13.278 8.943 ( -20.864 0.000 -2.628) 21.029 9.526 ( -13.931 0.000 1.406) 14.002 9.721 ( 2.593 -0.000 -3.296) 4.194 10.158 ( -34.778 0.000 -3.054) 34.912 10.609 ( 21.536 -0.000 -10.104) 23.789 10.749 ( 12.806 0.000 5.361) 13.883 11.112 ( 19.396 -0.000 -3.797) 19.764 11.295 ( -6.212 -0.000 -4.999) 7.973 11.366 ( 18.473 -0.000 -2.372) 18.625 11.708 ( -1.302 -0.000 -5.947) 6.088 11.778 ( -3.129 0.000 -0.168) 3.133 11.978 ( -0.018 0.000 5.920) 5.920 12.194 ( -10.547 0.000 10.299) 14.742 12.226 ( 2.290 -0.000 0.665) 2.385 12.334 ( 19.063 -0.000 -1.148) 19.098 13.635 ( 2.581 -0.000 -4.454) 5.148 14.102 ( -5.375 0.000 5.001) 7.342 14.370 ( -1.838 0.000 0.019) 1.838 14.374 ( -2.358 0.000 5.621) 6.095 14.856 ( -8.661 0.000 -1.181) 8.741 15.225 ( -5.010 0.000 2.763) 5.721 15.263 ( -8.713 -0.000 -5.084) 10.088 15.597 ( 1.565 -0.000 -7.024) 7.196 16.145 ( -1.583 0.000 8.461) 8.607 16.610 ( -8.791 -0.000 -7.941) 11.846 17.233 ( -0.943 0.000 2.160) 2.357 17.740 ( 6.512 -0.000 0.304) 6.519 18.092 ( 1.345 -0.000 -18.219) 18.269 19.291 ( -5.986 0.000 11.556) 13.014 19.793 ( 8.012 0.000 10.079) 12.876 ======================= Grid point 99 (80/148) ======================= q-point: (-0.23 -0.10 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -18.406 -25.748 -2.525) 31.751 3.102 ( -18.467 -10.859 -15.133) 26.229 3.637 ( -2.343 -5.547 -1.991) 6.342 3.947 ( -5.523 9.323 -1.646) 10.960 4.932 ( -0.511 -36.187 -5.262) 36.571 5.295 ( -30.742 0.477 2.769) 30.870 5.961 ( 5.101 13.049 -0.246) 14.013 6.565 ( 1.675 3.508 6.738) 7.779 7.405 ( 1.204 -24.968 -1.440) 25.038 7.541 ( 5.662 -21.147 -2.597) 22.045 7.766 ( -5.877 1.970 -8.956) 10.892 8.236 ( 7.244 -7.329 -9.618) 14.096 8.560 ( -6.074 9.061 -12.171) 16.344 9.247 ( -19.872 7.959 5.954) 22.219 9.641 ( 5.256 11.318 3.339) 12.918 9.986 ( -1.592 15.357 16.865) 22.864 10.155 ( -10.287 -10.167 -7.218) 16.164 10.476 ( 6.396 7.876 6.649) 12.131 10.735 ( 5.460 8.198 5.140) 11.111 10.845 ( -4.040 6.779 0.588) 7.913 11.171 ( 0.457 3.328 2.519) 4.199 11.714 ( 12.558 -2.319 -5.722) 13.994 11.883 ( 2.940 0.306 2.328) 3.763 12.264 ( -0.624 -1.201 -8.691) 8.795 12.508 ( 5.524 1.071 0.502) 5.649 12.731 ( 4.080 -7.451 -4.980) 9.847 13.007 ( 3.127 -15.822 -7.870) 17.946 13.614 ( -0.012 -2.768 8.266) 8.717 13.935 ( -4.547 10.507 -3.010) 11.838 14.159 ( -4.881 7.260 -8.357) 12.098 14.499 ( -1.379 -0.892 13.339) 13.440 14.975 ( -11.072 -0.137 4.970) 12.137 15.209 ( 5.648 -7.250 -0.312) 9.196 15.552 ( -3.952 -1.495 2.643) 4.984 15.711 ( -4.142 -7.428 -3.554) 9.218 16.119 ( -3.548 3.478 -3.581) 6.124 16.344 ( -3.667 -5.977 13.664) 15.358 16.923 ( -1.010 2.209 2.534) 3.510 18.284 ( 6.029 -11.901 -4.959) 14.232 18.710 ( 0.668 -6.044 -0.709) 6.122 18.988 ( 0.756 0.584 -5.164) 5.252 19.535 ( 7.734 15.734 -4.622) 18.131 ======================= Grid point 102 (81/148) ======================= q-point: ( 0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.000 33.203 0.000) 33.203 1.781 ( -0.000 43.901 0.000) 43.901 3.016 ( -0.000 71.510 0.000) 71.510 3.516 ( -0.000 0.194 0.000) 0.194 3.887 ( -0.000 6.008 0.000) 6.008 4.634 ( 0.000 -4.934 -0.000) 4.934 6.200 ( 0.000 -9.775 -0.000) 9.775 6.754 ( -0.000 31.921 0.000) 31.921 7.275 ( 0.000 -1.267 -0.000) 1.267 7.543 ( 0.000 -8.392 -0.000) 8.392 7.596 ( -0.000 5.343 0.000) 5.343 7.634 ( -0.000 3.212 0.000) 3.212 8.274 ( -0.000 9.638 0.000) 9.638 8.685 ( 0.000 -0.436 -0.000) 0.436 8.932 ( -0.000 14.526 0.000) 14.526 10.178 ( -0.000 9.479 0.000) 9.479 10.720 ( 0.000 -11.190 -0.000) 11.190 10.981 ( 0.000 -18.072 -0.000) 18.072 11.141 ( 0.000 -13.931 -0.000) 13.931 11.395 ( 0.000 -9.611 -0.000) 9.611 11.467 ( 0.000 -8.232 -0.000) 8.232 11.703 ( -0.000 5.403 0.000) 5.403 11.801 ( -0.000 3.684 0.000) 3.684 11.884 ( 0.000 -16.184 -0.000) 16.184 12.235 ( -0.000 10.310 0.000) 10.310 12.397 ( -0.000 25.755 0.000) 25.755 13.583 ( 0.000 -7.613 -0.000) 7.613 13.660 ( 0.000 -3.327 -0.000) 3.327 13.750 ( -0.000 5.335 0.000) 5.335 13.977 ( 0.000 -10.929 -0.000) 10.929 14.805 ( -0.000 3.368 0.000) 3.368 14.812 ( 0.000 -7.296 -0.000) 7.296 15.217 ( -0.000 9.505 0.000) 9.505 15.330 ( 0.000 -0.732 -0.000) 0.732 15.629 ( 0.000 -4.587 -0.000) 4.587 15.911 ( -0.000 3.363 0.000) 3.363 16.849 ( -0.000 4.200 0.000) 4.200 16.866 ( -0.000 7.839 0.000) 7.839 18.110 ( -0.000 4.759 0.000) 4.759 18.522 ( -0.000 11.043 0.000) 11.043 18.880 ( 0.000 -3.753 -0.000) 3.753 19.704 ( 0.000 -8.165 -0.000) 8.165 ======================= Grid point 103 (82/148) ======================= q-point: (-0.37 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -0.000 -8.282 -26.634) 27.892 2.699 ( -0.000 -13.928 -32.696) 35.539 3.735 ( -0.000 8.385 -6.234) 10.449 4.011 ( -0.000 -2.205 -9.287) 9.545 4.457 ( 0.000 3.960 6.079) 7.255 4.496 ( -0.000 -20.808 -23.035) 31.041 6.333 ( -0.000 2.029 -1.958) 2.819 6.650 ( 0.000 -20.946 -8.086) 22.453 7.140 ( -0.000 -1.778 -6.650) 6.883 7.689 ( 0.000 -17.451 -3.207) 17.743 7.703 ( -0.000 9.319 -3.159) 9.840 8.039 ( -0.000 1.611 -9.713) 9.845 8.643 ( 0.000 -4.133 1.890) 4.544 9.020 ( 0.000 -9.849 0.136) 9.850 9.457 ( -0.000 -2.005 -10.935) 11.117 9.932 ( 0.000 -6.081 -1.380) 6.236 10.086 ( 0.000 23.495 25.777) 34.878 10.686 ( -0.000 7.825 3.936) 8.759 10.872 ( 0.000 11.700 13.519) 17.879 10.884 ( -0.000 11.908 -1.847) 12.050 11.164 ( 0.000 2.299 9.492) 9.766 11.675 ( -0.000 0.021 -2.845) 2.845 12.225 ( 0.000 -12.941 1.014) 12.980 12.394 ( -0.000 -10.442 -13.693) 17.221 12.410 ( 0.000 -0.776 3.676) 3.757 12.630 ( 0.000 -3.951 -0.646) 4.004 13.223 ( 0.000 -4.821 4.980) 6.932 13.429 ( 0.000 2.196 4.752) 5.235 14.024 ( -0.000 0.763 -8.372) 8.406 14.282 ( -0.000 18.482 -17.947) 25.762 14.582 ( 0.000 8.498 7.154) 11.108 14.727 ( 0.000 -0.043 3.325) 3.325 15.285 ( 0.000 -0.276 0.986) 1.024 15.454 ( 0.000 -18.310 -2.301) 18.454 15.602 ( -0.000 3.547 2.539) 4.362 15.686 ( -0.000 -4.773 -10.785) 11.794 16.310 ( -0.000 -0.150 -11.721) 11.722 16.929 ( -0.000 4.514 0.073) 4.515 18.230 ( 0.000 -11.321 1.646) 11.440 18.507 ( 0.000 -13.792 -1.100) 13.836 19.019 ( 0.000 -0.571 1.307) 1.426 20.130 ( -0.000 16.621 4.972) 17.348 ======================= Grid point 104 (83/148) ======================= q-point: (-0.37 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 2.981 -3.458 -32.707) 33.024 2.603 ( 11.007 -16.457 -28.409) 34.627 3.757 ( -8.828 2.286 -10.466) 13.882 3.805 ( 9.957 -10.463 -29.560) 32.900 4.496 ( 9.397 -0.224 -17.820) 20.147 4.767 ( 21.338 2.053 4.966) 22.004 6.085 ( -3.063 -13.579 0.766) 13.941 6.488 ( -4.208 4.303 -6.533) 8.883 6.999 ( -10.115 -0.685 -10.918) 14.899 7.101 ( -16.088 -15.431 2.091) 22.390 8.002 ( 7.094 0.180 -5.876) 9.213 8.302 ( 12.923 10.922 -10.141) 19.727 8.715 ( 11.706 -3.743 0.926) 12.325 8.926 ( 15.130 -2.475 -2.348) 15.510 9.503 ( 7.935 -6.193 -12.901) 16.363 9.805 ( -2.192 -3.941 -1.128) 4.648 10.360 ( -7.514 10.035 30.046) 32.557 10.761 ( -3.694 5.224 8.770) 10.856 11.067 ( -4.730 9.656 14.465) 18.023 11.140 ( -0.459 7.638 3.818) 8.551 11.283 ( 5.581 7.574 6.173) 11.253 11.663 ( 0.462 -2.266 -1.607) 2.816 12.033 ( -2.178 -6.557 -5.107) 8.592 12.111 ( -4.411 -7.114 -9.747) 12.848 12.341 ( -1.351 -2.883 2.475) 4.033 12.625 ( 2.778 -2.386 -10.090) 10.734 13.015 ( -11.977 -2.794 10.218) 15.989 13.526 ( -0.542 7.285 -0.283) 7.311 14.081 ( 3.950 0.115 -5.732) 6.962 14.436 ( -9.864 -2.680 1.483) 10.329 14.701 ( 2.893 7.310 -8.660) 11.697 14.777 ( 1.621 -2.425 5.504) 6.230 15.020 ( -3.392 -2.140 -13.250) 13.844 15.451 ( 8.721 -2.153 0.609) 9.003 15.586 ( -0.987 -2.900 -13.829) 14.164 15.732 ( 6.307 -0.711 2.175) 6.710 16.330 ( 4.198 -0.714 -12.185) 12.908 17.055 ( 2.207 5.490 0.832) 5.976 17.980 ( -4.968 -6.514 2.562) 8.583 18.192 ( -2.607 -14.352 -1.074) 14.627 19.083 ( 5.026 1.722 1.753) 5.594 20.339 ( -6.818 10.459 6.376) 14.019 ======================= Grid point 105 (84/148) ======================= q-point: ( 0.13 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 23.330 28.424 0.000) 36.772 2.709 ( 6.068 38.357 -0.000) 38.834 3.542 ( 2.825 0.270 0.000) 2.838 3.982 ( -2.650 5.426 -0.000) 6.039 4.481 ( 8.485 62.682 -0.000) 63.254 4.780 ( 23.371 -4.831 0.000) 23.865 5.930 ( -0.221 -17.184 0.000) 17.185 7.150 ( -8.534 10.509 -0.000) 13.538 7.265 ( 0.918 -0.186 0.000) 0.937 7.488 ( 4.223 -1.109 0.000) 4.367 7.730 ( -7.902 29.487 -0.000) 30.528 7.946 ( 15.798 0.052 0.000) 15.798 8.158 ( -20.677 7.536 -0.000) 22.007 8.883 ( 18.971 -1.920 0.000) 19.068 9.452 ( 15.686 10.478 0.000) 18.863 10.240 ( -8.908 3.500 -0.000) 9.571 10.454 ( -1.690 -26.179 0.000) 26.234 10.507 ( 1.232 -16.232 0.000) 16.279 10.864 ( -2.583 -11.634 -0.000) 11.917 11.161 ( 1.106 -11.711 0.000) 11.763 11.250 ( -1.344 -7.351 0.000) 7.473 11.667 ( 1.003 -6.576 0.000) 6.652 11.752 ( -8.203 7.208 -0.000) 10.920 12.000 ( 8.966 5.166 0.000) 10.348 12.441 ( 0.857 8.457 -0.000) 8.500 12.913 ( -2.597 26.572 -0.000) 26.698 12.984 ( -22.972 -10.061 -0.000) 25.079 13.768 ( 9.072 -13.862 0.000) 16.567 13.879 ( -1.268 8.748 -0.000) 8.840 13.891 ( 3.641 -3.097 0.000) 4.780 14.717 ( 6.262 -5.089 0.000) 8.069 14.897 ( 3.821 2.362 0.000) 4.492 15.350 ( -4.794 3.778 -0.000) 6.104 15.417 ( 8.991 -1.138 0.000) 9.063 15.559 ( 3.333 4.541 0.000) 5.633 15.980 ( 0.299 3.062 -0.000) 3.077 16.925 ( -0.975 4.570 -0.000) 4.673 17.041 ( 0.828 6.123 -0.000) 6.178 18.159 ( -2.737 3.386 -0.000) 4.353 18.744 ( -3.862 -8.202 -0.000) 9.066 18.805 ( 0.311 15.762 -0.000) 15.765 19.442 ( -4.793 -10.765 -0.000) 11.784 ======================= Grid point 106 (85/148) ======================= q-point: ( 0.13 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 14.418 20.888 0.000) 25.381 3.380 ( 0.088 16.665 -0.000) 16.665 3.743 ( 6.435 13.360 0.000) 14.830 3.971 ( -5.944 2.505 -0.000) 6.451 5.342 ( 35.171 -1.170 0.000) 35.191 5.510 ( 1.245 -25.363 0.000) 25.394 5.772 ( 8.132 44.240 -0.000) 44.981 7.027 ( -5.447 -3.433 -0.000) 6.439 7.120 ( -0.863 -12.631 0.000) 12.660 7.768 ( -5.735 14.928 -0.000) 15.992 7.921 ( -5.911 10.225 -0.000) 11.810 8.134 ( 2.368 4.327 0.000) 4.933 8.267 ( -0.009 19.573 -0.000) 19.573 9.229 ( 22.610 -8.916 0.000) 24.305 9.474 ( -15.837 -17.620 -0.000) 23.691 10.002 ( 9.641 -16.019 0.000) 18.697 10.198 ( 1.186 8.368 -0.000) 8.451 10.314 ( 3.533 -7.278 0.000) 8.090 10.596 ( -2.728 -7.464 -0.000) 7.947 11.066 ( 1.994 -2.143 0.000) 2.927 11.217 ( 5.796 -2.208 0.000) 6.202 11.584 ( -2.357 -0.367 -0.000) 2.386 11.650 ( -16.323 8.201 -0.000) 18.267 12.319 ( 9.949 4.860 0.000) 11.072 12.350 ( -17.117 -4.620 -0.000) 17.730 12.593 ( 0.488 -0.311 0.000) 0.579 13.307 ( -4.492 20.506 -0.000) 20.992 13.553 ( -0.368 -18.667 0.000) 18.671 13.750 ( -0.961 -9.673 0.000) 9.721 14.072 ( -1.099 13.252 -0.000) 13.297 14.866 ( 10.846 -2.535 0.000) 11.138 15.084 ( 8.560 3.178 0.000) 9.131 15.299 ( -4.009 1.355 -0.000) 4.232 15.618 ( 13.111 -3.005 0.000) 13.451 15.701 ( 2.930 -2.444 0.000) 3.816 16.140 ( 4.463 10.063 0.000) 11.009 17.008 ( -0.424 5.538 -0.000) 5.554 17.138 ( -2.265 4.772 -0.000) 5.282 18.166 ( -3.523 5.236 -0.000) 6.311 18.331 ( -12.063 -15.510 -0.000) 19.649 19.126 ( -0.611 15.756 -0.000) 15.768 19.150 ( -1.860 -11.333 0.000) 11.485 ======================= Grid point 107 (86/148) ======================= q-point: (-0.37 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 8.129 -0.000 -29.331) 30.437 2.446 ( 4.716 -0.000 -22.801) 23.283 3.548 ( -10.454 -0.000 -10.412) 14.754 4.138 ( 22.483 -0.000 -21.443) 31.070 4.664 ( 8.415 -0.000 -11.022) 13.868 5.235 ( 17.137 -0.000 -0.273) 17.139 5.843 ( -8.232 0.000 1.032) 8.297 6.496 ( -2.751 -0.000 -8.162) 8.613 6.574 ( -12.516 0.000 3.817) 13.085 6.904 ( 5.501 -0.000 -3.655) 6.605 8.024 ( -1.196 -0.000 -6.696) 6.802 8.730 ( 10.326 -0.000 -12.200) 15.983 9.097 ( 27.171 -0.000 0.076) 27.171 9.396 ( 26.048 -0.000 3.606) 26.297 9.534 ( 4.526 -0.000 -16.999) 17.591 9.697 ( -4.477 0.000 0.075) 4.478 10.209 ( -14.522 0.000 29.886) 33.228 10.715 ( -4.149 0.000 8.250) 9.235 11.106 ( -6.316 0.000 14.586) 15.894 11.196 ( 2.035 0.000 5.841) 6.186 11.469 ( 2.842 -0.000 -0.581) 2.901 11.604 ( -8.244 -0.000 -4.480) 9.382 11.794 ( -4.733 -0.000 -4.476) 6.514 12.065 ( 2.414 -0.000 -0.657) 2.501 12.273 ( -2.291 0.000 1.012) 2.505 12.647 ( 2.595 -0.000 -14.583) 14.812 12.658 ( -18.963 0.000 6.708) 20.114 13.553 ( -5.476 0.000 2.569) 6.049 14.169 ( 5.246 -0.000 -2.082) 5.644 14.257 ( 1.933 0.000 1.028) 2.189 14.687 ( -3.099 -0.000 -1.789) 3.578 14.847 ( 2.730 -0.000 -6.883) 7.404 15.091 ( 2.081 -0.000 -11.011) 11.206 15.456 ( -2.674 -0.000 -7.669) 8.122 15.534 ( -0.412 -0.000 -5.787) 5.802 15.901 ( 9.066 0.000 9.178) 12.901 16.465 ( 8.265 -0.000 -11.884) 14.475 17.197 ( 4.814 -0.000 0.560) 4.847 17.854 ( -6.649 0.000 3.451) 7.491 17.865 ( -6.741 0.000 -0.402) 6.753 19.268 ( 10.109 -0.000 0.901) 10.149 20.259 ( -10.749 0.000 4.250) 11.559 ======================= Grid point 109 (87/148) ======================= q-point: ( 0.13 -0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( -4.177 4.098 -0.000) 5.852 3.563 ( -4.958 10.367 -0.000) 11.491 3.853 ( -5.317 -0.390 -0.000) 5.332 4.043 ( -2.847 4.408 -0.000) 5.248 5.032 ( 2.889 -23.292 0.000) 23.470 6.040 ( 27.879 0.189 0.000) 27.880 6.408 ( -4.140 15.433 -0.000) 15.979 6.760 ( -3.415 -18.483 0.000) 18.796 6.900 ( 8.161 -11.106 0.000) 13.782 7.628 ( -19.416 12.300 -0.000) 22.985 8.010 ( -0.310 -6.946 0.000) 6.953 8.318 ( -11.398 -8.703 -0.000) 14.341 8.638 ( -8.345 3.840 -0.000) 9.186 8.765 ( 3.611 24.310 -0.000) 24.577 9.589 ( 25.344 -2.975 0.000) 25.518 10.179 ( 21.635 -3.782 0.000) 21.963 10.283 ( -0.920 0.008 -0.000) 0.920 10.351 ( 2.894 -0.381 0.000) 2.919 10.530 ( -1.266 2.697 -0.000) 2.980 11.032 ( -10.286 5.080 -0.000) 11.472 11.352 ( 10.417 -0.556 0.000) 10.432 11.491 ( -12.871 8.546 -0.000) 15.450 11.592 ( -4.067 8.530 -0.000) 9.450 12.035 ( -8.203 -1.790 -0.000) 8.396 12.504 ( 1.576 0.338 0.000) 1.612 12.529 ( 0.716 -7.411 0.000) 7.446 13.011 ( -8.260 -23.155 -0.000) 24.584 13.598 ( 2.356 -7.090 0.000) 7.471 13.637 ( 2.354 16.298 -0.000) 16.467 14.329 ( -2.824 14.802 -0.000) 15.069 14.908 ( 6.522 -11.576 0.000) 13.287 15.181 ( -6.800 -3.327 -0.000) 7.570 15.358 ( 8.677 5.181 0.000) 10.106 15.655 ( 0.152 -2.117 0.000) 2.123 15.722 ( 7.917 -10.388 0.000) 13.061 16.467 ( 5.379 9.358 0.000) 10.794 17.028 ( -13.386 -5.371 -0.000) 14.423 17.114 ( -0.024 4.244 -0.000) 4.245 17.817 ( -4.937 -10.465 -0.000) 11.571 18.305 ( 1.475 12.291 -0.000) 12.379 18.879 ( -0.848 -13.346 0.000) 13.373 19.387 ( -2.260 12.760 -0.000) 12.958 ======================= Grid point 110 (88/148) ======================= q-point: ( 0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -17.241 -17.366 -0.000) 24.471 3.279 ( -22.899 -4.789 -0.000) 23.395 3.812 ( -4.992 3.168 -0.000) 5.912 3.889 ( -2.474 -5.978 -0.000) 6.469 4.676 ( -9.905 -10.793 -0.000) 14.650 6.254 ( 3.623 -7.197 0.000) 8.058 6.296 ( -4.746 -17.394 -0.000) 18.030 6.533 ( 8.284 -1.030 0.000) 8.347 6.936 ( 10.147 -8.926 0.000) 13.514 7.213 ( -33.490 -21.386 -0.000) 39.736 7.530 ( -14.627 9.281 -0.000) 17.323 8.071 ( 4.693 9.388 0.000) 10.496 9.040 ( -6.552 17.159 -0.000) 18.367 9.309 ( 11.275 11.999 0.000) 16.465 10.103 ( 22.692 -0.289 0.000) 22.694 10.215 ( -3.311 -6.819 -0.000) 7.581 10.319 ( 2.935 2.569 0.000) 3.900 10.635 ( 2.760 11.816 0.000) 12.135 10.678 ( 21.349 4.070 0.000) 21.733 10.840 ( -20.238 5.278 -0.000) 20.915 11.423 ( -8.081 5.326 -0.000) 9.678 11.626 ( 3.471 9.781 0.000) 10.379 11.771 ( 7.502 7.937 0.000) 10.921 11.875 ( -1.069 -4.792 -0.000) 4.910 12.336 ( -2.558 -14.313 0.000) 14.540 12.423 ( -4.226 -3.933 -0.000) 5.773 12.438 ( -2.513 -15.261 0.000) 15.467 13.558 ( 2.489 -2.042 0.000) 3.219 14.028 ( 5.716 12.270 0.000) 13.536 14.475 ( -5.832 6.640 -0.000) 8.838 14.698 ( 2.943 -18.382 0.000) 18.616 14.944 ( -8.485 -0.998 -0.000) 8.543 15.527 ( -0.932 -8.196 0.000) 8.248 15.615 ( -5.393 0.284 -0.000) 5.401 15.617 ( 7.485 -2.643 0.000) 7.938 16.426 ( -15.058 -15.418 -0.000) 21.552 16.678 ( -2.208 7.133 -0.000) 7.467 17.158 ( -1.160 2.099 -0.000) 2.398 17.738 ( 4.808 -2.958 0.000) 5.645 18.597 ( -0.483 -12.272 0.000) 12.281 18.685 ( 5.990 14.933 0.000) 16.090 19.539 ( -3.233 8.374 -0.000) 8.977 ======================= Grid point 111 (89/148) ======================= q-point: (-0.37 -0.12 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -0.000 15.737 0.000) 15.737 3.463 ( -0.000 7.215 0.000) 7.215 3.617 ( -0.000 39.038 0.000) 39.038 4.288 ( -0.000 -12.513 0.000) 12.513 4.752 ( -0.000 -10.913 0.000) 10.913 5.609 ( -0.000 12.244 0.000) 12.244 5.927 ( -0.000 -0.195 0.000) 0.195 6.810 ( 0.000 21.647 -0.000) 21.647 6.839 ( -0.000 23.041 0.000) 23.041 7.150 ( -0.000 -12.495 0.000) 12.495 8.154 ( -0.000 1.282 0.000) 1.282 8.562 ( -0.000 -8.333 -0.000) 8.333 9.201 ( -0.000 -3.194 0.000) 3.194 9.277 ( -0.000 -20.500 0.000) 20.500 9.587 ( -0.000 -1.201 0.000) 1.201 9.911 ( -0.000 -6.029 -0.000) 6.029 10.325 ( -0.000 -0.078 0.000) 0.078 10.651 ( 0.000 -8.885 0.000) 8.885 10.839 ( -0.000 -3.934 0.000) 3.934 11.039 ( -0.000 -0.719 0.000) 0.719 11.180 ( 0.000 -5.759 -0.000) 5.759 11.485 ( -0.000 12.806 0.000) 12.806 11.499 ( -0.000 -15.022 -0.000) 15.022 12.300 ( -0.000 5.807 -0.000) 5.807 12.404 ( -0.000 8.660 0.000) 8.660 12.435 ( -0.000 10.392 -0.000) 10.392 12.804 ( -0.000 6.527 -0.000) 6.527 13.441 ( -0.000 4.059 0.000) 4.059 14.261 ( -0.000 -7.244 -0.000) 7.244 14.405 ( -0.000 -9.238 0.000) 9.238 14.744 ( -0.000 -0.482 -0.000) 0.482 14.798 ( -0.000 7.944 -0.000) 7.944 15.026 ( -0.000 5.928 0.000) 5.928 15.485 ( 0.000 1.473 0.000) 1.473 15.822 ( -0.000 8.219 -0.000) 8.219 16.034 ( -0.000 -1.270 0.000) 1.270 16.623 ( -0.000 -2.430 0.000) 2.430 17.081 ( -0.000 -10.348 0.000) 10.348 17.741 ( -0.000 15.538 0.000) 15.538 18.393 ( -0.000 18.827 0.000) 18.827 19.406 ( -0.000 -15.983 0.000) 15.983 19.568 ( 0.000 -9.032 0.000) 9.032 ======================= Grid point 113 (90/148) ======================= q-point: ( 0.63 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -11.800 20.520 -0.460) 23.675 3.621 ( -3.120 6.358 3.398) 7.855 3.877 ( -11.843 -0.287 14.008) 18.346 4.139 ( -4.758 -11.628 2.449) 12.800 4.801 ( 9.462 22.414 -5.162) 24.871 5.752 ( -12.876 6.189 2.076) 14.436 5.843 ( 5.317 -9.676 1.065) 11.091 6.565 ( -7.535 -14.827 -0.322) 16.634 7.372 ( 1.186 22.351 -2.970) 22.579 7.526 ( 3.323 28.675 2.926) 29.014 8.098 ( -8.359 5.605 5.261) 11.356 8.329 ( -2.069 -5.865 8.356) 10.417 8.849 ( -0.741 -17.378 8.243) 19.248 9.136 ( 1.295 -17.577 -13.689) 22.317 9.657 ( 2.308 0.721 -17.893) 18.055 9.798 ( -0.052 -3.155 10.644) 11.102 10.195 ( -3.648 -10.134 -5.471) 12.080 10.366 ( -0.929 3.753 1.577) 4.176 10.717 ( -9.020 -2.350 -2.624) 9.683 10.969 ( -3.024 -9.530 2.881) 10.405 11.127 ( 3.548 0.865 2.951) 4.695 11.459 ( 15.999 -6.570 3.011) 17.555 11.795 ( 1.053 10.918 -4.896) 12.012 12.366 ( 2.548 -2.579 0.954) 3.749 12.438 ( -2.242 -0.991 -0.879) 2.604 12.641 ( 5.904 6.723 -0.481) 8.961 13.137 ( 0.192 22.378 3.137) 22.598 13.521 ( -4.126 4.347 -3.171) 6.780 14.076 ( 0.031 -18.994 0.842) 19.012 14.129 ( 4.771 -6.949 -3.127) 8.990 14.626 ( -12.521 0.160 8.124) 14.927 15.033 ( -1.345 5.409 -5.799) 8.043 15.123 ( 0.710 8.494 1.250) 8.615 15.527 ( 2.813 -1.761 1.553) 3.664 15.909 ( -3.296 4.632 8.977) 10.625 16.022 ( 0.054 1.030 -9.839) 9.893 16.492 ( -8.803 -1.759 5.588) 10.575 16.919 ( 1.036 -5.341 0.251) 5.446 18.177 ( 6.441 18.473 -1.629) 19.632 18.713 ( 0.094 8.541 -0.233) 8.544 19.052 ( -1.176 -8.728 0.165) 8.808 19.427 ( 5.558 -13.816 -0.164) 14.893 ======================= Grid point 114 (91/148) ======================= q-point: ( 0.13 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -23.717 -29.555 -0.000) 37.894 2.552 ( -32.896 -8.383 -0.000) 33.947 3.582 ( -24.525 -6.202 -0.000) 25.298 3.736 ( -6.578 1.569 -0.000) 6.763 4.170 ( -16.376 -4.988 -0.000) 17.119 5.920 ( -10.684 -4.921 -0.000) 11.763 6.223 ( -21.513 -16.622 -0.000) 27.186 6.271 ( 10.527 -1.896 0.000) 10.697 6.712 ( 7.680 -3.310 0.000) 8.363 6.847 ( 5.353 -7.788 0.000) 9.450 7.471 ( -9.296 8.363 -0.000) 12.504 8.451 ( 2.218 15.570 -0.000) 15.727 8.909 ( -23.764 6.627 -0.000) 24.671 9.599 ( 0.475 -4.574 0.000) 4.598 9.823 ( -4.202 -6.664 -0.000) 7.878 10.194 ( -33.704 0.667 -0.000) 33.711 10.619 ( 10.408 2.877 0.000) 10.798 10.688 ( 23.097 4.081 0.000) 23.455 11.135 ( 16.180 1.634 0.000) 16.262 11.160 ( 7.471 15.666 0.000) 17.356 11.411 ( 4.812 1.931 0.000) 5.185 11.784 ( -6.181 10.463 -0.000) 12.153 11.808 ( 3.090 -4.300 0.000) 5.295 11.935 ( -3.401 -13.720 -0.000) 14.135 12.118 ( 0.504 -2.159 0.000) 2.217 12.270 ( -0.489 -3.603 0.000) 3.636 12.327 ( 14.062 1.106 0.000) 14.106 13.613 ( 1.960 2.897 0.000) 3.498 14.267 ( -1.520 4.729 -0.000) 4.967 14.322 ( 0.263 -21.765 0.000) 21.767 14.388 ( -3.768 -0.642 -0.000) 3.822 14.827 ( -7.783 3.301 -0.000) 8.454 15.277 ( -4.134 -7.794 -0.000) 8.822 15.355 ( -12.563 -3.119 -0.000) 12.945 15.717 ( 4.273 -1.446 0.000) 4.511 16.034 ( -9.029 -1.257 -0.000) 9.116 16.689 ( -2.381 0.198 -0.000) 2.389 17.184 ( -0.371 2.395 -0.000) 2.423 17.783 ( 5.933 -3.915 0.000) 7.108 18.409 ( -0.086 -5.522 0.000) 5.523 19.017 ( 1.158 8.070 -0.000) 8.153 19.630 ( 0.302 5.106 -0.000) 5.115 ======================= Grid point 115 (92/148) ======================= q-point: ( 0.13 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -30.932 0.000 -0.000) 30.932 1.685 ( -39.289 0.000 -0.000) 39.289 2.630 ( -53.860 0.000 -0.000) 53.860 3.622 ( -5.427 0.000 -0.000) 5.427 3.896 ( -8.424 0.000 -0.000) 8.424 5.453 ( -26.516 0.000 -0.000) 26.516 5.889 ( 1.434 -0.000 0.000) 1.434 6.541 ( -7.097 0.000 -0.000) 7.097 6.643 ( 21.352 -0.000 0.000) 21.352 7.103 ( 18.756 -0.000 0.000) 18.756 7.450 ( -2.272 0.000 -0.000) 2.272 8.509 ( -20.243 0.000 -0.000) 20.243 8.580 ( -9.595 0.000 -0.000) 9.595 9.182 ( -19.076 0.000 -0.000) 19.076 9.462 ( -32.572 0.000 -0.000) 32.572 9.870 ( 4.240 -0.000 0.000) 4.240 10.950 ( 14.000 -0.000 0.000) 14.000 11.186 ( 19.187 -0.000 0.000) 19.187 11.211 ( -5.533 0.000 -0.000) 5.533 11.413 ( 9.756 -0.000 0.000) 9.756 11.693 ( -2.723 0.000 -0.000) 2.723 11.782 ( -0.194 0.000 -0.000) 0.194 11.840 ( -10.163 0.000 -0.000) 10.163 11.855 ( 16.857 -0.000 0.000) 16.857 11.861 ( -1.754 0.000 -0.000) 1.754 12.275 ( 2.799 -0.000 0.000) 2.799 12.815 ( 23.950 -0.000 0.000) 23.950 13.729 ( 1.977 -0.000 0.000) 1.977 13.927 ( -5.692 0.000 -0.000) 5.692 14.252 ( -9.151 0.000 -0.000) 9.151 14.273 ( -0.670 0.000 -0.000) 0.670 14.740 ( -3.063 0.000 -0.000) 3.063 15.090 ( -5.398 0.000 -0.000) 5.398 15.132 ( -7.526 0.000 -0.000) 7.526 15.764 ( 2.642 -0.000 0.000) 2.642 15.791 ( -14.833 0.000 -0.000) 14.833 16.676 ( 2.009 -0.000 0.000) 2.009 17.226 ( 0.890 -0.000 0.000) 0.890 17.847 ( 4.616 -0.000 0.000) 4.616 18.354 ( -0.486 0.000 -0.000) 0.486 19.049 ( -3.642 0.000 -0.000) 3.642 19.743 ( 3.581 -0.000 0.000) 3.581 ======================= Grid point 116 (93/148) ======================= q-point: (-0.37 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -17.890 -0.000 -0.000) 17.890 3.534 ( -9.525 -0.000 -0.000) 9.525 3.678 ( -8.199 0.000 0.000) 8.199 3.743 ( -7.995 -0.000 0.000) 7.995 5.253 ( -34.480 0.000 0.000) 34.480 5.398 ( 6.136 -0.000 0.000) 6.136 5.822 ( 14.779 0.000 0.000) 14.779 6.428 ( 4.072 0.000 0.000) 4.072 7.592 ( 0.398 -0.000 0.000) 0.398 7.693 ( -8.473 0.000 -0.000) 8.473 8.429 ( 7.635 0.000 -0.000) 7.635 8.486 ( -1.737 -0.000 0.000) 1.737 8.532 ( 12.041 -0.000 -0.000) 12.041 8.662 ( -9.315 0.000 0.000) 9.315 9.409 ( -18.162 0.000 0.000) 18.162 9.772 ( -1.587 0.000 0.000) 1.587 10.247 ( 8.031 0.000 0.000) 8.031 10.441 ( 0.189 0.000 0.000) 0.189 10.603 ( -0.794 0.000 -0.000) 0.794 10.701 ( -7.706 -0.000 0.000) 7.706 11.138 ( -2.185 0.000 0.000) 2.185 11.815 ( 22.036 0.000 0.000) 22.036 11.840 ( -5.371 -0.000 -0.000) 5.371 12.417 ( 6.823 0.000 0.000) 6.823 12.431 ( 1.938 0.000 -0.000) 1.938 12.874 ( 7.243 0.000 -0.000) 7.243 13.356 ( -7.426 -0.000 -0.000) 7.426 13.485 ( -3.602 0.000 0.000) 3.602 13.827 ( 3.683 -0.000 0.000) 3.683 14.204 ( 5.655 0.000 -0.000) 5.655 14.325 ( -13.348 0.000 0.000) 13.348 14.918 ( -10.231 0.000 0.000) 10.231 15.282 ( 2.644 0.000 0.000) 2.644 15.533 ( 0.308 0.000 0.000) 0.308 15.869 ( -6.199 0.000 0.000) 6.199 16.059 ( 0.073 0.000 0.000) 0.073 16.292 ( -5.134 0.000 0.000) 5.134 16.876 ( -1.100 0.000 0.000) 1.100 18.530 ( -0.317 0.000 0.000) 0.317 18.688 ( 4.309 0.000 0.000) 4.309 19.181 ( 5.399 0.000 0.000) 5.399 19.296 ( 5.525 -0.000 0.000) 5.525 ======================= Grid point 121 (94/148) ======================= q-point: (-0.52 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -0.000 3.976 -15.513) 16.015 3.515 ( -0.000 -6.970 -28.259) 29.106 3.569 ( -0.000 10.839 1.344) 10.922 3.890 ( -0.000 23.403 -6.717) 24.348 4.327 ( 0.000 -0.309 1.278) 1.315 5.190 ( 0.000 -23.531 -0.922) 23.550 6.411 ( -0.000 6.580 -7.813) 10.215 6.858 ( -0.000 18.881 -3.687) 19.238 7.399 ( 0.000 -21.551 2.824) 21.735 7.577 ( -0.000 7.639 -2.140) 7.933 8.051 ( -0.000 4.505 2.607) 5.205 8.323 ( 0.000 -28.434 -14.953) 32.126 8.675 ( 0.000 -4.313 6.567) 7.857 9.034 ( 0.000 17.594 21.904) 28.095 9.255 ( -0.000 -5.666 -12.713) 13.918 9.565 ( -0.000 14.064 0.873) 14.091 10.151 ( 0.000 -7.789 -1.701) 7.972 10.410 ( -0.000 9.535 3.197) 10.057 10.529 ( 0.000 -3.332 10.222) 10.751 10.806 ( -0.000 6.048 -8.087) 10.098 11.019 ( 0.000 -4.604 7.650) 8.928 11.741 ( -0.000 1.910 -5.854) 6.157 12.237 ( 0.000 5.904 8.768) 10.570 12.352 ( 0.000 -5.459 6.457) 8.455 12.666 ( 0.000 -11.954 9.365) 15.185 12.847 ( -0.000 -6.709 -14.157) 15.666 13.101 ( 0.000 1.002 12.926) 12.965 13.463 ( -0.000 -0.681 -10.157) 10.180 14.152 ( -0.000 4.996 1.551) 5.231 14.252 ( -0.000 4.353 0.889) 4.443 14.268 ( -0.000 15.216 -12.127) 19.457 14.730 ( -0.000 -0.513 -4.574) 4.603 15.290 ( 0.000 -1.075 -0.106) 1.080 15.487 ( 0.000 1.471 3.392) 3.697 15.696 ( 0.000 -8.156 7.731) 11.238 15.908 ( -0.000 3.266 -12.438) 12.860 16.560 ( -0.000 3.611 -17.147) 17.523 16.940 ( -0.000 2.074 -8.311) 8.566 18.371 ( 0.000 -8.510 5.463) 10.112 18.692 ( 0.000 -4.384 2.770) 5.186 19.074 ( 0.000 -12.769 4.839) 13.656 19.670 ( -0.000 17.528 6.518) 18.701 ======================= Grid point 122 (95/148) ======================= q-point: (-0.52 -0.15 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 2.691 -3.035 -24.471) 24.805 3.420 ( 8.171 -12.773 -24.619) 28.914 3.819 ( -1.290 9.054 -6.178) 11.037 4.201 ( 1.333 3.083 -6.563) 7.373 4.621 ( 23.533 2.408 2.940) 23.838 4.839 ( -0.879 -2.248 -10.487) 10.761 6.329 ( -5.794 -7.719 -3.738) 10.350 6.825 ( -5.302 -15.869 -10.658) 19.838 7.103 ( -10.020 5.323 -2.419) 11.602 7.521 ( -12.184 -14.961 -9.670) 21.582 8.051 ( 10.460 3.821 -8.617) 14.081 8.286 ( 10.301 3.069 -1.273) 10.823 8.702 ( 10.303 -2.040 3.433) 11.050 9.060 ( 1.062 4.189 0.715) 4.381 9.380 ( 4.097 2.489 18.571) 19.179 9.797 ( -1.492 6.658 3.320) 7.588 10.047 ( 5.155 -8.922 -3.953) 11.037 10.503 ( -5.692 5.427 9.877) 12.626 10.600 ( 0.666 7.264 8.014) 10.837 10.953 ( 0.295 2.639 9.817) 10.170 11.055 ( 7.267 8.557 -5.360) 12.440 11.756 ( -0.463 -1.427 -3.961) 4.236 12.199 ( -2.611 -3.763 1.360) 4.778 12.316 ( -0.064 -0.720 1.327) 1.511 12.501 ( -10.039 -9.842 -7.898) 16.125 12.606 ( -0.502 3.552 5.782) 6.805 13.020 ( -5.395 -6.851 4.525) 9.824 13.455 ( 0.158 1.396 -4.235) 4.462 14.208 ( 3.480 0.124 -7.354) 8.137 14.275 ( -9.388 6.475 8.330) 14.123 14.643 ( 4.815 6.723 2.109) 8.534 14.812 ( 4.535 6.362 -15.425) 17.290 15.248 ( -3.105 -2.005 -3.342) 4.983 15.486 ( 3.474 -5.217 2.327) 6.686 15.592 ( 4.519 -2.247 5.837) 7.716 16.013 ( 1.391 2.167 -16.144) 16.348 16.622 ( 1.760 1.749 -18.156) 18.325 17.005 ( 1.722 3.400 -6.896) 7.880 18.085 ( -5.722 -13.397 7.789) 16.519 18.505 ( -1.665 -13.180 -0.209) 13.286 18.950 ( 2.732 -0.173 8.899) 9.311 19.952 ( -4.604 14.816 6.463) 16.807 ======================= Grid point 125 (96/148) ======================= q-point: (-0.52 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 0.356 -3.836 -23.794) 24.104 3.179 ( 2.431 -19.142 -16.937) 25.674 3.801 ( -9.170 0.819 -13.897) 16.670 4.303 ( 4.481 6.115 -5.227) 9.208 4.891 ( 1.995 0.454 -7.974) 8.233 5.255 ( 25.424 2.208 -2.060) 25.603 5.958 ( -6.060 -13.445 1.170) 14.794 6.504 ( -7.213 -4.683 0.722) 8.630 6.892 ( -9.393 -5.316 -9.379) 14.299 7.030 ( -4.297 -4.920 -14.092) 15.532 8.124 ( -2.954 -1.074 -4.853) 5.782 8.781 ( 13.658 15.305 -9.220) 22.490 9.089 ( 22.909 2.361 1.262) 23.065 9.344 ( 16.335 1.761 -1.401) 16.490 9.424 ( -7.171 5.795 32.330) 33.619 9.747 ( -3.486 -3.254 -0.806) 4.837 9.959 ( 5.025 -12.526 -1.005) 13.533 10.584 ( 2.439 9.060 4.283) 10.314 10.728 ( 0.094 4.897 5.178) 7.128 11.027 ( 1.542 1.543 9.682) 9.925 11.426 ( 7.072 8.872 -2.779) 11.681 11.674 ( -4.790 -0.871 -3.394) 5.935 11.998 ( -11.250 -5.578 -7.163) 14.457 12.138 ( -4.191 -6.620 1.178) 7.924 12.271 ( -1.211 -1.963 1.311) 2.652 12.535 ( -13.090 -2.205 6.395) 14.734 12.843 ( -2.341 2.774 -5.180) 6.325 13.486 ( -2.418 1.732 -0.238) 2.983 14.197 ( -2.043 1.206 4.806) 5.360 14.256 ( 4.120 -3.615 -1.288) 5.631 14.690 ( -0.120 -4.321 4.819) 6.474 15.011 ( 3.137 1.759 -12.565) 13.069 15.225 ( -5.082 11.873 -14.690) 19.560 15.516 ( 0.845 -1.877 0.643) 2.156 15.637 ( 4.282 -2.285 6.247) 7.911 15.979 ( 0.429 -6.276 -12.164) 13.694 16.735 ( 4.365 2.973 -18.224) 18.974 17.161 ( 5.603 3.727 -4.306) 7.989 17.716 ( -9.530 -3.964 8.685) 13.489 18.137 ( -4.427 -16.019 -1.767) 16.713 19.132 ( 9.692 3.462 10.097) 14.418 20.056 ( -8.212 8.403 5.889) 13.143 ======================= Grid point 126 (97/148) ======================= q-point: (-0.52 -0.15 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -6.103 -0.000 -6.598) 8.988 2.978 ( -5.858 -0.000 -22.659) 23.404 3.583 ( -9.935 -0.000 -14.833) 17.853 4.491 ( 4.174 0.000 9.145) 10.052 4.908 ( -0.001 -0.000 -1.582) 1.582 5.592 ( -8.536 0.000 -0.404) 8.546 5.617 ( 4.914 -0.000 -16.205) 16.934 6.338 ( -2.921 0.000 7.178) 7.750 6.657 ( -7.316 -0.000 -13.025) 14.939 7.214 ( 19.362 -0.000 0.082) 19.363 8.029 ( -5.365 0.000 3.104) 6.198 9.086 ( 1.050 0.000 10.173) 10.227 9.194 ( -16.427 0.000 -2.382) 16.598 9.651 ( -2.220 0.000 8.173) 8.470 9.665 ( 22.703 0.000 7.982) 24.066 9.844 ( 22.986 -0.000 -7.435) 24.158 9.859 ( 5.641 -0.000 -5.537) 7.904 10.831 ( 3.435 0.000 7.210) 7.987 10.862 ( 10.068 -0.000 -12.944) 16.398 11.006 ( 0.007 0.000 15.215) 15.215 11.377 ( -22.389 0.000 -5.094) 22.962 11.581 ( -2.019 -0.000 -9.300) 9.516 11.821 ( 0.387 -0.000 -1.691) 1.735 12.003 ( -0.258 0.000 9.810) 9.814 12.208 ( -1.722 0.000 0.829) 1.911 12.272 ( -8.771 0.000 1.553) 8.907 12.791 ( -7.025 0.000 0.090) 7.026 13.448 ( -0.929 -0.000 -3.226) 3.357 14.254 ( 4.413 0.000 1.842) 4.782 14.282 ( 2.905 0.000 3.605) 4.630 14.598 ( -2.795 0.000 3.952) 4.840 15.041 ( -1.269 -0.000 -9.597) 9.680 15.349 ( -4.171 -0.000 -15.759) 16.302 15.425 ( -3.622 -0.000 -2.038) 4.156 15.559 ( -2.874 0.000 2.781) 4.000 15.989 ( 6.478 -0.000 0.013) 6.478 16.838 ( 0.052 -0.000 -13.443) 13.443 17.312 ( 5.685 -0.000 1.386) 5.852 17.618 ( -5.040 0.000 5.235) 7.267 17.777 ( -4.581 -0.000 -6.961) 8.333 19.415 ( 12.637 0.000 10.169) 16.221 19.944 ( -10.452 0.000 4.526) 11.390 ======================= Grid point 136 (98/148) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.000 -0.000 -37.455) 37.455 1.644 ( -0.000 -0.000 -38.981) 38.981 2.472 ( -0.000 -0.000 -59.430) 59.430 3.720 ( -0.000 -0.000 -10.037) 10.037 4.038 ( -0.000 -0.000 -14.592) 14.592 4.656 ( 0.000 0.000 4.735) 4.735 5.951 ( -0.000 -0.000 -0.789) 0.789 6.596 ( 0.000 0.000 0.024) 0.024 6.941 ( -0.000 -0.000 -1.556) 1.556 7.230 ( 0.000 0.000 5.071) 5.071 7.684 ( -0.000 -0.000 -8.630) 8.630 8.211 ( -0.000 -0.000 -11.688) 11.688 8.434 ( 0.000 0.000 3.151) 3.151 8.701 ( 0.000 0.000 0.881) 0.881 8.938 ( -0.000 -0.000 -27.536) 27.536 9.811 ( 0.000 0.000 3.148) 3.148 10.954 ( 0.000 0.000 3.201) 3.201 11.126 ( 0.000 0.000 23.630) 23.630 11.398 ( 0.000 0.000 5.493) 5.493 11.489 ( 0.000 0.000 12.047) 12.047 11.518 ( 0.000 0.000 10.319) 10.319 11.591 ( -0.000 -0.000 -0.891) 0.891 11.856 ( -0.000 -0.000 -5.660) 5.660 11.866 ( -0.000 -0.000 -10.603) 10.603 12.302 ( -0.000 -0.000 -5.512) 5.512 12.361 ( -0.000 -0.000 -2.910) 2.910 13.358 ( 0.000 0.000 11.232) 11.232 13.683 ( 0.000 0.000 0.398) 0.398 13.900 ( -0.000 -0.000 -7.627) 7.627 14.391 ( -0.000 -0.000 -6.404) 6.404 14.665 ( -0.000 -0.000 -16.372) 16.372 14.734 ( 0.000 0.000 3.720) 3.720 14.868 ( 0.000 0.000 4.858) 4.858 15.197 ( -0.000 -0.000 -14.184) 14.184 15.314 ( 0.000 0.000 1.582) 1.582 15.728 ( 0.000 0.000 0.916) 0.916 16.057 ( -0.000 -0.000 -9.743) 9.743 17.156 ( 0.000 0.000 3.511) 3.511 17.967 ( -0.000 -0.000 -2.203) 2.203 18.017 ( -0.000 -0.000 -1.356) 1.356 19.034 ( -0.000 -0.000 -2.249) 2.249 20.710 ( 0.000 0.000 8.128) 8.128 ======================= Grid point 137 (99/148) ======================= q-point: ( 0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -0.000 29.578 1.222) 29.604 3.389 ( -0.000 36.135 -4.845) 36.458 3.479 ( 0.000 -1.209 -0.910) 1.513 4.006 ( -0.000 3.121 -15.861) 16.165 4.401 ( 0.000 -4.872 -1.462) 5.086 5.547 ( 0.000 -1.953 1.771) 2.636 5.761 ( -0.000 29.977 14.236) 33.186 6.917 ( -0.000 -0.970 -16.637) 16.665 7.479 ( -0.000 4.647 -0.373) 4.662 7.541 ( 0.000 -6.052 10.267) 11.917 7.847 ( 0.000 4.664 5.733) 7.390 8.404 ( -0.000 26.461 -0.458) 26.465 8.645 ( 0.000 -1.970 1.685) 2.593 8.751 ( 0.000 2.158 15.483) 15.633 9.501 ( -0.000 8.162 -4.992) 9.568 9.684 ( 0.000 -28.181 -14.028) 31.480 10.147 ( 0.000 -4.129 -2.472) 4.813 10.423 ( 0.000 -3.476 0.149) 3.479 10.606 ( 0.000 -15.371 2.808) 15.625 10.888 ( -0.000 0.967 -7.748) 7.809 11.059 ( 0.000 -9.993 2.949) 10.419 11.814 ( -0.000 4.255 -7.791) 8.877 11.894 ( 0.000 4.443 13.927) 14.619 12.188 ( 0.000 4.448 10.263) 11.186 12.641 ( 0.000 0.222 10.548) 10.550 13.018 ( 0.000 -13.346 2.081) 13.508 13.162 ( -0.000 5.542 -14.775) 15.780 13.690 ( -0.000 0.201 -11.263) 11.265 13.723 ( 0.000 9.802 13.283) 16.508 14.111 ( -0.000 10.380 0.521) 10.393 14.433 ( 0.000 -7.749 -3.802) 8.632 14.857 ( -0.000 1.782 -6.826) 7.055 15.316 ( -0.000 0.138 -0.867) 0.878 15.447 ( 0.000 -3.667 2.245) 4.300 15.574 ( 0.000 4.989 4.402) 6.653 16.012 ( -0.000 1.429 -2.302) 2.709 16.796 ( -0.000 6.486 -17.844) 18.986 17.090 ( -0.000 4.073 -9.707) 10.527 18.321 ( 0.000 0.383 7.627) 7.636 18.690 ( 0.000 -6.335 4.914) 8.017 19.175 ( -0.000 12.784 3.716) 13.313 19.314 ( 0.000 -11.123 6.077) 12.675 ======================= Grid point 138 (100/148) ======================= q-point: ( 0.33 -0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 5.792 13.095 -12.169) 18.792 3.567 ( 4.457 9.463 3.160) 10.927 4.012 ( 0.227 8.264 -10.000) 12.975 4.065 ( 0.477 15.360 -13.584) 20.511 4.592 ( 24.360 -1.862 -1.156) 24.459 5.080 ( -4.277 -20.759 5.584) 21.918 6.481 ( -3.086 17.859 -5.354) 18.898 6.869 ( -7.566 10.440 -7.116) 14.726 7.204 ( -7.796 -14.640 7.377) 18.152 7.776 ( 9.180 5.842 -5.720) 12.293 8.010 ( 4.972 1.738 5.993) 7.978 8.456 ( -2.904 2.511 7.578) 8.495 8.677 ( 0.818 -7.287 0.251) 7.337 8.753 ( 6.449 -2.791 -1.741) 7.239 9.359 ( -10.260 4.216 -7.892) 13.614 9.657 ( 4.332 -1.389 -0.901) 4.638 10.158 ( 4.588 -2.398 8.248) 9.739 10.353 ( 6.909 -13.062 6.847) 16.286 10.407 ( -0.903 7.166 -0.588) 7.246 10.863 ( 1.222 -4.501 -0.874) 4.745 11.039 ( 5.759 2.907 -2.386) 6.878 11.839 ( -4.190 3.542 -4.468) 7.076 12.054 ( -4.455 8.535 5.397) 11.037 12.274 ( 4.189 4.331 2.137) 6.393 12.504 ( -0.810 -9.857 6.820) 12.014 12.684 ( -14.307 -2.309 3.641) 14.942 13.147 ( 1.508 -9.252 -5.359) 10.798 13.631 ( -4.157 -3.327 -8.571) 10.090 13.910 ( -7.487 12.416 9.432) 17.297 14.281 ( 1.943 7.757 -2.907) 8.509 14.504 ( 10.248 -1.380 1.179) 10.407 14.970 ( 4.560 5.821 -11.391) 13.580 15.311 ( 0.296 -1.690 -1.428) 2.232 15.459 ( 4.252 0.158 3.674) 5.621 15.593 ( 1.833 -5.402 4.797) 7.454 16.137 ( 3.957 6.567 -6.842) 10.276 16.898 ( 0.050 4.033 -16.086) 16.584 17.164 ( -0.677 4.294 -12.767) 13.487 18.212 ( -4.198 -11.679 5.488) 13.570 18.527 ( -2.576 -2.393 12.910) 13.380 18.957 ( -1.633 -13.452 3.082) 13.897 19.530 ( -2.658 16.924 3.675) 17.521 ======================= Grid point 141 (101/148) ======================= q-point: (-0.67 -0.17 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -0.971 0.658 -19.348) 19.384 3.775 ( -1.517 -8.040 -8.192) 11.578 3.957 ( 2.615 -4.789 -1.485) 5.655 4.206 ( -8.475 4.329 3.306) 10.075 4.858 ( -4.698 9.899 -3.705) 11.567 5.253 ( 34.844 0.041 -1.604) 34.881 6.303 ( -2.767 -16.294 -4.919) 17.244 6.683 ( -7.692 -18.267 7.355) 21.142 6.938 ( -14.611 10.700 -6.938) 19.393 7.612 ( -6.075 -9.369 -17.895) 21.093 8.335 ( -11.363 -1.157 -9.429) 14.811 8.540 ( 6.678 12.224 11.297) 17.934 8.712 ( 7.445 6.449 8.080) 12.739 8.990 ( 16.011 3.226 3.918) 16.796 9.217 ( 3.500 2.560 8.800) 9.811 9.813 ( 9.019 0.527 1.018) 9.092 10.205 ( 4.866 -7.173 -0.040) 8.668 10.277 ( 0.192 2.647 1.208) 2.916 10.635 ( 3.799 8.238 3.571) 9.750 10.912 ( 11.441 -4.421 -0.073) 12.266 11.274 ( 4.279 8.432 -0.949) 9.503 11.777 ( -5.979 1.205 -5.822) 8.432 12.056 ( -9.554 8.075 0.424) 12.517 12.213 ( -13.735 -4.046 4.287) 14.946 12.329 ( 0.457 -7.878 1.178) 7.979 12.545 ( -2.035 2.747 -2.298) 4.119 12.839 ( -7.566 -10.680 4.065) 13.705 13.520 ( -1.955 -0.344 -3.568) 4.083 13.964 ( -3.780 8.404 6.496) 11.274 14.436 ( 5.706 -4.895 -5.426) 9.271 14.630 ( 2.082 1.628 4.199) 4.961 15.215 ( 5.298 2.633 -10.497) 12.050 15.251 ( -5.421 4.154 -5.780) 8.948 15.519 ( 3.365 -2.480 2.601) 4.923 15.560 ( 4.928 -3.277 5.324) 7.961 16.313 ( 3.175 -0.712 -10.333) 10.833 16.953 ( -1.671 3.199 -12.892) 13.388 17.272 ( 0.833 6.995 -12.030) 13.940 17.726 ( -10.166 -15.532 7.238) 19.924 18.455 ( -0.464 -9.611 1.763) 9.782 18.790 ( 4.176 -0.087 14.702) 15.284 19.752 ( -5.514 13.095 2.600) 14.445 ======================= Grid point 142 (102/148) ======================= q-point: ( 0.33 -0.17 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -11.067 -19.584 -4.190) 22.882 3.445 ( -11.868 -3.462 -19.333) 22.948 3.874 ( -9.517 1.631 -12.147) 15.517 4.194 ( -3.369 4.887 14.321) 15.502 4.867 ( -9.501 2.079 2.805) 10.122 5.706 ( 5.719 -4.552 -9.507) 11.992 6.046 ( 13.146 -13.262 -7.402) 20.087 6.259 ( -3.491 -10.420 10.223) 15.009 6.866 ( -6.074 2.980 -5.245) 8.561 7.344 ( -3.145 -4.453 -15.958) 16.863 7.943 ( -18.592 1.687 3.308) 18.959 8.532 ( -6.243 1.242 30.838) 31.488 9.293 ( 8.251 17.085 -11.697) 22.289 9.393 ( 8.087 8.437 3.417) 12.176 9.625 ( 19.491 2.909 1.676) 19.778 9.891 ( 7.280 -5.701 -7.022) 11.611 10.200 ( 15.406 -9.920 -4.419) 18.848 10.495 ( 4.119 11.697 6.096) 13.818 10.766 ( 0.368 -0.560 13.949) 13.965 11.152 ( 17.592 -1.296 -12.125) 21.405 11.406 ( -14.772 6.630 0.616) 16.203 11.707 ( -1.240 1.796 -7.901) 8.197 11.798 ( -12.324 -0.243 2.950) 12.674 12.003 ( -3.958 -6.714 -1.806) 8.000 12.190 ( -2.656 -2.201 3.875) 5.188 12.303 ( -4.459 -6.961 0.920) 8.318 12.673 ( -10.756 4.269 5.766) 12.929 13.512 ( 0.471 1.592 -3.562) 3.930 14.146 ( 5.100 6.522 3.682) 9.061 14.334 ( 1.636 -10.275 0.024) 10.405 14.586 ( -2.710 -4.771 2.829) 6.174 15.185 ( -7.961 6.629 -7.185) 12.607 15.365 ( -0.925 1.825 -5.720) 6.075 15.502 ( 1.274 -0.126 -0.476) 1.366 15.644 ( 0.847 0.349 -0.963) 1.329 16.135 ( -0.655 -14.397 -4.069) 14.975 16.994 ( -6.960 8.045 -8.351) 13.524 17.327 ( -5.930 -2.544 9.674) 11.628 17.474 ( 5.315 1.686 -10.408) 11.807 18.169 ( -0.387 -13.086 -10.161) 16.572 19.044 ( 10.210 5.807 20.411) 23.549 19.814 ( -7.519 6.522 1.654) 10.089 ======================= Grid point 143 (103/148) ======================= q-point: (-0.17 -0.17 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 11.872 24.369 -2.522) 27.224 3.498 ( 17.958 1.383 -12.792) 22.091 3.665 ( 1.749 9.588 -2.591) 10.085 4.064 ( 5.125 -8.404 -4.839) 10.968 4.906 ( -3.320 26.850 4.624) 27.447 5.745 ( 7.496 -5.339 3.361) 9.798 5.957 ( 6.764 -0.700 9.902) 12.012 6.608 ( 5.890 -12.546 4.533) 14.582 7.372 ( -3.741 19.817 -2.673) 20.344 7.471 ( 0.770 34.329 -2.855) 34.456 7.887 ( 4.598 4.674 -15.796) 17.103 8.176 ( 7.087 -7.821 -8.286) 13.419 8.678 ( 1.938 -13.313 -7.649) 15.476 9.342 ( -12.744 -13.530 6.115) 19.567 9.701 ( 11.425 -9.240 2.529) 14.910 10.021 ( -3.130 -3.552 17.417) 18.048 10.316 ( 2.301 2.222 -1.158) 3.402 10.332 ( -1.305 -9.976 5.870) 11.649 10.719 ( 7.381 -3.975 -4.368) 9.453 10.939 ( 5.192 -5.437 2.415) 7.896 11.087 ( -8.952 0.297 -1.262) 9.046 11.404 ( -12.893 -3.759 -2.414) 13.646 11.865 ( -1.885 5.679 2.209) 6.379 12.275 ( -1.544 -2.756 -7.337) 7.988 12.431 ( 0.364 -2.314 -2.012) 3.088 12.627 ( -5.009 7.381 -1.776) 9.095 13.007 ( 1.969 21.422 -8.614) 23.173 13.617 ( 0.254 7.463 5.529) 9.291 13.967 ( -1.444 -15.955 -5.221) 16.850 14.190 ( -0.417 -13.687 -1.720) 13.801 14.628 ( 10.065 6.878 8.087) 14.629 15.086 ( -5.994 8.079 -0.013) 10.060 15.213 ( 10.656 2.496 8.592) 13.914 15.565 ( -3.396 0.662 5.520) 6.515 15.788 ( 4.005 9.021 -3.676) 10.532 16.202 ( 2.669 -6.129 4.741) 8.196 16.443 ( 7.112 5.754 4.178) 10.057 16.938 ( 0.054 -4.945 2.397) 5.496 18.137 ( -7.346 15.774 -5.426) 18.227 18.693 ( -0.901 5.015 -2.542) 5.695 18.989 ( 0.608 -6.438 -5.826) 8.704 19.405 ( -4.432 -12.597 -2.353) 13.559 ======================= Grid point 144 (104/148) ======================= q-point: (-0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 8.248 -13.993 -9.245) 18.689 3.644 ( -8.248 13.993 -9.245) 18.689 3.905 ( -0.874 -11.719 0.138) 11.753 3.905 ( 0.874 11.719 0.138) 11.753 5.385 ( 3.983 -28.341 9.768) 30.241 5.385 ( -3.983 28.341 9.768) 30.241 6.339 ( -0.766 -17.344 7.714) 18.997 6.339 ( 0.766 17.344 7.714) 18.997 7.683 ( -3.336 -8.231 -7.734) 11.776 7.683 ( 3.336 8.231 -7.734) 11.776 8.271 ( -7.335 -15.068 -3.653) 17.152 8.271 ( 7.335 15.068 -3.653) 17.152 8.626 ( -21.036 -19.177 -7.790) 29.512 8.626 ( 21.036 19.177 -7.790) 29.512 9.798 ( -14.449 3.902 12.531) 19.520 9.798 ( 14.449 -3.902 12.531) 19.520 10.296 ( -1.480 -4.262 1.298) 4.695 10.296 ( 1.480 4.262 1.298) 4.695 10.893 ( -10.078 0.553 -3.808) 10.788 10.893 ( 10.078 -0.553 -3.808) 10.788 11.101 ( -10.088 -2.195 2.555) 10.636 11.101 ( 10.088 2.195 2.555) 10.636 12.029 ( 0.085 -11.769 -6.497) 13.444 12.029 ( -0.085 11.769 -6.497) 13.444 12.566 ( -6.009 -1.311 -0.018) 6.150 12.566 ( 6.009 1.311 -0.018) 6.150 13.510 ( -3.713 -21.552 -7.538) 23.132 13.510 ( 3.713 21.552 -7.538) 23.132 13.873 ( -0.344 -15.016 3.357) 15.390 13.873 ( 0.344 15.016 3.357) 15.390 14.974 ( -9.111 -3.934 4.540) 10.913 14.974 ( 9.111 3.934 4.540) 10.913 15.436 ( -3.991 -3.486 5.286) 7.485 15.436 ( 3.991 3.486 5.286) 7.485 16.044 ( -2.061 -8.965 4.271) 10.142 16.044 ( 2.061 8.965 4.271) 10.142 16.746 ( -5.824 -7.766 3.666) 10.376 16.746 ( 5.824 7.766 3.666) 10.376 18.425 ( 0.271 -19.838 -9.532) 22.011 18.425 ( -0.271 19.838 -9.532) 22.011 19.127 ( -0.405 -11.990 -0.125) 11.997 19.127 ( 0.405 11.990 -0.125) 11.997 ======================= Grid point 146 (105/148) ======================= q-point: ( 0.33 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -19.538 0.000 3.387) 19.830 2.998 ( -26.604 -0.000 -14.035) 30.079 3.695 ( -8.694 -0.000 -16.043) 18.248 4.161 ( -8.497 0.000 17.851) 19.770 4.606 ( -13.318 0.000 13.318) 18.834 5.713 ( 5.254 -0.000 -9.991) 11.288 6.053 ( -3.029 -0.000 -25.825) 26.002 6.141 ( 2.593 0.000 10.671) 10.982 6.661 ( -10.866 -0.000 -8.110) 13.559 7.254 ( -8.492 0.000 23.703) 25.178 7.732 ( -6.771 0.000 -0.997) 6.844 8.576 ( 9.445 0.000 18.872) 21.103 9.338 ( -15.906 -0.000 -12.514) 20.239 9.692 ( 2.699 -0.000 -3.217) 4.199 9.696 ( -1.233 0.000 4.727) 4.885 10.172 ( 18.650 -0.000 -6.400) 19.717 10.591 ( 21.896 -0.000 -12.688) 25.307 10.601 ( 0.764 0.000 13.411) 13.433 10.899 ( -26.439 0.000 -1.838) 26.503 10.964 ( 17.548 0.000 6.124) 18.586 11.396 ( 0.408 -0.000 -12.252) 12.259 11.692 ( 0.751 -0.000 -6.603) 6.646 11.834 ( -1.859 -0.000 -0.862) 2.049 11.868 ( 9.073 0.000 9.041) 12.809 12.142 ( -0.749 0.000 2.029) 2.162 12.187 ( 0.851 0.000 0.329) 0.913 12.451 ( -13.403 0.000 7.493) 15.355 13.582 ( 2.509 -0.000 -4.994) 5.589 14.190 ( -2.794 0.000 4.127) 4.984 14.333 ( 4.517 -0.000 0.964) 4.619 14.444 ( -4.006 0.000 4.078) 5.716 15.070 ( -10.491 -0.000 -5.181) 11.700 15.327 ( -5.277 0.000 3.604) 6.390 15.456 ( -9.773 -0.000 -9.069) 13.333 15.554 ( 2.331 -0.000 -5.566) 6.035 16.079 ( 6.476 0.000 5.498) 8.495 16.858 ( -13.556 -0.000 -6.062) 14.850 17.256 ( -1.080 0.000 4.977) 5.093 17.607 ( 5.869 -0.000 -0.113) 5.870 18.049 ( 2.413 -0.000 -19.686) 19.833 19.305 ( 5.971 0.000 20.381) 21.237 19.739 ( -3.778 0.000 1.115) 3.939 ======================= Grid point 153 (106/148) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.000 -4.455 -32.156) 32.463 2.453 ( -0.000 -10.481 -34.099) 35.673 3.700 ( -0.000 -16.581 -34.909) 38.646 3.876 ( -0.000 5.309 -9.990) 11.313 4.376 ( -0.000 -1.015 -21.017) 21.042 4.522 ( 0.000 2.278 6.601) 6.983 6.115 ( 0.000 -14.578 0.587) 14.589 6.539 ( -0.000 4.765 -6.492) 8.053 7.134 ( -0.000 -0.690 -10.562) 10.585 7.345 ( 0.000 -15.498 -1.437) 15.565 7.840 ( -0.000 2.863 -5.388) 6.102 8.145 ( -0.000 10.328 -8.955) 13.670 8.586 ( 0.000 -2.770 3.076) 4.140 8.785 ( 0.000 -11.959 -3.036) 12.339 9.410 ( -0.000 -2.115 -15.338) 15.483 9.829 ( 0.000 -4.008 -0.705) 4.069 10.439 ( 0.000 11.830 31.380) 33.535 10.805 ( 0.000 3.921 6.352) 7.464 11.110 ( 0.000 11.150 12.918) 17.064 11.150 ( -0.000 12.020 4.991) 13.015 11.227 ( 0.000 3.433 10.769) 11.303 11.653 ( 0.000 -2.457 -1.923) 3.120 12.021 ( -0.000 -5.782 -4.943) 7.607 12.199 ( -0.000 -8.490 -13.152) 15.654 12.355 ( 0.000 -3.033 2.766) 4.105 12.589 ( -0.000 -2.222 -8.560) 8.844 13.132 ( 0.000 -3.739 11.687) 12.270 13.535 ( -0.000 9.126 -0.239) 9.129 14.046 ( -0.000 1.033 -8.391) 8.454 14.592 ( -0.000 5.765 -10.591) 12.059 14.687 ( 0.000 -2.426 3.098) 3.935 14.713 ( 0.000 4.417 6.637) 7.973 15.096 ( -0.000 -11.399 -11.641) 16.293 15.282 ( 0.000 -0.042 1.505) 1.505 15.608 ( -0.000 -3.708 -20.829) 21.156 15.665 ( 0.000 2.424 2.925) 3.799 16.286 ( -0.000 -1.878 -12.114) 12.259 17.032 ( -0.000 5.224 1.357) 5.397 18.032 ( 0.000 -6.802 2.059) 7.107 18.220 ( 0.000 -13.752 -1.489) 13.832 19.030 ( 0.000 0.918 2.122) 2.312 20.414 ( -0.000 10.819 8.156) 13.549 ======================= Grid point 154 (107/148) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -0.000 34.557 0.000) 34.557 2.645 ( -0.000 41.955 0.000) 41.955 3.512 ( 0.000 -0.635 -0.000) 0.635 4.016 ( -0.000 8.013 0.000) 8.013 4.395 ( -0.000 64.500 0.000) 64.500 4.525 ( 0.000 -5.702 -0.000) 5.702 5.935 ( 0.000 -17.029 -0.000) 17.029 7.254 ( 0.000 -1.022 -0.000) 1.022 7.279 ( -0.000 12.966 0.000) 12.966 7.438 ( 0.000 -1.637 -0.000) 1.637 7.707 ( -0.000 3.922 0.000) 3.922 7.860 ( -0.000 26.216 0.000) 26.216 8.428 ( -0.000 5.142 0.000) 5.142 8.670 ( 0.000 -1.223 -0.000) 1.223 9.236 ( -0.000 15.584 0.000) 15.584 10.336 ( -0.000 5.750 0.000) 5.750 10.470 ( 0.000 -13.476 -0.000) 13.476 10.488 ( 0.000 -30.607 -0.000) 30.607 10.886 ( 0.000 -12.110 -0.000) 12.110 11.150 ( 0.000 -13.422 -0.000) 13.422 11.268 ( 0.000 -11.303 -0.000) 11.303 11.664 ( 0.000 -3.915 -0.000) 3.915 11.837 ( -0.000 7.498 0.000) 7.498 11.895 ( -0.000 5.410 0.000) 5.410 12.427 ( -0.000 8.382 0.000) 8.382 12.942 ( -0.000 27.630 0.000) 27.630 13.343 ( 0.000 -16.501 -0.000) 16.501 13.570 ( 0.000 -5.717 -0.000) 5.717 13.840 ( 0.000 -2.107 -0.000) 2.107 13.892 ( -0.000 8.163 0.000) 8.163 14.644 ( 0.000 -9.102 -0.000) 9.102 14.868 ( -0.000 3.059 0.000) 3.059 15.320 ( 0.000 -0.156 -0.000) 0.156 15.399 ( -0.000 8.286 0.000) 8.286 15.527 ( 0.000 -5.375 -0.000) 5.375 15.973 ( -0.000 2.794 0.000) 2.794 16.935 ( -0.000 4.188 0.000) 4.188 17.032 ( -0.000 8.320 0.000) 8.320 18.186 ( -0.000 2.967 0.000) 2.967 18.782 ( 0.000 -6.265 -0.000) 6.265 18.803 ( -0.000 16.283 0.000) 16.283 19.502 ( 0.000 -11.852 -0.000) 11.852 ======================= Grid point 155 (108/148) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 15.118 29.504 0.000) 33.152 3.396 ( -1.834 21.899 -0.000) 21.976 3.599 ( 6.977 12.897 0.000) 14.663 4.104 ( -6.126 6.825 -0.000) 9.171 4.686 ( 24.470 -4.244 0.000) 24.836 5.506 ( -0.403 -24.943 0.000) 24.947 5.652 ( 4.172 53.230 -0.000) 53.394 7.166 ( -3.512 -6.860 -0.000) 7.706 7.190 ( -8.765 -4.150 -0.000) 9.697 7.610 ( 9.626 10.635 0.000) 14.344 7.943 ( 12.017 -0.497 0.000) 12.027 8.281 ( -16.872 4.369 -0.000) 17.429 8.381 ( -7.839 29.214 -0.000) 30.247 8.835 ( 15.021 -2.401 0.000) 15.211 9.597 ( 2.228 2.498 0.000) 3.347 9.876 ( 3.173 -25.786 0.000) 25.980 10.236 ( 3.522 -11.938 0.000) 12.446 10.281 ( -8.242 1.779 -0.000) 8.432 10.605 ( 1.704 -14.655 0.000) 14.754 11.011 ( 2.424 -1.612 0.000) 2.911 11.086 ( 5.484 -9.922 0.000) 11.336 11.671 ( -4.856 7.402 -0.000) 8.853 11.897 ( -7.409 6.307 -0.000) 9.730 12.116 ( 8.729 6.320 0.000) 10.777 12.553 ( 1.203 1.442 0.000) 1.878 12.757 ( -18.519 -11.348 -0.000) 21.719 13.414 ( -4.933 22.696 -0.000) 23.226 13.493 ( 4.272 -13.257 0.000) 13.928 13.816 ( -2.820 -4.464 -0.000) 5.280 14.073 ( 0.670 10.527 -0.000) 10.549 14.605 ( 11.822 -5.682 0.000) 13.116 14.971 ( 3.267 4.946 0.000) 5.927 15.373 ( -3.233 -1.001 -0.000) 3.384 15.404 ( 7.269 -0.152 0.000) 7.271 15.602 ( 5.528 -0.405 0.000) 5.543 16.064 ( 2.666 5.646 0.000) 6.243 17.014 ( -0.172 4.321 -0.000) 4.325 17.175 ( -1.268 6.695 -0.000) 6.814 18.217 ( -1.461 2.449 -0.000) 2.852 18.542 ( -7.375 -12.128 -0.000) 14.194 19.143 ( -0.817 17.507 -0.000) 17.526 19.202 ( -2.813 -12.931 -0.000) 13.234 ======================= Grid point 156 (109/148) ======================= q-point: (-0.31 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 6.081 -0.000 -34.217) 34.753 2.362 ( 3.020 -0.000 -29.204) 29.360 3.710 ( 16.472 -0.000 -39.741) 43.020 3.781 ( -11.284 -0.000 -12.246) 16.652 4.479 ( 9.091 -0.000 -14.807) 17.375 4.787 ( 21.008 -0.000 4.979) 21.590 5.948 ( -2.518 0.000 -0.788) 2.638 6.568 ( -3.438 -0.000 -6.604) 7.446 6.902 ( -16.884 0.000 5.864) 17.874 6.995 ( -10.849 -0.000 -13.034) 16.958 7.991 ( 6.318 -0.000 -6.605) 9.140 8.506 ( 8.081 -0.000 -14.124) 16.272 8.606 ( 19.123 -0.000 1.578) 19.188 8.895 ( 20.302 -0.000 2.883) 20.505 9.435 ( 4.176 -0.000 -16.444) 16.966 9.764 ( -2.153 -0.000 -1.059) 2.399 10.460 ( -9.016 0.000 31.552) 32.815 10.810 ( -3.562 0.000 10.975) 11.538 11.200 ( -2.503 0.000 7.579) 7.982 11.204 ( -3.242 0.000 16.892) 17.201 11.376 ( 5.118 0.000 3.033) 5.949 11.631 ( 1.365 -0.000 -1.298) 1.883 11.987 ( -9.407 -0.000 -10.871) 14.376 12.014 ( 2.393 -0.000 -4.828) 5.388 12.310 ( -1.203 0.000 1.159) 1.670 12.589 ( 2.852 -0.000 -14.674) 14.948 12.987 ( -10.908 0.000 12.644) 16.699 13.652 ( -3.723 0.000 0.514) 3.759 14.076 ( 2.606 -0.000 -6.196) 6.722 14.322 ( -7.455 0.000 0.667) 7.485 14.740 ( -1.749 0.000 3.066) 3.530 14.785 ( 2.811 -0.000 -6.927) 7.476 15.053 ( 1.344 -0.000 -18.349) 18.399 15.426 ( 7.325 -0.000 -0.949) 7.386 15.549 ( -0.729 -0.000 -14.754) 14.772 15.725 ( 5.073 0.000 4.121) 6.536 16.320 ( 5.352 -0.000 -12.217) 13.338 17.121 ( 2.485 0.000 1.980) 3.177 17.964 ( -3.833 0.000 3.205) 4.996 17.979 ( -3.941 -0.000 -2.382) 4.605 19.101 ( 5.727 0.000 1.827) 6.012 20.450 ( -7.193 0.000 7.952) 10.723 ======================= Grid point 158 (110/148) ======================= q-point: ( 0.19 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 6.095 19.774 0.000) 20.692 3.550 ( 0.983 4.160 0.000) 4.274 4.039 ( -11.204 4.339 -0.000) 12.015 4.079 ( -0.667 11.842 -0.000) 11.861 4.990 ( 0.851 -21.985 0.000) 22.001 5.299 ( 38.427 -2.052 0.000) 38.482 6.509 ( -2.567 23.706 -0.000) 23.845 6.854 ( -6.434 -13.536 -0.000) 14.987 6.883 ( -6.003 -8.591 -0.000) 10.481 7.998 ( 1.668 -6.615 0.000) 6.822 8.021 ( -17.262 8.683 -0.000) 19.323 8.183 ( 13.457 16.310 0.000) 21.145 8.749 ( 0.354 17.963 -0.000) 17.967 9.069 ( -23.222 -20.691 -0.000) 31.102 9.085 ( 21.382 -4.182 0.000) 21.787 9.797 ( 14.211 -4.553 0.000) 14.923 10.236 ( 7.711 -0.263 0.000) 7.716 10.333 ( -3.776 1.725 -0.000) 4.151 10.466 ( 6.888 -2.314 0.000) 7.267 11.092 ( 12.776 -8.535 0.000) 15.365 11.114 ( 0.705 6.205 -0.000) 6.245 11.743 ( -8.612 13.948 -0.000) 16.393 11.803 ( -13.357 6.224 -0.000) 14.736 12.249 ( -13.677 -5.110 -0.000) 14.600 12.423 ( 6.273 5.973 0.000) 8.661 12.504 ( 1.261 -8.168 0.000) 8.265 13.167 ( -5.591 -19.638 -0.000) 20.419 13.606 ( -3.692 -4.335 -0.000) 5.694 13.659 ( -4.567 14.525 -0.000) 15.226 14.352 ( 0.795 13.912 -0.000) 13.935 14.724 ( 10.965 -10.021 0.000) 14.854 15.205 ( 6.324 7.308 0.000) 9.664 15.296 ( -3.971 -1.137 -0.000) 4.131 15.549 ( 8.203 -3.768 0.000) 9.027 15.607 ( 3.647 -5.761 0.000) 6.818 16.326 ( 7.133 7.795 0.000) 10.566 17.109 ( 0.492 4.388 -0.000) 4.415 17.225 ( -5.656 3.213 -0.000) 6.505 18.016 ( -12.684 -15.229 -0.000) 19.819 18.279 ( 1.202 5.809 0.000) 5.932 18.901 ( -1.354 -13.353 0.000) 13.421 19.440 ( -2.796 15.321 -0.000) 15.574 ======================= Grid point 159 (111/148) ======================= q-point: ( 0.19 -0.19 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( -10.415 -11.223 -0.000) 15.311 3.722 ( -19.264 4.854 -0.000) 19.866 3.901 ( -4.056 5.436 -0.000) 6.782 3.911 ( 0.275 -9.815 0.000) 9.819 4.812 ( -4.723 -0.194 -0.000) 4.727 5.969 ( 24.974 -5.355 0.000) 25.542 6.394 ( -6.289 -17.248 -0.000) 18.359 6.445 ( 6.165 -16.666 0.000) 17.770 6.787 ( -3.237 6.611 -0.000) 7.361 7.843 ( -15.025 7.311 -0.000) 16.710 7.924 ( -33.277 -18.140 -0.000) 37.900 7.986 ( 2.331 2.440 0.000) 3.375 8.995 ( 9.817 21.773 0.000) 23.883 9.147 ( 5.970 14.070 0.000) 15.284 9.576 ( 26.691 0.999 0.000) 26.710 10.101 ( 16.958 -5.178 0.000) 17.731 10.280 ( 1.891 -0.409 0.000) 1.934 10.383 ( 4.472 4.647 0.000) 6.450 10.562 ( 2.125 -0.062 0.000) 2.126 11.186 ( -10.660 9.598 -0.000) 14.344 11.307 ( 18.503 -1.756 0.000) 18.586 11.662 ( -13.817 8.269 -0.000) 16.102 11.869 ( -7.972 15.021 -0.000) 17.006 11.936 ( -5.431 -8.402 -0.000) 10.004 12.339 ( 1.309 -10.540 0.000) 10.621 12.523 ( -4.726 2.218 -0.000) 5.221 12.564 ( -9.384 -19.968 -0.000) 22.063 13.528 ( 0.137 -0.585 0.000) 0.601 13.915 ( 4.202 11.592 0.000) 12.330 14.563 ( -2.547 6.468 -0.000) 6.951 14.624 ( 4.671 -15.427 0.000) 16.119 15.134 ( -9.283 1.030 -0.000) 9.340 15.465 ( 6.456 4.026 0.000) 7.608 15.526 ( 1.576 -7.901 0.000) 8.056 15.624 ( 3.842 -0.810 0.000) 3.926 16.504 ( 2.841 -8.781 0.000) 9.229 16.949 ( -18.051 1.875 -0.000) 18.148 17.175 ( -0.500 1.940 -0.000) 2.003 17.684 ( -0.028 -4.148 0.000) 4.148 18.544 ( 7.430 10.980 0.000) 13.258 18.607 ( -0.584 -13.202 0.000) 13.215 19.625 ( -4.827 10.658 -0.000) 11.700 ======================= Grid point 161 (112/148) ======================= q-point: (-0.31 -0.19 0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -0.000 21.604 0.000) 21.604 3.625 ( -0.000 8.846 0.000) 8.846 4.051 ( -0.000 -11.068 0.000) 11.068 4.174 ( -0.000 -0.887 0.000) 0.887 4.675 ( -0.000 19.876 0.000) 19.876 5.748 ( -0.000 -16.690 0.000) 16.690 5.900 ( -0.000 16.540 0.000) 16.540 6.679 ( -0.000 -20.516 0.000) 20.516 7.354 ( -0.000 26.238 0.000) 26.238 7.487 ( -0.000 27.667 0.000) 27.667 8.212 ( -0.000 5.226 0.000) 5.226 8.401 ( -0.000 -6.945 -0.000) 6.945 8.857 ( -0.000 -19.541 -0.000) 19.541 9.058 ( -0.000 -12.785 0.000) 12.785 9.591 ( -0.000 1.405 0.000) 1.405 9.773 ( -0.000 -7.067 0.000) 7.067 10.256 ( -0.000 -3.533 0.000) 3.533 10.455 ( -0.000 -10.002 0.000) 10.002 10.831 ( -0.000 3.165 0.000) 3.165 11.027 ( -0.000 0.504 -0.000) 0.504 11.050 ( 0.000 -6.976 0.000) 6.976 11.240 ( -0.000 -10.187 0.000) 10.187 11.786 ( -0.000 16.007 0.000) 16.007 12.332 ( -0.000 -6.436 0.000) 6.436 12.500 ( 0.000 2.702 0.000) 2.702 12.546 ( -0.000 4.397 0.000) 4.397 13.136 ( -0.000 22.941 -0.000) 22.941 13.574 ( -0.000 9.299 0.000) 9.299 14.067 ( -0.000 -11.680 -0.000) 11.680 14.076 ( 0.000 -20.477 0.000) 20.477 14.837 ( -0.000 6.010 0.000) 6.010 14.915 ( 0.000 3.116 0.000) 3.116 15.189 ( -0.000 9.690 0.000) 9.690 15.479 ( 0.000 -2.593 0.000) 2.593 15.948 ( -0.000 4.349 0.000) 4.349 16.014 ( -0.000 -0.642 0.000) 0.642 16.616 ( -0.000 2.217 -0.000) 2.217 16.887 ( -0.000 -9.196 0.000) 9.196 18.103 ( -0.000 20.142 0.000) 20.142 18.712 ( -0.000 9.517 0.000) 9.517 19.071 ( -0.000 -13.706 0.000) 13.706 19.364 ( -0.000 -11.151 0.000) 11.151 ======================= Grid point 163 (113/148) ======================= q-point: ( 0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -20.078 -24.999 -0.000) 32.064 3.203 ( -30.045 -2.476 -0.000) 30.147 3.878 ( -6.565 3.821 -0.000) 7.596 3.879 ( -7.132 2.849 -0.000) 7.680 4.518 ( -15.740 -7.210 -0.000) 17.313 6.007 ( -3.157 -9.984 -0.000) 10.472 6.044 ( 10.441 -9.879 0.000) 14.374 6.484 ( 12.398 -3.761 0.000) 12.956 6.860 ( -1.717 -0.212 -0.000) 1.730 6.877 ( -36.146 -11.323 -0.000) 37.878 7.709 ( -12.966 7.085 -0.000) 14.776 8.259 ( 13.888 8.029 0.000) 16.042 9.344 ( -15.376 12.527 -0.000) 19.833 9.499 ( 5.083 8.206 0.000) 9.653 9.931 ( 0.631 -12.393 0.000) 12.409 10.213 ( 20.622 2.581 0.000) 20.783 10.388 ( 4.590 3.927 0.000) 6.041 10.775 ( 17.168 4.539 0.000) 17.758 10.793 ( 22.065 3.164 0.000) 22.291 10.925 ( -29.486 1.414 -0.000) 29.520 11.496 ( -9.165 2.208 -0.000) 9.427 11.720 ( 17.283 2.112 0.000) 17.412 11.775 ( 0.266 -1.877 0.000) 1.896 12.003 ( -2.304 10.455 -0.000) 10.706 12.008 ( -3.514 -13.873 -0.000) 14.311 12.262 ( 0.528 -6.193 0.000) 6.215 12.372 ( -9.831 -0.937 -0.000) 9.876 13.575 ( 1.607 3.329 0.000) 3.696 14.224 ( 4.897 7.500 0.000) 8.957 14.336 ( -0.793 -15.988 0.000) 16.007 14.479 ( -4.654 -4.244 -0.000) 6.298 15.031 ( -11.267 7.659 -0.000) 13.623 15.344 ( -2.410 -7.044 -0.000) 7.445 15.596 ( -8.833 -2.327 -0.000) 9.134 15.629 ( 4.087 0.994 0.000) 4.206 16.121 ( -1.264 -12.237 0.000) 12.302 16.839 ( -11.220 7.274 -0.000) 13.371 17.190 ( -0.344 1.117 -0.000) 1.169 17.665 ( 5.054 -4.303 0.000) 6.638 18.401 ( 0.817 -6.672 0.000) 6.722 18.927 ( 7.579 8.647 0.000) 11.499 19.676 ( -4.600 4.959 -0.000) 6.764 ======================= Grid point 164 (114/148) ======================= q-point: ( 0.19 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -28.275 0.000 -0.000) 28.275 2.467 ( -36.377 0.000 -0.000) 36.377 3.535 ( -32.310 0.000 -0.000) 32.310 3.753 ( -7.129 0.000 -0.000) 7.129 4.113 ( -12.603 0.000 -0.000) 12.603 5.875 ( -0.308 0.000 -0.000) 0.308 6.050 ( -31.657 0.000 -0.000) 31.657 6.239 ( 17.341 -0.000 0.000) 17.341 6.684 ( -1.215 0.000 -0.000) 1.215 6.768 ( 8.512 -0.000 0.000) 8.512 7.567 ( -8.700 0.000 -0.000) 8.700 8.635 ( 6.003 -0.000 0.000) 6.003 8.990 ( -25.471 0.000 -0.000) 25.471 9.513 ( -12.222 0.000 -0.000) 12.222 9.766 ( 4.227 -0.000 0.000) 4.227 10.187 ( -36.372 0.000 -0.000) 36.372 10.651 ( 13.738 -0.000 0.000) 13.738 10.732 ( 23.736 -0.000 0.000) 23.736 11.153 ( 15.113 -0.000 0.000) 15.113 11.353 ( -7.935 0.000 -0.000) 7.935 11.392 ( 25.608 -0.000 0.000) 25.608 11.782 ( -3.601 0.000 -0.000) 3.601 11.784 ( -0.071 0.000 -0.000) 0.071 11.897 ( -0.530 0.000 -0.000) 0.530 12.083 ( -13.153 0.000 -0.000) 13.153 12.220 ( 2.445 -0.000 0.000) 2.445 12.350 ( 20.164 -0.000 0.000) 20.164 13.683 ( 2.366 -0.000 0.000) 2.366 14.049 ( -5.714 0.000 -0.000) 5.714 14.315 ( -3.362 0.000 -0.000) 3.362 14.370 ( -1.431 0.000 -0.000) 1.431 14.871 ( -10.312 0.000 -0.000) 10.312 15.194 ( -4.447 0.000 -0.000) 4.447 15.317 ( -10.338 0.000 -0.000) 10.338 15.703 ( 3.181 -0.000 0.000) 3.181 16.020 ( -5.296 0.000 -0.000) 5.296 16.697 ( -5.802 0.000 -0.000) 5.802 17.210 ( 0.630 -0.000 0.000) 0.630 17.736 ( 6.027 -0.000 0.000) 6.027 18.356 ( 0.406 -0.000 0.000) 0.406 19.099 ( -0.090 0.000 -0.000) 0.090 19.685 ( 1.112 -0.000 0.000) 1.112 ======================= Grid point 165 (115/148) ======================= q-point: (-0.31 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( -14.996 0.000 -0.000) 14.996 3.741 ( -9.082 -0.000 0.000) 9.082 3.836 ( -6.134 0.000 -0.000) 6.134 3.850 ( -1.692 -0.000 0.000) 1.692 5.275 ( 4.379 -0.000 0.000) 4.379 5.489 ( 13.593 0.000 -0.000) 13.593 5.923 ( -24.834 0.000 0.000) 24.834 6.366 ( 2.620 0.000 0.000) 2.620 7.628 ( -3.948 0.000 0.000) 3.948 7.836 ( -2.131 0.000 -0.000) 2.131 8.252 ( 3.086 0.000 -0.000) 3.086 8.420 ( 4.741 0.000 0.000) 4.741 8.485 ( -5.361 -0.000 -0.000) 5.361 8.855 ( -3.988 0.000 0.000) 3.988 9.698 ( -2.470 0.000 -0.000) 2.470 9.732 ( 4.545 -0.000 0.000) 4.545 10.100 ( -2.088 0.000 0.000) 2.088 10.400 ( 3.448 0.000 0.000) 3.448 10.696 ( -8.169 0.000 -0.000) 8.169 10.859 ( -7.996 -0.000 0.000) 7.996 11.143 ( 4.145 -0.000 0.000) 4.145 11.387 ( 18.154 0.000 0.000) 18.154 11.945 ( -5.847 -0.000 0.000) 5.847 12.269 ( 7.755 0.000 0.000) 7.755 12.452 ( -3.858 0.000 0.000) 3.858 12.717 ( 7.718 0.000 -0.000) 7.718 13.534 ( -8.952 -0.000 -0.000) 8.952 13.554 ( -3.099 0.000 0.000) 3.099 13.745 ( 2.940 -0.000 0.000) 2.940 14.037 ( 9.934 0.000 0.000) 9.934 14.630 ( -15.253 0.000 0.000) 15.253 15.094 ( -0.855 0.000 0.000) 0.855 15.224 ( -1.961 0.000 0.000) 1.961 15.494 ( 3.828 0.000 0.000) 3.828 15.957 ( -2.594 -0.000 -0.000) 2.594 16.039 ( 1.642 0.000 0.000) 1.642 16.475 ( -11.754 0.000 0.000) 11.754 16.860 ( 3.473 0.000 0.000) 3.473 18.525 ( 0.667 0.000 0.000) 0.667 18.583 ( 4.852 -0.000 0.000) 4.852 19.116 ( 0.967 0.000 0.000) 0.967 19.192 ( 4.229 -0.000 0.000) 4.229 ======================= Grid point 171 (116/148) ======================= q-point: (-0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -0.000 -2.246 -23.548) 23.654 3.330 ( -0.000 -12.595 -30.887) 33.356 3.834 ( -0.000 13.502 -3.293) 13.897 4.198 ( -0.000 5.371 -10.263) 11.584 4.347 ( 0.000 1.935 4.676) 5.061 4.852 ( -0.000 -6.024 -13.638) 14.910 6.394 ( 0.000 -9.305 -2.929) 9.755 6.888 ( -0.000 -16.255 -14.528) 21.801 7.219 ( -0.000 7.823 -3.310) 8.495 7.753 ( -0.000 8.808 -2.218) 9.083 7.850 ( 0.000 -19.086 -13.554) 23.410 8.143 ( -0.000 4.897 0.279) 4.905 8.573 ( 0.000 -4.572 4.427) 6.364 9.119 ( -0.000 -8.139 -11.605) 14.175 9.276 ( 0.000 8.875 26.385) 27.837 9.824 ( -0.000 7.963 4.086) 8.950 9.991 ( 0.000 -7.176 -3.204) 7.858 10.571 ( 0.000 8.618 17.730) 19.714 10.591 ( 0.000 6.267 5.411) 8.280 10.962 ( 0.000 0.417 10.816) 10.824 10.965 ( -0.000 9.192 -7.011) 11.560 11.756 ( -0.000 -1.068 -5.038) 5.150 12.212 ( 0.000 -6.861 0.306) 6.868 12.321 ( 0.000 -0.425 4.193) 4.215 12.573 ( 0.000 4.370 4.883) 6.553 12.661 ( -0.000 -10.880 -13.212) 17.115 13.071 ( 0.000 -3.620 9.703) 10.356 13.451 ( -0.000 0.274 -5.506) 5.513 14.178 ( -0.000 1.233 -7.353) 7.456 14.436 ( -0.000 9.205 7.542) 11.900 14.540 ( -0.000 7.847 0.997) 7.910 14.760 ( -0.000 5.821 -14.376) 15.509 15.267 ( 0.000 -1.003 0.798) 1.282 15.460 ( 0.000 -11.828 -0.598) 11.844 15.535 ( 0.000 2.927 4.273) 5.179 15.998 ( -0.000 3.300 -15.977) 16.315 16.603 ( -0.000 0.851 -18.583) 18.602 16.987 ( -0.000 2.740 -7.195) 7.699 18.144 ( 0.000 -12.746 7.251) 14.665 18.524 ( 0.000 -12.318 -0.265) 12.321 18.924 ( 0.000 -2.538 8.800) 9.159 20.001 ( -0.000 14.968 7.254) 16.633 ======================= Grid point 174 (117/148) ======================= q-point: (-0.46 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 1.888 -1.746 -28.042) 28.160 3.077 ( 5.549 -17.322 -19.946) 26.994 3.974 ( -7.125 5.717 -11.025) 14.318 4.243 ( 1.107 4.356 -16.467) 17.070 4.671 ( 22.835 2.426 2.691) 23.121 4.859 ( 3.887 -1.838 -17.260) 17.787 6.060 ( -3.109 -12.830 2.449) 13.427 6.694 ( -9.045 1.803 -9.709) 13.391 7.079 ( -8.546 -11.307 -8.150) 16.349 7.287 ( -18.052 -3.518 -14.024) 23.128 8.084 ( 8.277 -0.754 -4.363) 9.387 8.456 ( 15.425 11.676 -4.770) 19.925 8.694 ( 14.356 1.708 1.291) 14.515 9.030 ( 11.164 -7.063 -9.132) 16.060 9.449 ( 2.572 3.576 23.550) 23.959 9.843 ( -3.889 -1.042 2.775) 4.890 9.905 ( 0.439 -3.793 8.751) 9.548 10.589 ( -2.608 1.129 7.954) 8.447 10.769 ( -2.087 9.296 15.035) 17.799 11.019 ( -1.050 4.270 7.018) 8.282 11.255 ( 8.268 8.731 -2.169) 12.219 11.700 ( 0.438 -3.566 -2.029) 4.126 12.122 ( -1.230 -2.181 -4.579) 5.218 12.275 ( -2.650 -4.185 1.730) 5.247 12.330 ( -8.488 -5.508 -9.441) 13.839 12.705 ( -2.192 4.064 3.927) 6.061 12.915 ( -4.679 -3.663 -2.900) 6.612 13.521 ( -0.896 5.874 0.635) 5.976 14.202 ( 0.409 -0.314 -6.396) 6.417 14.325 ( -9.056 -2.923 7.823) 12.318 14.658 ( 3.346 -2.327 6.279) 7.486 14.946 ( 2.308 3.611 -13.433) 14.100 15.313 ( -2.175 10.177 -15.297) 18.502 15.402 ( 8.070 -2.248 2.474) 8.735 15.588 ( 0.169 0.430 4.560) 4.584 15.989 ( -0.698 -4.897 -15.455) 16.227 16.645 ( 3.625 0.909 -21.395) 21.719 17.073 ( 2.845 2.773 -3.641) 5.389 17.875 ( -5.450 -5.943 8.637) 11.816 18.220 ( -3.184 -13.857 -1.889) 14.343 18.971 ( 5.537 1.319 10.384) 11.842 20.194 ( -4.864 8.786 7.577) 12.580 ======================= Grid point 175 (118/148) ======================= q-point: (-0.46 -0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -2.117 -0.000 -14.088) 14.246 3.005 ( 2.841 -0.000 -29.214) 29.352 3.810 ( -11.583 -0.000 -15.650) 19.471 4.390 ( 4.848 -0.000 -5.397) 7.254 4.860 ( 3.762 -0.000 -9.831) 10.526 5.284 ( 26.345 -0.000 -3.425) 26.567 5.811 ( -9.773 0.000 2.700) 10.139 6.470 ( -11.088 0.000 6.762) 12.988 6.793 ( -5.080 -0.000 -20.981) 21.587 7.018 ( -3.451 -0.000 -8.653) 9.316 8.113 ( -2.001 -0.000 -4.623) 5.037 8.987 ( 6.919 -0.000 -10.579) 12.640 9.097 ( 27.846 -0.000 0.731) 27.856 9.340 ( 26.327 -0.000 1.066) 26.349 9.497 ( -6.491 0.000 27.900) 28.645 9.706 ( -4.917 0.000 0.757) 4.975 9.809 ( -1.109 0.000 1.829) 2.139 10.641 ( 7.083 -0.000 -1.423) 7.224 10.833 ( -2.122 0.000 13.034) 13.206 11.036 ( -1.065 0.000 9.478) 9.537 11.524 ( 6.962 -0.000 -3.678) 7.874 11.669 ( -2.685 -0.000 -2.223) 3.486 11.917 ( -13.026 -0.000 -7.550) 15.056 12.064 ( -3.871 0.000 -0.065) 3.872 12.252 ( -2.233 0.000 0.778) 2.365 12.517 ( -13.554 0.000 7.144) 15.321 12.881 ( -1.575 -0.000 -8.872) 9.011 13.512 ( -4.974 0.000 1.325) 5.147 14.192 ( 0.864 0.000 1.071) 1.376 14.218 ( 2.367 0.000 1.224) 2.665 14.638 ( -0.873 0.000 4.692) 4.772 15.028 ( 2.281 -0.000 -11.474) 11.698 15.428 ( -3.437 -0.000 -21.081) 21.360 15.470 ( -0.620 0.000 1.397) 1.528 15.601 ( 0.533 0.000 4.053) 4.088 15.883 ( 2.399 -0.000 -4.510) 5.109 16.771 ( 5.422 -0.000 -20.980) 21.669 17.189 ( 5.504 -0.000 0.200) 5.507 17.742 ( -6.082 0.000 8.033) 10.076 17.910 ( -7.231 -0.000 -4.234) 8.379 19.168 ( 10.845 0.000 10.234) 14.911 20.143 ( -8.525 0.000 6.450) 10.690 ======================= Grid point 187 (119/148) ======================= q-point: ( 0.40 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -0.000 16.943 -10.940) 20.168 3.516 ( -0.000 8.267 3.615) 9.023 4.007 ( -0.000 12.744 -9.677) 16.002 4.072 ( -0.000 12.929 -22.308) 25.784 4.324 ( 0.000 -2.671 -0.544) 2.726 5.130 ( 0.000 -19.786 7.388) 21.120 6.516 ( -0.000 20.736 -2.731) 20.915 6.959 ( -0.000 11.381 -8.162) 14.005 7.322 ( 0.000 -14.223 6.048) 15.456 7.628 ( -0.000 9.440 -3.141) 9.948 7.938 ( 0.000 4.443 7.634) 8.833 8.533 ( 0.000 -14.058 1.177) 14.107 8.586 ( 0.000 -3.724 2.361) 4.410 8.742 ( 0.000 -2.451 1.195) 2.727 9.543 ( -0.000 -3.416 -15.325) 15.701 9.555 ( -0.000 14.794 -2.223) 14.960 10.087 ( 0.000 -3.229 7.538) 8.200 10.275 ( 0.000 -15.381 15.270) 21.674 10.420 ( -0.000 4.337 -3.308) 5.455 10.862 ( 0.000 -9.152 7.780) 12.012 10.972 ( -0.000 6.626 -7.602) 10.085 11.880 ( -0.000 1.547 -7.903) 8.053 12.102 ( -0.000 14.934 4.518) 15.602 12.223 ( 0.000 -0.502 6.822) 6.841 12.490 ( 0.000 -10.914 7.879) 13.461 12.903 ( 0.000 -1.121 7.175) 7.262 13.102 ( -0.000 -8.711 -11.246) 14.225 13.672 ( -0.000 -2.545 -10.586) 10.887 14.007 ( -0.000 15.330 8.369) 17.466 14.308 ( -0.000 8.728 4.736) 9.930 14.328 ( -0.000 -2.332 -4.112) 4.727 14.920 ( -0.000 4.773 -10.962) 11.956 15.300 ( 0.000 -1.961 -1.072) 2.235 15.414 ( 0.000 0.616 3.860) 3.908 15.577 ( 0.000 -4.266 4.506) 6.205 16.094 ( -0.000 6.634 -6.414) 9.228 16.897 ( -0.000 3.860 -16.179) 16.633 17.171 ( -0.000 3.785 -13.317) 13.844 18.248 ( 0.000 -8.831 5.275) 10.287 18.561 ( 0.000 -5.299 11.489) 12.652 18.977 ( 0.000 -14.579 3.526) 14.999 19.559 ( -0.000 17.399 4.333) 17.930 ======================= Grid point 190 (120/148) ======================= q-point: (-0.60 -0.23 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 4.127 1.217 -17.238) 17.767 3.792 ( -0.719 -11.490 -11.941) 16.587 3.897 ( 3.131 6.010 -2.214) 7.129 4.326 ( -2.591 6.876 -6.446) 9.775 4.599 ( 22.806 2.236 -0.743) 22.927 4.967 ( -4.206 9.303 -2.790) 10.584 6.384 ( -3.768 -18.586 -1.804) 19.050 6.899 ( -11.929 -11.264 1.087) 16.442 7.243 ( -12.942 15.104 -9.590) 22.082 7.736 ( -5.719 -7.915 -11.900) 15.393 8.189 ( 13.901 13.591 -1.798) 19.524 8.378 ( 14.597 -5.586 -11.588) 19.457 8.651 ( 1.075 1.486 7.845) 8.056 8.704 ( 6.424 1.950 17.259) 18.519 9.317 ( -8.691 -6.722 1.418) 11.078 9.717 ( 1.676 0.942 1.926) 2.721 10.070 ( 6.731 -12.186 2.961) 14.233 10.254 ( 2.348 10.957 10.655) 15.463 10.558 ( 3.474 2.948 -1.268) 4.729 10.776 ( 2.000 0.635 8.367) 8.626 11.173 ( 4.399 8.455 -5.802) 11.158 11.839 ( -0.961 -3.733 -4.104) 5.630 12.173 ( -3.576 2.958 1.157) 4.783 12.273 ( 1.566 -4.793 2.793) 5.765 12.527 ( -0.543 10.766 0.400) 10.787 12.620 ( -15.111 -2.975 -1.811) 15.507 12.944 ( -1.649 -8.690 2.070) 9.084 13.569 ( -2.118 -3.044 -6.231) 7.251 14.116 ( -9.913 7.454 7.100) 14.291 14.336 ( 3.013 -0.925 -5.552) 6.384 14.548 ( 6.015 3.136 5.442) 8.697 15.103 ( 4.586 6.162 -11.330) 13.688 15.300 ( 2.155 2.176 -1.514) 3.416 15.449 ( 0.751 -2.369 1.327) 2.817 15.498 ( 1.672 -1.033 3.434) 3.956 16.253 ( 2.352 3.582 -8.391) 9.422 16.960 ( 0.304 2.464 -15.246) 15.447 17.251 ( 0.844 4.312 -15.989) 16.582 17.913 ( -6.694 -16.076 7.343) 18.899 18.462 ( -0.246 -6.660 7.239) 9.840 18.735 ( 1.262 -6.910 10.117) 12.316 19.847 ( -3.444 14.175 3.864) 15.091 ======================= Grid point 191 (121/148) ======================= q-point: (-0.60 -0.23 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -5.799 -17.557 -9.097) 20.606 3.518 ( 3.812 -2.852 -18.025) 18.643 4.039 ( -6.343 5.040 -9.303) 12.336 4.327 ( -9.169 6.234 2.072) 11.279 5.033 ( -5.897 4.452 -6.759) 10.014 5.281 ( 32.134 2.667 -0.423) 32.247 5.921 ( -1.756 -17.562 2.587) 17.838 6.419 ( -12.502 -8.414 5.479) 16.035 7.068 ( -14.306 3.214 -6.856) 16.186 7.442 ( -5.530 -6.813 -26.997) 28.387 8.285 ( -10.633 -1.425 -12.055) 16.138 8.688 ( -6.687 2.594 31.578) 32.382 8.994 ( 18.163 16.840 -1.950) 24.845 9.044 ( 21.865 2.707 2.500) 22.174 9.278 ( 13.254 3.807 9.964) 17.013 9.782 ( 4.256 -3.728 -3.924) 6.885 9.948 ( 8.252 -13.791 1.812) 16.173 10.475 ( -0.731 11.319 4.319) 12.137 10.746 ( 10.218 1.150 -1.555) 10.399 10.849 ( 2.462 -0.222 6.309) 6.777 11.458 ( 5.002 8.633 -0.319) 9.983 11.744 ( -0.686 -3.357 -3.079) 4.607 12.120 ( -6.501 -2.666 -4.495) 8.341 12.136 ( -14.720 -4.943 -1.828) 15.635 12.237 ( -4.021 1.917 2.025) 4.893 12.468 ( -10.099 -7.134 0.664) 12.383 12.868 ( -7.700 8.527 1.797) 11.629 13.516 ( -0.582 -0.135 -2.371) 2.445 14.089 ( -0.408 3.775 4.926) 6.220 14.299 ( 0.980 -5.938 -2.187) 6.404 14.606 ( 0.906 -4.157 3.553) 5.543 15.244 ( 2.389 1.483 -11.090) 11.441 15.417 ( -3.319 5.701 -3.332) 7.390 15.505 ( -1.834 2.127 1.914) 3.399 15.547 ( 6.706 5.589 0.969) 8.783 16.180 ( -2.557 -12.520 -8.878) 15.560 17.049 ( 0.355 6.616 -10.892) 12.749 17.370 ( 3.730 -2.779 -17.818) 18.415 17.503 ( -8.671 -1.349 12.700) 15.437 18.202 ( -2.622 -12.858 -5.773) 14.336 18.836 ( 9.356 2.650 19.775) 22.036 19.965 ( -6.684 7.673 3.196) 10.666 ======================= Grid point 194 (122/148) ======================= q-point: ( 0.40 -0.23 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -12.432 0.000 -1.899) 12.576 3.432 ( -13.685 -0.000 -23.565) 27.251 3.894 ( -10.128 -0.000 -15.393) 18.426 4.246 ( -3.369 0.000 15.728) 16.085 4.877 ( -11.964 0.000 4.341) 12.727 5.652 ( -0.376 -0.000 -5.552) 5.564 5.905 ( 18.434 -0.000 -11.770) 21.871 6.160 ( -4.229 0.000 10.230) 11.070 6.888 ( -8.782 -0.000 -8.472) 12.202 7.306 ( 0.031 -0.000 -10.845) 10.845 7.966 ( -16.692 0.000 2.101) 16.824 8.541 ( -5.136 0.000 30.291) 30.724 9.486 ( 9.816 -0.000 -10.444) 14.333 9.524 ( 17.761 -0.000 5.455) 18.580 9.613 ( -3.939 -0.000 -4.947) 6.324 9.895 ( 8.173 -0.000 0.128) 8.174 10.014 ( 30.526 -0.000 -8.561) 31.704 10.685 ( 7.261 0.000 7.257) 10.266 10.694 ( -7.577 0.000 14.608) 16.456 11.142 ( 19.453 -0.000 -12.584) 23.168 11.471 ( -23.053 0.000 -3.897) 23.380 11.713 ( 6.391 0.000 2.405) 6.829 11.854 ( -13.299 0.000 -2.118) 13.467 11.858 ( -1.741 -0.000 -1.980) 2.637 12.198 ( -1.872 0.000 0.122) 1.876 12.224 ( -6.080 0.000 3.759) 7.148 12.730 ( -13.219 0.000 4.523) 13.972 13.536 ( 1.791 -0.000 -4.574) 4.912 14.216 ( 2.936 0.000 1.737) 3.411 14.222 ( 2.461 0.000 2.351) 3.403 14.519 ( -2.854 0.000 3.552) 4.556 15.231 ( -4.646 -0.000 -8.659) 9.827 15.445 ( -4.498 0.000 2.057) 4.946 15.508 ( 1.243 -0.000 -1.780) 2.171 15.655 ( -9.154 -0.000 -13.821) 16.577 15.935 ( 6.099 0.000 5.948) 8.519 17.108 ( -9.529 -0.000 -11.763) 15.138 17.256 ( 1.731 0.000 4.080) 4.432 17.529 ( 0.957 0.000 3.298) 3.434 18.012 ( 0.570 -0.000 -17.399) 17.408 19.105 ( 11.720 0.000 20.627) 23.724 19.881 ( -8.262 0.000 1.928) 8.484 ======================= Grid point 203 (123/148) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -0.000 33.621 0.000) 33.621 3.447 ( -0.000 37.376 0.000) 37.376 3.491 ( 0.000 -1.309 -0.000) 1.309 4.184 ( -0.000 9.043 0.000) 9.043 4.416 ( 0.000 -5.011 -0.000) 5.011 5.512 ( 0.000 -24.883 -0.000) 24.883 5.607 ( -0.000 55.469 0.000) 55.469 7.225 ( 0.000 -2.016 -0.000) 2.016 7.307 ( 0.000 -6.194 -0.000) 6.194 7.484 ( -0.000 6.225 0.000) 6.225 7.784 ( -0.000 3.494 0.000) 3.494 8.477 ( -0.000 0.091 0.000) 0.091 8.516 ( -0.000 32.061 0.000) 32.061 8.632 ( 0.000 -2.613 -0.000) 2.613 9.541 ( -0.000 14.148 0.000) 14.148 9.847 ( 0.000 -29.462 -0.000) 29.462 10.195 ( 0.000 -13.466 -0.000) 13.466 10.409 ( -0.000 2.064 0.000) 2.064 10.559 ( 0.000 -21.779 -0.000) 21.779 10.985 ( 0.000 -1.308 -0.000) 1.308 11.026 ( 0.000 -12.655 -0.000) 12.655 11.736 ( -0.000 10.632 0.000) 10.632 11.971 ( -0.000 4.753 0.000) 4.753 12.009 ( -0.000 5.793 0.000) 5.793 12.534 ( -0.000 0.582 0.000) 0.582 12.999 ( 0.000 -14.925 -0.000) 14.925 13.428 ( 0.000 -8.512 -0.000) 8.512 13.472 ( -0.000 24.593 0.000) 24.593 13.837 ( -0.000 0.120 0.000) 0.120 14.062 ( -0.000 8.625 0.000) 8.625 14.470 ( 0.000 -7.479 -0.000) 7.479 14.937 ( -0.000 4.075 0.000) 4.075 15.328 ( -0.000 0.986 0.000) 0.986 15.420 ( 0.000 -5.173 -0.000) 5.173 15.526 ( -0.000 3.607 0.000) 3.607 16.036 ( -0.000 4.136 0.000) 4.136 17.016 ( -0.000 3.897 0.000) 3.897 17.188 ( -0.000 7.129 0.000) 7.129 18.231 ( -0.000 1.501 0.000) 1.501 18.618 ( 0.000 -10.424 -0.000) 10.424 19.153 ( -0.000 18.166 0.000) 18.166 19.237 ( 0.000 -14.189 -0.000) 14.189 ======================= Grid point 204 (124/148) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -0.000 -0.000 -33.939) 33.939 2.330 ( -0.000 -0.000 -31.375) 31.375 3.534 ( -0.000 -0.000 -49.541) 49.541 3.932 ( -0.000 -0.000 -11.366) 11.366 4.353 ( -0.000 -0.000 -17.759) 17.759 4.544 ( 0.000 0.000 6.615) 6.615 5.971 ( -0.000 -0.000 -0.956) 0.956 6.607 ( -0.000 -0.000 -6.033) 6.033 7.118 ( 0.000 0.000 6.236) 6.236 7.166 ( -0.000 -0.000 -17.509) 17.509 7.856 ( -0.000 -0.000 -7.003) 7.003 8.383 ( 0.000 0.000 1.965) 1.965 8.438 ( -0.000 -0.000 -12.851) 12.851 8.666 ( 0.000 0.000 2.758) 2.758 9.388 ( -0.000 -0.000 -16.734) 16.734 9.786 ( -0.000 -0.000 -0.986) 0.986 10.559 ( 0.000 0.000 32.841) 32.841 10.844 ( 0.000 0.000 8.808) 8.808 11.238 ( 0.000 0.000 17.320) 17.320 11.269 ( 0.000 0.000 9.760) 9.760 11.287 ( 0.000 0.000 5.999) 5.999 11.613 ( -0.000 -0.000 -1.262) 1.262 11.984 ( -0.000 -0.000 -7.428) 7.428 12.095 ( -0.000 -0.000 -12.759) 12.759 12.322 ( 0.000 0.000 1.374) 1.374 12.552 ( -0.000 -0.000 -13.775) 13.775 13.092 ( 0.000 0.000 15.086) 15.086 13.693 ( -0.000 -0.000 -0.572) 0.572 14.057 ( -0.000 -0.000 -8.469) 8.469 14.447 ( 0.000 0.000 3.936) 3.936 14.754 ( -0.000 -0.000 -7.989) 7.989 14.757 ( 0.000 0.000 6.484) 6.484 15.039 ( -0.000 -0.000 -22.327) 22.327 15.282 ( 0.000 0.000 1.696) 1.696 15.559 ( -0.000 -0.000 -21.833) 21.833 15.691 ( 0.000 0.000 3.017) 3.017 16.261 ( -0.000 -0.000 -12.090) 12.090 17.095 ( 0.000 0.000 2.532) 2.532 18.005 ( 0.000 0.000 3.053) 3.053 18.020 ( -0.000 -0.000 -3.247) 3.247 19.041 ( 0.000 0.000 2.263) 2.263 20.529 ( 0.000 0.000 10.191) 10.191 ======================= Grid point 206 (125/148) ======================= q-point: ( 0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 8.814 26.931 0.000) 28.336 3.501 ( 2.884 0.617 0.000) 2.949 4.082 ( 0.148 18.782 -0.000) 18.782 4.253 ( -8.316 7.875 -0.000) 11.453 4.620 ( 24.237 -2.113 0.000) 24.329 4.991 ( -0.565 -21.611 0.000) 21.619 6.532 ( -0.489 27.195 -0.000) 27.199 7.028 ( -9.802 -6.943 -0.000) 12.012 7.049 ( -7.808 -3.622 -0.000) 8.607 7.869 ( 14.565 14.927 0.000) 20.855 7.920 ( 5.768 -1.539 0.000) 5.969 8.329 ( -10.716 0.346 -0.000) 10.721 8.644 ( 7.725 -1.964 0.000) 7.970 8.840 ( 3.573 -1.103 0.000) 3.739 9.499 ( -18.262 -11.884 -0.000) 21.788 9.626 ( 2.509 3.628 0.000) 4.411 10.060 ( 8.471 -4.156 0.000) 9.436 10.264 ( 12.000 -11.053 0.000) 16.314 10.422 ( -4.019 5.245 -0.000) 6.608 10.864 ( 8.562 -11.611 0.000) 14.426 11.075 ( 1.990 6.722 0.000) 7.011 11.920 ( -8.257 15.136 -0.000) 17.242 11.964 ( -3.513 -0.317 -0.000) 3.527 12.265 ( 8.311 9.558 0.000) 12.666 12.423 ( 0.844 -11.266 0.000) 11.298 12.639 ( -15.504 -2.053 -0.000) 15.639 13.226 ( -0.736 -13.821 0.000) 13.840 13.726 ( -6.296 -4.179 -0.000) 7.556 13.800 ( -8.004 15.586 -0.000) 17.521 14.297 ( 4.204 11.292 0.000) 12.049 14.492 ( 10.244 -5.417 0.000) 11.588 15.090 ( 4.629 6.627 0.000) 8.084 15.334 ( 0.136 -2.288 0.000) 2.292 15.410 ( 4.794 0.739 0.000) 4.850 15.545 ( 1.766 -4.710 0.000) 5.030 16.202 ( 4.421 7.586 0.000) 8.780 17.098 ( 0.495 3.974 -0.000) 4.005 17.295 ( -1.833 5.119 -0.000) 5.437 18.255 ( 0.946 1.330 0.000) 1.632 18.256 ( -9.069 -16.114 -0.000) 18.490 18.931 ( -1.375 -13.894 0.000) 13.962 19.493 ( -2.038 17.060 -0.000) 17.182 ======================= Grid point 207 (126/148) ======================= q-point: ( 0.25 -0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.601 ( 1.298 -0.634 0.000) 1.445 3.894 ( -0.145 15.280 -0.000) 15.281 3.911 ( -1.280 -22.876 0.000) 22.912 4.146 ( -16.573 6.312 -0.000) 17.734 4.904 ( -4.294 10.146 -0.000) 11.017 5.272 ( 37.979 -0.508 0.000) 37.983 6.366 ( 0.271 -23.883 0.000) 23.884 6.584 ( -12.327 -13.078 -0.000) 17.972 7.015 ( -15.308 10.329 -0.000) 18.467 7.968 ( 0.265 2.899 -0.000) 2.911 8.112 ( -10.748 -0.101 -0.000) 10.748 8.473 ( -7.558 6.150 -0.000) 9.743 8.791 ( -3.468 0.846 -0.000) 3.570 8.953 ( 17.145 4.622 0.000) 17.758 9.059 ( 19.531 0.350 0.000) 19.534 9.795 ( 9.017 2.725 0.000) 9.419 10.195 ( 6.710 -11.285 0.000) 13.129 10.298 ( 5.438 5.956 0.000) 8.065 10.565 ( -2.068 7.405 -0.000) 7.688 10.935 ( 16.951 -6.477 0.000) 18.146 11.278 ( 0.386 9.259 -0.000) 9.267 11.861 ( -3.635 -1.326 -0.000) 3.870 12.031 ( -7.408 12.354 -0.000) 14.405 12.168 ( -15.031 -1.873 -0.000) 15.147 12.319 ( -1.690 -9.027 0.000) 9.183 12.585 ( -0.735 10.863 -0.000) 10.888 12.783 ( -10.336 -18.000 -0.000) 20.757 13.560 ( -3.242 -1.001 -0.000) 3.393 13.897 ( -3.090 9.409 -0.000) 9.903 14.507 ( 6.144 -10.797 0.000) 12.423 14.572 ( 1.953 5.993 0.000) 6.304 15.301 ( -5.964 3.762 -0.000) 7.052 15.338 ( 5.907 5.229 0.000) 7.889 15.481 ( 2.572 -2.329 0.000) 3.470 15.503 ( 6.257 -4.150 0.000) 7.508 16.420 ( 4.654 0.251 0.000) 4.661 17.177 ( 0.275 2.327 -0.000) 2.343 17.254 ( -10.087 0.207 -0.000) 10.089 17.757 ( -7.010 -9.885 -0.000) 12.118 18.392 ( 6.965 5.272 0.000) 8.735 18.625 ( -1.257 -13.666 0.000) 13.723 19.727 ( -4.779 12.805 -0.000) 13.668 ======================= Grid point 210 (127/148) ======================= q-point: ( 0.25 -0.25 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( -13.630 -22.712 -0.000) 26.487 3.786 ( -26.382 2.289 -0.000) 26.481 3.894 ( 4.419 3.696 0.000) 5.761 4.020 ( -6.268 4.943 -0.000) 7.982 4.828 ( -14.837 -0.436 -0.000) 14.844 5.839 ( 12.078 -7.504 0.000) 14.219 6.115 ( -7.990 -9.461 -0.000) 12.384 6.123 ( 22.229 -10.941 0.000) 24.776 6.917 ( -5.838 4.625 -0.000) 7.448 7.602 ( -31.208 -10.705 -0.000) 32.993 7.998 ( -16.268 5.166 -0.000) 17.068 8.039 ( 5.012 2.122 0.000) 5.442 9.360 ( 10.546 8.145 0.000) 13.325 9.427 ( 7.808 20.241 0.000) 21.695 9.594 ( 25.315 -0.188 0.000) 25.315 9.977 ( 7.879 -5.862 0.000) 9.821 10.234 ( 16.878 -5.474 0.000) 17.744 10.517 ( 6.696 7.068 0.000) 9.737 10.534 ( -4.339 -1.643 -0.000) 4.639 11.289 ( 22.350 -0.437 0.000) 22.354 11.385 ( -12.132 9.380 -0.000) 15.335 11.739 ( -9.688 -8.609 -0.000) 12.960 11.812 ( -8.656 5.437 -0.000) 10.221 12.095 ( -5.166 -12.346 -0.000) 13.383 12.098 ( -5.171 6.867 -0.000) 8.596 12.285 ( -4.122 -8.162 -0.000) 9.144 12.607 ( -12.021 5.463 -0.000) 13.204 13.551 ( 0.714 2.341 0.000) 2.447 14.107 ( 5.484 7.561 0.000) 9.340 14.336 ( 0.801 -12.103 0.000) 12.129 14.557 ( -2.440 -4.960 -0.000) 5.528 15.268 ( -11.151 10.123 -0.000) 15.060 15.378 ( -0.972 -4.830 -0.000) 4.926 15.552 ( 3.389 2.785 0.000) 4.386 15.637 ( 4.693 3.115 0.000) 5.633 16.187 ( -5.426 -19.282 -0.000) 20.031 17.089 ( -11.869 9.463 -0.000) 15.179 17.198 ( -0.390 0.532 -0.000) 0.659 17.593 ( 1.572 -5.688 0.000) 5.901 18.383 ( 0.679 -8.206 0.000) 8.234 18.723 ( 11.495 6.422 0.000) 13.167 19.799 ( -6.750 6.296 -0.000) 9.231 ======================= Grid point 211 (128/148) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -22.390 0.000 -0.000) 22.390 3.179 ( -32.638 0.000 -0.000) 32.638 3.910 ( -7.897 0.000 -0.000) 7.897 3.943 ( -8.178 0.000 -0.000) 8.178 4.420 ( -17.210 0.000 -0.000) 17.210 5.910 ( -3.306 0.000 -0.000) 3.306 5.936 ( 12.018 -0.000 0.000) 12.018 6.440 ( 14.637 -0.000 0.000) 14.637 6.763 ( -36.711 0.000 -0.000) 36.711 6.864 ( -5.605 0.000 -0.000) 5.605 7.784 ( -11.807 0.000 -0.000) 11.807 8.347 ( 18.413 -0.000 0.000) 18.413 9.486 ( -19.715 0.000 -0.000) 19.715 9.650 ( 0.097 -0.000 0.000) 0.097 9.726 ( 0.940 -0.000 0.000) 0.940 10.243 ( 22.695 -0.000 0.000) 22.695 10.441 ( 4.601 -0.000 0.000) 4.601 10.795 ( 29.677 -0.000 0.000) 29.677 10.825 ( 15.123 -0.000 0.000) 15.123 10.919 ( -31.471 0.000 -0.000) 31.471 11.533 ( -8.847 0.000 -0.000) 8.847 11.739 ( 18.176 -0.000 0.000) 18.176 11.793 ( -1.655 0.000 -0.000) 1.655 11.845 ( -2.169 0.000 -0.000) 2.169 12.111 ( 1.086 -0.000 0.000) 1.086 12.184 ( 0.792 -0.000 0.000) 0.792 12.371 ( -14.541 0.000 -0.000) 14.541 13.634 ( 2.376 -0.000 0.000) 2.376 14.147 ( -3.586 0.000 -0.000) 3.586 14.323 ( 5.048 -0.000 0.000) 5.048 14.401 ( -4.516 0.000 -0.000) 4.516 15.135 ( -13.990 0.000 -0.000) 13.990 15.272 ( -3.177 0.000 -0.000) 3.177 15.552 ( -12.250 0.000 -0.000) 12.250 15.639 ( 2.926 -0.000 0.000) 2.926 15.993 ( 6.315 -0.000 0.000) 6.315 16.923 ( -14.448 0.000 -0.000) 14.448 17.201 ( 0.154 -0.000 0.000) 0.154 17.608 ( 6.095 -0.000 0.000) 6.095 18.336 ( 1.561 -0.000 0.000) 1.561 19.016 ( 8.188 -0.000 0.000) 8.188 19.727 ( -5.051 0.000 -0.000) 5.051 ======================= Grid point 212 (129/148) ======================= q-point: (-0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.760 ( -3.630 -6.461 -0.000) 7.411 3.760 ( 3.630 6.461 0.000) 7.411 3.889 ( -0.252 -5.317 0.000) 5.323 3.889 ( 0.252 5.317 0.000) 5.323 5.277 ( -0.504 -29.433 0.000) 29.438 5.277 ( 0.504 29.433 0.000) 29.438 6.266 ( -1.978 -19.302 0.000) 19.403 6.266 ( 1.978 19.302 0.000) 19.403 7.748 ( -3.262 -6.077 0.000) 6.897 7.748 ( 3.262 6.077 0.000) 6.897 8.315 ( -4.371 -1.053 -0.000) 4.497 8.315 ( 4.371 1.053 0.000) 4.497 8.729 ( -7.085 -11.413 -0.000) 13.434 8.729 ( 7.085 11.413 -0.000) 13.434 9.651 ( -0.108 -4.707 0.000) 4.708 9.651 ( 0.108 4.707 0.000) 4.708 10.283 ( -4.926 -5.004 0.000) 7.022 10.283 ( 4.926 5.004 0.000) 7.022 10.922 ( -8.020 -3.797 0.000) 8.874 10.922 ( 8.020 3.797 0.000) 8.874 11.085 ( -7.107 -3.907 0.000) 8.110 11.085 ( 7.107 3.907 0.000) 8.110 12.098 ( -2.341 -14.047 0.000) 14.241 12.098 ( 2.341 14.047 0.000) 14.241 12.566 ( -5.726 -1.066 0.000) 5.824 12.566 ( 5.726 1.066 0.000) 5.824 13.610 ( -0.077 -22.322 -0.000) 22.322 13.610 ( 0.077 22.322 -0.000) 22.322 13.820 ( -4.065 -10.369 0.000) 11.138 13.820 ( 4.065 10.369 0.000) 11.138 14.924 ( -11.896 -0.686 0.000) 11.916 14.924 ( 11.896 0.686 0.000) 11.916 15.373 ( -3.393 -6.985 0.000) 7.765 15.373 ( 3.393 6.985 0.000) 7.765 16.000 ( -1.236 -0.887 0.000) 1.521 16.000 ( 1.236 0.887 0.000) 1.521 16.716 ( -5.831 -6.073 0.000) 8.420 16.716 ( 5.831 6.073 0.000) 8.420 18.521 ( -0.024 -20.352 0.000) 20.352 18.521 ( 0.024 20.352 0.000) 20.352 19.128 ( -0.158 -11.834 0.000) 11.835 19.128 ( 0.158 11.834 0.000) 11.835 ======================= Grid point 223 (130/148) ======================= q-point: (-0.40 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -0.000 -1.728 -26.976) 27.031 3.017 ( -0.000 -15.914 -23.321) 28.234 4.058 ( -0.000 8.055 -8.124) 11.440 4.255 ( -0.000 4.867 -24.013) 24.501 4.388 ( 0.000 1.839 6.797) 7.041 4.820 ( -0.000 -3.465 -22.934) 23.195 6.090 ( 0.000 -13.548 2.653) 13.805 6.795 ( -0.000 3.387 -16.902) 17.238 7.197 ( 0.000 -9.990 -3.511) 10.589 7.594 ( -0.000 -5.664 -19.309) 20.123 7.876 ( -0.000 2.725 1.282) 3.012 8.268 ( -0.000 7.441 -2.120) 7.737 8.533 ( 0.000 1.122 2.248) 2.512 8.925 ( -0.000 -10.969 -13.047) 17.045 9.409 ( 0.000 4.126 19.379) 19.813 9.878 ( 0.000 -3.985 -3.120) 5.061 9.911 ( 0.000 2.724 20.187) 20.370 10.631 ( 0.000 -0.844 11.170) 11.202 10.790 ( 0.000 10.083 16.877) 19.659 11.050 ( 0.000 6.329 7.191) 9.580 11.144 ( -0.000 7.559 -3.464) 8.315 11.692 ( 0.000 -4.416 -1.910) 4.812 12.129 ( -0.000 -1.190 -5.894) 6.013 12.289 ( 0.000 -1.116 3.798) 3.958 12.449 ( -0.000 -9.309 -12.147) 15.304 12.708 ( -0.000 6.358 -1.851) 6.622 12.969 ( 0.000 -6.449 2.512) 6.921 13.529 ( -0.000 8.316 0.989) 8.375 14.208 ( -0.000 1.371 -8.274) 8.387 14.479 ( 0.000 -11.127 9.834) 14.850 14.578 ( 0.000 4.785 6.960) 8.446 14.930 ( -0.000 5.549 -14.802) 15.808 15.253 ( 0.000 -0.472 1.566) 1.636 15.370 ( -0.000 5.540 -15.359) 16.327 15.589 ( 0.000 2.186 4.704) 5.187 15.997 ( -0.000 -3.858 -16.281) 16.732 16.605 ( -0.000 -0.188 -22.173) 22.174 17.044 ( -0.000 2.409 -3.506) 4.254 17.932 ( 0.000 -6.640 8.560) 10.833 18.255 ( 0.000 -13.003 -2.094) 13.171 18.913 ( 0.000 0.376 10.558) 10.565 20.246 ( 0.000 8.869 8.347) 12.179 ======================= Grid point 224 (131/148) ======================= q-point: (-0.40 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -0.427 -0.000 -18.697) 18.702 2.894 ( 6.587 -0.000 -28.817) 29.560 4.033 ( -9.197 -0.000 -12.833) 15.788 4.321 ( 1.170 -0.000 -21.452) 21.484 4.717 ( 24.053 -0.000 0.613) 24.061 4.774 ( 4.075 -0.000 -16.327) 16.828 5.938 ( -2.978 0.000 2.640) 3.979 6.785 ( -16.957 0.000 5.877) 17.946 6.868 ( -2.674 -0.000 -23.955) 24.104 7.270 ( -17.278 -0.000 -14.007) 22.242 8.069 ( 7.338 -0.000 -3.480) 8.121 8.596 ( 19.656 -0.000 -0.450) 19.661 8.825 ( 7.085 -0.000 -17.829) 19.185 8.828 ( 20.700 -0.000 3.709) 21.030 9.485 ( 3.083 0.000 17.340) 17.612 9.817 ( -2.355 -0.000 -2.938) 3.765 9.884 ( -5.319 0.000 22.581) 23.199 10.592 ( -1.056 0.000 10.289) 10.343 10.879 ( -1.842 0.000 15.745) 15.852 11.070 ( -2.660 0.000 5.537) 6.143 11.351 ( 8.642 -0.000 -0.912) 8.690 11.655 ( 1.546 -0.000 -1.122) 1.910 12.118 ( -1.358 -0.000 -5.767) 5.925 12.189 ( -10.315 -0.000 -7.373) 12.679 12.294 ( -2.029 -0.000 -1.838) 2.738 12.748 ( -7.559 0.000 10.926) 13.286 12.870 ( 2.000 -0.000 -13.834) 13.978 13.622 ( -4.791 0.000 2.843) 5.571 14.199 ( -1.205 -0.000 -6.228) 6.344 14.238 ( -3.899 0.000 6.717) 7.767 14.637 ( 0.700 0.000 6.052) 6.093 14.975 ( 1.834 -0.000 -11.604) 11.748 15.382 ( 8.905 0.000 2.846) 9.349 15.486 ( -2.055 -0.000 -24.189) 24.276 15.592 ( -1.265 0.000 4.648) 4.817 15.891 ( -1.605 -0.000 -9.759) 9.890 16.657 ( 4.717 -0.000 -24.458) 24.908 17.099 ( 3.027 -0.000 0.035) 3.027 17.847 ( -3.792 0.000 8.925) 9.697 18.039 ( -4.737 -0.000 -3.779) 6.059 18.986 ( 6.360 0.000 10.724) 12.468 20.285 ( -4.961 0.000 8.150) 9.541 ======================= Grid point 239 (132/148) ======================= q-point: (-0.54 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -0.000 0.814 -16.516) 16.536 3.813 ( 0.000 -21.607 -17.089) 27.549 3.839 ( -0.000 18.756 2.712) 18.951 4.293 ( 0.000 -0.536 0.913) 1.059 4.423 ( -0.000 12.281 -13.158) 17.999 5.015 ( -0.000 8.482 -2.841) 8.945 6.427 ( 0.000 -19.863 -0.665) 19.874 7.060 ( 0.000 -7.577 -3.014) 8.155 7.391 ( -0.000 17.950 -13.338) 22.363 7.796 ( -0.000 5.109 -2.349) 5.623 8.053 ( -0.000 8.540 6.843) 10.943 8.172 ( -0.000 -15.888 -17.563) 23.683 8.514 ( 0.000 -2.773 1.616) 3.209 8.746 ( 0.000 2.511 24.442) 24.571 9.424 ( -0.000 -7.517 -18.110) 19.608 9.708 ( 0.000 -6.499 8.266) 10.515 9.985 ( 0.000 -6.082 5.619) 8.281 10.221 ( 0.000 13.234 16.016) 20.776 10.517 ( 0.000 -0.301 1.051) 1.094 10.767 ( 0.000 3.777 8.835) 9.609 11.124 ( -0.000 7.839 -7.702) 10.990 11.846 ( 0.000 -5.026 -3.689) 6.234 12.210 ( -0.000 0.169 -0.093) 0.193 12.254 ( 0.000 -3.679 2.928) 4.703 12.513 ( -0.000 15.924 0.273) 15.926 12.880 ( 0.000 -12.342 -8.764) 15.137 12.882 ( 0.000 -0.475 9.144) 9.157 13.589 ( -0.000 -5.137 -7.548) 9.131 14.265 ( -0.000 8.928 1.731) 9.094 14.340 ( -0.000 3.856 -1.113) 4.014 14.418 ( 0.000 0.645 7.556) 7.584 15.050 ( -0.000 7.639 -11.257) 13.604 15.255 ( 0.000 -2.163 0.497) 2.219 15.452 ( 0.000 2.573 3.796) 4.585 15.484 ( 0.000 -1.973 -1.545) 2.506 16.227 ( -0.000 5.007 -7.633) 9.129 16.956 ( -0.000 2.230 -15.951) 16.106 17.242 ( -0.000 3.266 -16.817) 17.131 17.982 ( 0.000 -15.786 6.885) 17.222 18.465 ( 0.000 -6.151 9.520) 11.335 18.725 ( 0.000 -9.287 8.057) 12.295 19.884 ( -0.000 14.466 4.358) 15.109 ======================= Grid point 240 (133/148) ======================= q-point: (-0.54 -0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -1.381 -12.354 -13.438) 18.306 3.384 ( 6.382 -8.473 -13.419) 17.106 4.140 ( -2.991 9.521 -5.345) 11.321 4.440 ( 5.300 4.140 -3.620) 7.638 4.694 ( 12.432 7.712 -5.695) 15.699 5.154 ( -3.814 3.963 -12.483) 13.641 5.974 ( -2.212 -16.950 6.231) 18.194 6.746 ( -17.007 -4.972 0.950) 17.744 7.406 ( -15.193 2.575 -13.523) 20.502 7.563 ( -7.986 -7.379 -21.024) 23.669 8.269 ( 11.751 -2.103 -16.269) 20.179 8.514 ( 19.417 12.983 -1.811) 23.428 8.658 ( 14.777 1.987 2.023) 15.046 8.821 ( -0.686 5.824 34.830) 35.320 9.187 ( -3.993 -5.709 0.851) 7.019 9.644 ( 7.940 -6.827 6.566) 12.360 9.879 ( 0.281 -5.556 3.612) 6.633 10.470 ( 2.298 2.733 4.785) 5.970 10.541 ( 4.801 3.950 6.942) 9.319 10.900 ( -3.496 7.368 4.972) 9.551 11.331 ( 6.004 6.473 -4.364) 9.849 11.733 ( 0.979 -5.355 -1.271) 5.590 12.201 ( -1.949 -0.031 -1.632) 2.543 12.225 ( -0.623 0.345 0.463) 0.849 12.495 ( -12.774 -5.626 -4.897) 14.791 12.641 ( -5.436 -3.528 -0.430) 6.495 12.980 ( -3.011 10.664 -1.321) 11.159 13.522 ( 0.145 -0.547 -1.086) 1.224 14.173 ( -7.027 -2.656 6.725) 10.082 14.318 ( -2.568 -0.504 -4.768) 5.440 14.546 ( 4.704 -1.744 4.718) 6.887 15.173 ( 2.772 1.592 -9.419) 9.947 15.346 ( 8.208 -0.395 2.140) 8.492 15.492 ( -0.665 2.477 2.344) 3.475 15.575 ( -3.334 13.989 -6.428) 15.752 16.217 ( -1.008 -8.299 -9.005) 12.288 17.026 ( 1.214 4.912 -13.194) 14.131 17.302 ( 2.519 -1.360 -21.574) 21.764 17.657 ( -5.471 -6.708 12.619) 15.302 18.259 ( -2.325 -11.131 -1.836) 11.519 18.681 ( 5.203 -0.258 18.551) 19.269 20.076 ( -3.877 8.189 4.229) 9.999 ======================= Grid point 243 (134/148) ======================= q-point: (-0.54 -0.29 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -6.489 -0.000 -5.783) 8.692 3.512 ( 4.581 -0.000 -21.797) 22.273 4.092 ( -8.706 -0.000 -11.813) 14.674 4.403 ( -11.005 0.000 2.676) 11.326 5.057 ( -5.301 -0.000 -10.352) 11.630 5.321 ( 33.776 -0.000 -0.277) 33.777 5.727 ( -5.423 0.000 5.935) 8.039 6.335 ( -13.518 0.000 6.199) 14.871 7.096 ( -13.444 -0.000 -7.151) 15.228 7.370 ( -5.021 -0.000 -28.941) 29.374 8.275 ( -8.973 -0.000 -12.465) 15.359 8.706 ( -9.721 0.000 35.088) 36.409 9.061 ( 24.155 -0.000 2.348) 24.269 9.221 ( 11.471 0.000 5.523) 12.731 9.364 ( 31.687 -0.000 -2.621) 31.795 9.650 ( 2.508 0.000 1.707) 3.034 9.815 ( 0.178 -0.000 -1.481) 1.492 10.623 ( 0.386 0.000 8.189) 8.198 10.723 ( 16.438 -0.000 -4.900) 17.153 10.862 ( -5.316 0.000 7.639) 9.307 11.564 ( 7.869 -0.000 0.049) 7.869 11.697 ( -0.526 -0.000 -0.830) 0.983 12.039 ( -13.591 0.000 -3.985) 14.163 12.115 ( -9.324 -0.000 -5.845) 11.005 12.263 ( -4.979 -0.000 -2.159) 5.427 12.394 ( -10.413 0.000 5.932) 11.984 12.974 ( -9.709 0.000 -1.089) 9.769 13.515 ( -0.050 -0.000 -1.464) 1.465 14.120 ( 3.122 0.000 3.902) 4.998 14.237 ( -2.026 -0.000 -1.329) 2.423 14.550 ( -0.126 0.000 3.797) 3.799 15.259 ( 2.075 -0.000 -10.988) 11.182 15.438 ( 2.071 0.000 1.582) 2.606 15.518 ( 1.294 0.000 2.710) 3.003 15.819 ( -6.452 -0.000 -17.189) 18.360 15.886 ( -1.789 0.000 4.103) 4.476 17.193 ( 3.524 -0.000 -0.744) 3.602 17.223 ( -1.675 -0.000 -21.906) 21.970 17.562 ( -3.268 0.000 9.555) 10.099 18.043 ( -3.379 -0.000 -10.522) 11.051 18.865 ( 10.850 0.000 20.416) 23.120 20.044 ( -7.069 0.000 3.451) 7.867 ======================= Grid point 255 (135/148) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( -0.000 29.735 0.000) 29.735 3.465 ( 0.000 -1.102 -0.000) 1.102 4.080 ( -0.000 21.270 0.000) 21.270 4.332 ( 0.000 -3.215 -0.000) 3.215 4.380 ( -0.000 10.430 0.000) 10.430 4.999 ( 0.000 -21.508 -0.000) 21.508 6.537 ( -0.000 29.703 0.000) 29.703 7.140 ( 0.000 -2.988 -0.000) 2.988 7.170 ( 0.000 -3.488 -0.000) 3.488 7.677 ( -0.000 12.537 0.000) 12.537 7.836 ( -0.000 1.415 0.000) 1.415 8.443 ( 0.000 -3.348 -0.000) 3.348 8.567 ( 0.000 -3.674 -0.000) 3.674 8.805 ( 0.000 -9.336 -0.000) 9.336 9.625 ( -0.000 14.095 0.000) 14.095 9.756 ( -0.000 5.688 0.000) 5.688 9.951 ( 0.000 -10.418 -0.000) 10.418 10.067 ( 0.000 -25.737 -0.000) 25.737 10.468 ( -0.000 5.559 0.000) 5.559 10.770 ( 0.000 -12.562 -0.000) 12.562 11.053 ( -0.000 6.673 0.000) 6.673 11.996 ( 0.000 -2.556 -0.000) 2.556 12.061 ( -0.000 20.892 0.000) 20.892 12.121 ( -0.000 5.170 0.000) 5.170 12.404 ( 0.000 -11.026 -0.000) 11.026 12.833 ( 0.000 -3.197 -0.000) 3.197 13.226 ( 0.000 -11.646 -0.000) 11.646 13.801 ( 0.000 -4.118 -0.000) 4.118 13.910 ( -0.000 18.831 0.000) 18.831 14.230 ( -0.000 7.696 0.000) 7.696 14.370 ( 0.000 -2.171 -0.000) 2.171 15.037 ( -0.000 5.822 0.000) 5.822 15.324 ( 0.000 -4.320 -0.000) 4.320 15.360 ( -0.000 2.178 0.000) 2.178 15.530 ( 0.000 -2.413 -0.000) 2.413 16.155 ( -0.000 7.476 0.000) 7.476 17.092 ( -0.000 3.726 0.000) 3.726 17.313 ( -0.000 5.271 0.000) 5.271 18.245 ( 0.000 -0.164 -0.000) 0.164 18.353 ( 0.000 -15.923 -0.000) 15.923 18.948 ( 0.000 -14.411 -0.000) 14.411 19.515 ( -0.000 17.632 0.000) 17.632 ======================= Grid point 256 (136/148) ======================= q-point: ( 0.31 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 5.123 0.550 0.000) 5.152 3.853 ( 3.916 20.815 -0.000) 21.180 3.951 ( -1.818 -26.462 0.000) 26.524 4.401 ( -2.575 5.868 -0.000) 6.408 4.623 ( 16.428 3.451 0.000) 16.787 4.979 ( -2.663 16.049 -0.000) 16.268 6.400 ( -2.499 -24.411 0.000) 24.539 6.881 ( -15.122 -7.729 -0.000) 16.982 7.345 ( -15.480 16.575 -0.000) 22.679 7.933 ( 4.187 5.069 0.000) 6.574 8.189 ( 15.166 14.846 0.000) 21.223 8.300 ( -2.823 -1.492 -0.000) 3.193 8.573 ( 13.012 -3.029 0.000) 13.360 8.731 ( 14.646 -6.075 0.000) 15.856 9.212 ( -23.480 -14.011 -0.000) 27.343 9.740 ( -1.950 2.052 -0.000) 2.831 9.999 ( 12.316 -13.964 0.000) 18.619 10.158 ( 7.457 13.090 0.000) 15.065 10.624 ( -2.950 11.974 -0.000) 12.332 10.644 ( 10.337 -9.806 0.000) 14.248 11.236 ( 2.491 8.336 0.000) 8.700 11.885 ( -0.005 -6.662 0.000) 6.662 12.160 ( -4.727 7.556 -0.000) 8.913 12.239 ( 1.346 -6.077 0.000) 6.224 12.561 ( 2.200 19.932 -0.000) 20.053 12.591 ( -15.406 -3.031 -0.000) 15.701 12.939 ( -4.228 -14.377 -0.000) 14.985 13.641 ( -3.614 -4.682 -0.000) 5.915 14.039 ( -9.853 8.097 -0.000) 12.754 14.403 ( 3.230 -3.119 0.000) 4.490 14.478 ( 7.063 5.153 0.000) 8.743 15.220 ( 5.160 5.968 0.000) 7.889 15.303 ( 4.275 -0.750 0.000) 4.341 15.432 ( 1.933 1.370 0.000) 2.369 15.471 ( -2.422 -0.084 -0.000) 2.424 16.334 ( 3.230 4.379 0.000) 5.442 17.167 ( 0.550 2.774 0.000) 2.828 17.374 ( -2.688 2.635 -0.000) 3.764 17.922 ( -7.227 -16.020 -0.000) 17.574 18.274 ( 4.165 0.602 0.000) 4.208 18.653 ( -1.222 -13.540 0.000) 13.595 19.809 ( -2.979 14.028 -0.000) 14.341 ======================= Grid point 259 (137/148) ======================= q-point: ( 0.31 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -7.557 -21.692 -0.000) 22.971 3.735 ( 9.817 1.099 0.000) 9.878 4.130 ( -4.301 8.084 -0.000) 9.157 4.281 ( -20.824 6.305 -0.000) 21.758 5.113 ( -11.849 7.867 -0.000) 14.223 5.282 ( 36.402 1.643 0.000) 36.439 5.886 ( 2.471 -21.089 0.000) 21.233 6.358 ( -15.682 -8.548 -0.000) 17.861 7.135 ( -14.745 2.806 -0.000) 15.010 8.025 ( -11.188 -6.216 -0.000) 12.799 8.035 ( -2.873 2.461 -0.000) 3.783 8.466 ( -26.681 -0.559 -0.000) 26.687 9.016 ( 22.531 2.007 0.000) 22.620 9.071 ( 23.288 0.878 0.000) 23.305 9.084 ( 22.881 19.801 0.000) 30.260 9.838 ( 5.110 0.953 0.000) 5.198 9.920 ( 11.697 -15.830 0.000) 19.682 10.445 ( 1.903 7.607 0.000) 7.841 10.701 ( -8.441 5.547 -0.000) 10.101 10.837 ( 20.475 -3.519 0.000) 20.775 11.456 ( 2.163 7.903 0.000) 8.194 11.773 ( 0.953 -5.478 0.000) 5.560 12.157 ( -8.249 -7.021 -0.000) 10.833 12.192 ( -12.758 3.563 -0.000) 13.246 12.196 ( -4.032 4.472 -0.000) 6.021 12.473 ( -12.189 -12.296 -0.000) 17.313 12.835 ( -9.444 11.995 -0.000) 15.266 13.545 ( -0.010 -0.658 0.000) 0.658 14.037 ( 0.484 4.454 -0.000) 4.480 14.323 ( -0.287 -6.887 0.000) 6.893 14.568 ( 1.453 -4.180 0.000) 4.425 15.380 ( 1.188 -0.432 0.000) 1.265 15.435 ( 2.495 -0.666 0.000) 2.582 15.488 ( 2.585 2.243 0.000) 3.423 15.515 ( -1.715 14.742 -0.000) 14.842 16.285 ( -3.088 -13.656 -0.000) 14.001 17.204 ( -0.181 0.575 -0.000) 0.603 17.298 ( -7.943 5.404 -0.000) 9.608 17.604 ( -2.368 -6.659 -0.000) 7.068 18.383 ( -0.821 -9.508 0.000) 9.544 18.480 ( 11.365 3.287 0.000) 11.831 19.934 ( -6.040 7.450 -0.000) 9.591 ======================= Grid point 261 (138/148) ======================= q-point: ( 0.31 -0.31 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -14.608 0.000 -0.000) 14.608 3.812 ( -28.724 0.000 -0.000) 28.724 3.944 ( 6.174 -0.000 0.000) 6.174 4.071 ( -7.566 0.000 -0.000) 7.566 4.810 ( -19.889 0.000 -0.000) 19.889 5.741 ( 7.014 -0.000 0.000) 7.014 6.024 ( -8.150 0.000 -0.000) 8.150 6.025 ( 28.006 -0.000 0.000) 28.006 6.963 ( -5.721 0.000 -0.000) 5.721 7.494 ( -31.592 0.000 -0.000) 31.592 8.051 ( -15.016 0.000 -0.000) 15.016 8.061 ( 6.529 -0.000 0.000) 6.529 9.470 ( 16.984 -0.000 0.000) 16.984 9.565 ( 18.667 -0.000 0.000) 18.667 9.695 ( -1.230 0.000 -0.000) 1.230 9.913 ( 6.167 -0.000 0.000) 6.167 10.114 ( 34.465 -0.000 0.000) 34.465 10.522 ( -10.830 0.000 -0.000) 10.830 10.599 ( 6.128 -0.000 0.000) 6.128 11.284 ( 24.020 -0.000 0.000) 24.020 11.510 ( -22.148 0.000 -0.000) 22.148 11.625 ( 0.913 -0.000 0.000) 0.913 11.881 ( -3.055 0.000 -0.000) 3.055 11.950 ( -14.319 0.000 -0.000) 14.319 12.160 ( -3.871 0.000 -0.000) 3.871 12.199 ( -2.374 0.000 -0.000) 2.374 12.676 ( -14.835 0.000 -0.000) 14.835 13.586 ( 2.328 -0.000 0.000) 2.328 14.196 ( 6.602 -0.000 0.000) 6.602 14.200 ( -1.874 0.000 -0.000) 1.874 14.481 ( -2.883 0.000 -0.000) 2.883 15.329 ( -2.489 0.000 -0.000) 2.489 15.393 ( -9.306 0.000 -0.000) 9.306 15.581 ( 2.885 -0.000 0.000) 2.885 15.804 ( -11.504 0.000 -0.000) 11.504 15.835 ( 7.023 -0.000 0.000) 7.023 17.203 ( -0.219 0.000 -0.000) 0.219 17.225 ( -13.708 0.000 -0.000) 13.708 17.498 ( 4.181 -0.000 0.000) 4.181 18.299 ( 1.646 -0.000 0.000) 1.646 18.789 ( 12.921 -0.000 0.000) 12.921 19.864 ( -7.441 0.000 -0.000) 7.441 ======================= Grid point 273 (139/148) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -0.000 -0.000 -28.047) 28.047 2.833 ( -0.000 -0.000 -20.238) 20.238 4.140 ( -0.000 -0.000 -9.716) 9.716 4.356 ( -0.000 -0.000 -34.936) 34.936 4.408 ( 0.000 0.000 7.283) 7.283 4.723 ( -0.000 -0.000 -20.512) 20.512 5.964 ( 0.000 0.000 2.546) 2.546 6.898 ( -0.000 -0.000 -23.860) 23.860 7.005 ( 0.000 0.000 5.036) 5.036 7.550 ( -0.000 -0.000 -21.570) 21.570 7.893 ( 0.000 0.000 2.937) 2.937 8.362 ( 0.000 0.000 0.176) 0.176 8.599 ( 0.000 0.000 3.992) 3.992 8.751 ( -0.000 -0.000 -19.569) 19.569 9.447 ( 0.000 0.000 14.593) 14.593 9.837 ( -0.000 -0.000 -3.220) 3.220 9.944 ( 0.000 0.000 27.697) 27.697 10.616 ( 0.000 0.000 13.819) 13.819 10.899 ( 0.000 0.000 16.596) 16.596 11.127 ( 0.000 0.000 5.187) 5.187 11.226 ( -0.000 -0.000 -1.204) 1.204 11.637 ( -0.000 -0.000 -1.142) 1.142 12.130 ( -0.000 -0.000 -7.215) 7.215 12.281 ( 0.000 0.000 2.540) 2.540 12.340 ( -0.000 -0.000 -12.017) 12.017 12.822 ( 0.000 0.000 11.794) 11.794 12.839 ( -0.000 -0.000 -15.260) 15.260 13.677 ( 0.000 0.000 2.676) 2.676 14.223 ( -0.000 -0.000 -8.586) 8.586 14.293 ( 0.000 0.000 9.981) 9.981 14.626 ( 0.000 0.000 6.740) 6.740 14.970 ( -0.000 -0.000 -12.438) 12.438 15.248 ( 0.000 0.000 1.847) 1.847 15.508 ( -0.000 -0.000 -25.088) 25.088 15.613 ( 0.000 0.000 4.835) 4.835 15.910 ( -0.000 -0.000 -10.889) 10.889 16.604 ( -0.000 -0.000 -25.504) 25.504 17.068 ( 0.000 0.000 0.019) 0.019 17.888 ( 0.000 0.000 9.110) 9.110 18.090 ( -0.000 -0.000 -3.849) 3.849 18.919 ( 0.000 0.000 10.973) 10.973 20.338 ( 0.000 0.000 8.940) 8.940 ======================= Grid point 290 (140/148) ======================= q-point: (-0.48 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -0.000 -0.212 -17.540) 17.541 3.339 ( 0.000 -20.857 -10.303) 23.263 4.151 ( -0.000 11.305 -0.027) 11.305 4.293 ( 0.000 0.247 1.426) 1.447 4.666 ( -0.000 13.089 -17.824) 22.113 5.196 ( -0.000 3.541 -14.838) 15.255 5.998 ( 0.000 -17.380 6.511) 18.559 6.966 ( 0.000 -2.762 -1.751) 3.270 7.532 ( -0.000 -2.250 -28.581) 28.670 7.819 ( 0.000 -1.228 3.598) 3.802 7.993 ( -0.000 -2.441 -20.796) 20.939 8.267 ( -0.000 10.339 0.685) 10.362 8.491 ( 0.000 0.629 1.958) 2.056 8.834 ( 0.000 5.288 33.940) 34.349 9.261 ( -0.000 -8.137 -19.742) 21.353 9.541 ( 0.000 -6.635 20.358) 21.412 9.880 ( 0.000 -3.823 5.045) 6.329 10.428 ( 0.000 -4.963 7.767) 9.218 10.513 ( 0.000 11.722 10.595) 15.801 10.945 ( -0.000 9.488 3.760) 10.206 11.258 ( -0.000 4.985 -6.400) 8.113 11.721 ( 0.000 -5.924 -1.035) 6.014 12.218 ( 0.000 0.546 3.073) 3.121 12.230 ( -0.000 1.314 -4.046) 4.254 12.646 ( 0.000 -9.876 -7.701) 12.524 12.687 ( 0.000 -0.460 1.244) 1.326 13.004 ( -0.000 11.538 -2.549) 11.817 13.518 ( -0.000 0.117 -0.427) 0.443 14.296 ( 0.000 -11.773 8.239) 14.370 14.353 ( -0.000 2.238 -6.150) 6.544 14.460 ( 0.000 5.147 4.798) 7.036 15.165 ( -0.000 3.078 -9.102) 9.609 15.221 ( 0.000 -1.142 1.614) 1.977 15.500 ( 0.000 1.979 3.899) 4.373 15.612 ( -0.000 14.690 -7.959) 16.708 16.226 ( -0.000 -6.532 -8.558) 10.766 17.012 ( -0.000 4.340 -14.520) 15.155 17.275 ( -0.000 -1.645 -22.373) 22.433 17.714 ( 0.000 -8.180 12.492) 14.932 18.284 ( 0.000 -10.173 0.127) 10.174 18.628 ( 0.000 -1.624 17.386) 17.461 20.117 ( -0.000 8.319 4.615) 9.513 ======================= Grid point 293 (141/148) ======================= q-point: (-0.48 -0.35 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -2.651 -0.000 -8.154) 8.574 3.358 ( 7.895 -0.000 -18.112) 19.757 4.238 ( -5.069 -0.000 -7.556) 9.099 4.480 ( 12.413 -0.000 0.692) 12.432 4.831 ( 2.980 -0.000 -8.811) 9.301 5.121 ( -1.611 -0.000 -19.186) 19.253 5.814 ( -2.605 0.000 10.511) 10.829 6.693 ( -18.770 0.000 3.210) 19.043 7.415 ( -11.422 -0.000 -21.636) 24.466 7.490 ( -11.147 -0.000 -17.079) 20.395 8.246 ( 10.928 -0.000 -16.580) 19.858 8.615 ( 18.089 -0.000 -1.157) 18.126 8.765 ( 23.774 -0.000 2.552) 23.910 8.868 ( -3.971 0.000 35.844) 36.063 9.113 ( -1.532 -0.000 -3.188) 3.537 9.550 ( 5.802 0.000 11.237) 12.646 9.831 ( -0.914 0.000 2.910) 3.050 10.452 ( 8.246 0.000 3.891) 9.117 10.629 ( -0.499 0.000 9.467) 9.481 10.983 ( -5.400 0.000 3.492) 6.431 11.402 ( 7.258 -0.000 -3.184) 7.926 11.672 ( 1.536 -0.000 -0.638) 1.663 12.208 ( -3.222 0.000 1.274) 3.464 12.225 ( -2.432 -0.000 -4.927) 5.495 12.430 ( -9.116 -0.000 -7.582) 11.857 12.591 ( -7.002 0.000 5.198) 8.720 13.103 ( -2.825 -0.000 -9.774) 10.174 13.547 ( -2.662 0.000 4.494) 5.224 14.096 ( -0.429 0.000 6.508) 6.522 14.314 ( -4.773 -0.000 -4.802) 6.770 14.532 ( 1.478 0.000 4.325) 4.571 15.188 ( 2.883 -0.000 -8.919) 9.373 15.340 ( 7.257 -0.000 1.024) 7.329 15.508 ( -0.862 0.000 3.452) 3.558 15.916 ( -3.012 -0.000 -18.214) 18.461 15.952 ( -3.117 0.000 1.439) 3.433 17.133 ( 2.053 -0.000 -3.913) 4.419 17.211 ( 1.721 -0.000 -29.087) 29.138 17.631 ( -2.839 0.000 12.661) 12.975 18.122 ( -3.379 -0.000 -4.976) 6.015 18.682 ( 6.335 0.000 20.009) 20.989 20.160 ( -4.013 0.000 4.409) 5.962 ======================= Grid point 306 (142/148) ======================= q-point: ( 0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 0.000 -0.308 -0.000) 0.308 3.786 ( -0.000 22.345 0.000) 22.345 3.971 ( 0.000 -26.414 -0.000) 26.414 4.290 ( 0.000 -0.961 -0.000) 0.961 4.604 ( -0.000 12.000 0.000) 12.000 5.007 ( -0.000 17.705 0.000) 17.705 6.432 ( 0.000 -24.360 -0.000) 24.360 7.084 ( 0.000 -5.143 -0.000) 5.143 7.561 ( -0.000 29.970 0.000) 29.970 7.832 ( 0.000 -1.874 -0.000) 1.874 7.965 ( -0.000 15.485 0.000) 15.485 8.348 ( 0.000 -5.955 -0.000) 5.955 8.500 ( 0.000 -2.549 -0.000) 2.549 8.509 ( 0.000 -13.800 -0.000) 13.800 9.586 ( 0.000 -20.835 -0.000) 20.835 9.743 ( 0.000 -5.959 -0.000) 5.959 9.786 ( 0.000 -6.047 -0.000) 6.047 10.055 ( -0.000 21.888 0.000) 21.888 10.534 ( 0.000 -10.623 -0.000) 10.623 10.659 ( -0.000 12.499 0.000) 12.499 11.206 ( -0.000 7.638 0.000) 7.638 11.883 ( 0.000 -7.700 -0.000) 7.700 12.212 ( -0.000 3.823 0.000) 3.823 12.221 ( 0.000 -5.716 -0.000) 5.716 12.532 ( -0.000 25.026 0.000) 25.026 12.772 ( 0.000 -3.790 -0.000) 3.790 12.971 ( 0.000 -13.324 -0.000) 13.324 13.679 ( 0.000 -7.500 -0.000) 7.500 14.222 ( -0.000 12.293 0.000) 12.293 14.328 ( -0.000 0.416 0.000) 0.416 14.376 ( -0.000 2.058 0.000) 2.058 15.159 ( -0.000 5.918 0.000) 5.918 15.249 ( 0.000 -3.099 -0.000) 3.099 15.411 ( -0.000 2.705 0.000) 2.705 15.502 ( -0.000 2.098 0.000) 2.098 16.300 ( -0.000 5.619 0.000) 5.619 17.161 ( -0.000 2.926 0.000) 2.926 17.398 ( -0.000 3.157 0.000) 3.157 18.003 ( 0.000 -17.884 -0.000) 17.884 18.229 ( 0.000 -1.162 -0.000) 1.162 18.667 ( 0.000 -13.368 -0.000) 13.368 19.841 ( -0.000 14.396 0.000) 14.396 ======================= Grid point 309 (143/148) ======================= q-point: ( 0.37 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( -3.300 -20.868 0.000) 21.127 3.541 ( 7.773 -0.874 0.000) 7.822 4.185 ( -0.055 11.900 -0.000) 11.900 4.460 ( 13.762 0.647 0.000) 13.777 4.775 ( -1.524 10.379 -0.000) 10.491 5.294 ( -5.635 12.325 -0.000) 13.552 5.887 ( -1.485 -23.622 0.000) 23.668 6.733 ( -18.747 -6.315 -0.000) 19.782 7.488 ( -18.441 1.045 -0.000) 18.471 8.095 ( -1.512 7.068 -0.000) 7.228 8.176 ( -4.433 -5.130 -0.000) 6.780 8.549 ( 20.219 0.909 0.000) 20.240 8.550 ( 22.519 15.424 0.000) 27.295 8.650 ( 16.412 -2.131 0.000) 16.550 9.002 ( -20.277 -6.611 -0.000) 21.327 9.719 ( 8.880 -13.040 0.000) 15.776 9.749 ( 3.761 -0.003 0.000) 3.761 10.412 ( 1.544 8.629 -0.000) 8.766 10.494 ( 11.579 -3.824 0.000) 12.194 10.847 ( -5.427 9.112 -0.000) 10.606 11.378 ( 4.144 5.399 0.000) 6.806 11.746 ( 1.284 -6.104 0.000) 6.237 12.185 ( -0.219 0.022 -0.000) 0.220 12.255 ( -1.695 2.698 -0.000) 3.186 12.524 ( -13.047 -2.943 -0.000) 13.375 12.678 ( -6.286 -10.765 -0.000) 12.466 12.979 ( -4.415 19.312 -0.000) 19.810 13.541 ( 0.515 -4.645 0.000) 4.674 14.100 ( -6.060 -2.598 -0.000) 6.594 14.368 ( -3.817 -0.626 -0.000) 3.868 14.497 ( 5.277 -1.166 0.000) 5.405 15.279 ( 6.978 -1.422 0.000) 7.122 15.316 ( 4.309 3.379 0.000) 5.476 15.461 ( 0.275 1.303 0.000) 1.332 15.631 ( -4.588 15.134 -0.000) 15.814 16.315 ( -0.354 -7.566 0.000) 7.575 17.205 ( 0.065 1.067 -0.000) 1.069 17.412 ( -3.241 1.919 -0.000) 3.766 17.666 ( -2.942 -8.860 -0.000) 9.336 18.283 ( 7.114 0.370 0.000) 7.124 18.411 ( -1.505 -9.741 0.000) 9.856 20.035 ( -3.514 8.044 -0.000) 8.779 ======================= Grid point 311 (144/148) ======================= q-point: ( 0.37 0.62 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -7.958 0.000 -0.000) 7.958 3.753 ( 10.980 -0.000 0.000) 10.980 4.214 ( -6.013 0.000 -0.000) 6.013 4.353 ( -22.636 0.000 -0.000) 22.636 5.190 ( -15.591 0.000 -0.000) 15.591 5.317 ( 36.587 -0.000 0.000) 36.587 5.639 ( 3.141 -0.000 0.000) 3.141 6.270 ( -16.104 0.000 -0.000) 16.104 7.160 ( -13.489 0.000 -0.000) 13.489 7.953 ( -12.868 0.000 -0.000) 12.868 8.057 ( -4.074 0.000 -0.000) 4.074 8.466 ( -24.348 0.000 -0.000) 24.348 9.034 ( 22.602 -0.000 0.000) 22.602 9.084 ( 25.203 -0.000 0.000) 25.203 9.397 ( 34.360 -0.000 0.000) 34.360 9.650 ( 3.810 -0.000 0.000) 3.810 9.844 ( 3.316 -0.000 0.000) 3.316 10.539 ( 0.866 -0.000 0.000) 0.866 10.762 ( -10.755 0.000 -0.000) 10.755 10.794 ( 22.264 -0.000 0.000) 22.264 11.553 ( 5.182 -0.000 0.000) 5.182 11.705 ( -0.145 0.000 -0.000) 0.145 12.072 ( -10.818 0.000 -0.000) 10.818 12.237 ( -3.166 0.000 -0.000) 3.166 12.286 ( -15.923 0.000 -0.000) 15.923 12.297 ( -8.329 0.000 -0.000) 8.329 12.972 ( -13.529 0.000 -0.000) 13.529 13.537 ( 2.431 -0.000 0.000) 2.431 14.078 ( 4.327 -0.000 0.000) 4.327 14.251 ( -3.817 0.000 -0.000) 3.817 14.510 ( 0.085 -0.000 0.000) 0.085 15.372 ( -1.299 0.000 -0.000) 1.299 15.421 ( 6.273 -0.000 0.000) 6.273 15.515 ( 3.318 -0.000 0.000) 3.318 15.812 ( -4.747 0.000 -0.000) 4.747 16.003 ( -7.426 0.000 -0.000) 7.426 17.209 ( -0.338 0.000 -0.000) 0.338 17.446 ( 0.844 -0.000 0.000) 0.844 17.456 ( -8.251 0.000 -0.000) 8.251 18.282 ( -0.221 0.000 -0.000) 0.221 18.515 ( 12.955 -0.000 0.000) 12.955 20.011 ( -6.460 0.000 -0.000) 6.460 ======================= Grid point 343 (145/148) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -0.000 -0.000 -8.952) 8.952 3.264 ( -0.000 -0.000 -18.063) 18.063 4.272 ( 0.000 0.000 6.350) 6.350 4.291 ( -0.000 -0.000 -5.578) 5.578 4.874 ( -0.000 -0.000 -18.461) 18.461 5.137 ( -0.000 -0.000 -21.743) 21.743 5.840 ( 0.000 0.000 10.805) 10.805 6.937 ( 0.000 0.000 1.896) 1.896 7.482 ( -0.000 -0.000 -34.772) 34.772 7.800 ( 0.000 0.000 5.066) 5.066 7.980 ( -0.000 -0.000 -21.960) 21.960 8.376 ( -0.000 -0.000 -1.566) 1.566 8.519 ( 0.000 0.000 4.015) 4.015 8.898 ( 0.000 0.000 35.760) 35.760 9.159 ( -0.000 -0.000 -21.446) 21.446 9.475 ( 0.000 0.000 23.230) 23.230 9.841 ( 0.000 0.000 5.014) 5.014 10.374 ( 0.000 0.000 9.096) 9.096 10.634 ( 0.000 0.000 9.998) 9.998 11.053 ( 0.000 0.000 2.636) 2.636 11.310 ( -0.000 -0.000 -5.290) 5.290 11.655 ( -0.000 -0.000 -0.667) 0.667 12.236 ( 0.000 0.000 1.826) 1.826 12.247 ( -0.000 -0.000 -4.475) 4.475 12.536 ( -0.000 -0.000 -7.622) 7.622 12.662 ( 0.000 0.000 4.667) 4.667 13.123 ( -0.000 -0.000 -13.629) 13.629 13.584 ( 0.000 0.000 6.780) 6.780 14.108 ( 0.000 0.000 8.107) 8.107 14.376 ( -0.000 -0.000 -6.662) 6.662 14.512 ( 0.000 0.000 4.628) 4.628 15.193 ( -0.000 -0.000 -9.721) 9.721 15.210 ( 0.000 0.000 2.021) 2.021 15.522 ( 0.000 0.000 3.970) 3.970 15.946 ( -0.000 -0.000 -18.209) 18.209 15.986 ( 0.000 0.000 0.640) 0.640 17.112 ( -0.000 -0.000 -5.051) 5.051 17.188 ( -0.000 -0.000 -31.205) 31.205 17.662 ( 0.000 0.000 13.472) 13.472 18.159 ( -0.000 -0.000 -2.967) 2.967 18.616 ( 0.000 0.000 19.429) 19.429 20.203 ( 0.000 0.000 4.761) 4.761 ======================= Grid point 360 (146/148) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 0.000 -22.278 -0.000) 22.278 3.451 ( -0.000 0.167 0.000) 0.167 4.120 ( -0.000 9.927 0.000) 9.927 4.300 ( -0.000 2.349 0.000) 2.349 4.861 ( -0.000 13.441 0.000) 13.441 5.351 ( -0.000 13.440 0.000) 13.440 5.909 ( 0.000 -24.742 -0.000) 24.742 6.977 ( 0.000 -4.859 -0.000) 4.859 7.777 ( 0.000 -2.854 -0.000) 2.854 8.046 ( -0.000 16.995 0.000) 16.995 8.223 ( 0.000 -5.602 -0.000) 5.602 8.260 ( -0.000 12.717 0.000) 12.717 8.311 ( 0.000 -6.031 -0.000) 6.031 8.470 ( 0.000 -0.620 -0.000) 0.620 9.271 ( 0.000 -10.181 -0.000) 10.181 9.580 ( 0.000 -8.619 -0.000) 8.619 9.703 ( 0.000 -2.516 -0.000) 2.516 10.361 ( 0.000 -6.293 -0.000) 6.293 10.408 ( -0.000 12.445 0.000) 12.445 10.908 ( -0.000 10.720 0.000) 10.720 11.328 ( -0.000 4.059 0.000) 4.059 11.731 ( 0.000 -6.408 -0.000) 6.408 12.186 ( -0.000 1.459 0.000) 1.459 12.271 ( -0.000 2.020 0.000) 2.020 12.681 ( 0.000 -4.703 -0.000) 4.703 12.724 ( 0.000 -10.137 -0.000) 10.137 13.023 ( -0.000 22.600 0.000) 22.600 13.532 ( 0.000 -6.207 -0.000) 6.207 14.205 ( 0.000 -11.621 -0.000) 11.621 14.405 ( -0.000 5.989 0.000) 5.989 14.424 ( -0.000 2.191 0.000) 2.191 15.202 ( 0.000 -1.639 -0.000) 1.639 15.259 ( -0.000 3.760 0.000) 3.760 15.460 ( -0.000 1.933 0.000) 1.933 15.679 ( -0.000 15.032 0.000) 15.032 16.317 ( 0.000 -5.441 -0.000) 5.441 17.204 ( -0.000 1.379 0.000) 1.379 17.443 ( -0.000 1.593 0.000) 1.593 17.701 ( 0.000 -10.782 -0.000) 10.782 18.207 ( 0.000 -0.904 -0.000) 0.904 18.429 ( 0.000 -9.577 -0.000) 9.577 20.073 ( -0.000 8.212 0.000) 8.212 ======================= Grid point 362 (147/148) ======================= q-point: ( 0.44 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -3.389 0.000 -0.000) 3.389 3.544 ( 8.209 -0.000 0.000) 8.209 4.312 ( -3.340 0.000 -0.000) 3.340 4.459 ( 19.340 -0.000 0.000) 19.340 4.924 ( -7.701 0.000 -0.000) 7.701 5.422 ( -6.950 0.000 -0.000) 6.950 5.601 ( 0.838 -0.000 0.000) 0.838 6.663 ( -19.917 0.000 -0.000) 19.917 7.489 ( -17.254 0.000 -0.000) 17.254 8.116 ( -4.468 0.000 -0.000) 4.468 8.159 ( -4.570 0.000 -0.000) 4.570 8.576 ( 23.014 -0.000 0.000) 23.014 8.628 ( 15.054 -0.000 0.000) 15.054 8.739 ( 27.639 -0.000 0.000) 27.639 8.936 ( -19.199 0.000 -0.000) 19.199 9.559 ( 5.043 -0.000 0.000) 5.043 9.749 ( 5.373 -0.000 0.000) 5.373 10.423 ( 12.534 -0.000 0.000) 12.534 10.534 ( -0.033 0.000 -0.000) 0.033 10.946 ( -6.964 0.000 -0.000) 6.964 11.436 ( 5.486 -0.000 0.000) 5.486 11.679 ( 1.513 -0.000 0.000) 1.513 12.193 ( -2.571 0.000 -0.000) 2.571 12.281 ( -1.151 0.000 -0.000) 1.151 12.510 ( -9.330 0.000 -0.000) 9.330 12.542 ( -8.169 0.000 -0.000) 8.169 13.211 ( -8.929 0.000 -0.000) 8.929 13.488 ( 2.058 -0.000 0.000) 2.058 14.026 ( 0.871 -0.000 0.000) 0.871 14.364 ( -6.401 0.000 -0.000) 6.401 14.487 ( 1.712 -0.000 0.000) 1.712 15.263 ( 6.940 -0.000 0.000) 6.940 15.351 ( 3.455 -0.000 0.000) 3.455 15.476 ( 0.082 -0.000 0.000) 0.082 15.920 ( -4.287 0.000 -0.000) 4.287 16.107 ( -2.886 0.000 -0.000) 2.886 17.215 ( -0.229 0.000 -0.000) 0.229 17.453 ( -0.998 0.000 -0.000) 0.998 17.565 ( -2.739 0.000 -0.000) 2.739 18.287 ( 8.321 -0.000 0.000) 8.321 18.305 ( -1.550 0.000 -0.000) 1.550 20.118 ( -3.683 0.000 -0.000) 3.683 ======================= Grid point 412 (148/148) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-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 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -0.000 -0.000 -0.000) 0.000 3.453 ( -0.000 -0.000 -0.000) 0.000 4.199 ( -0.000 -0.000 -0.000) 0.000 4.347 ( -0.000 -0.000 -0.000) 0.000 5.056 ( -0.000 -0.000 -0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.594 ( -0.000 -0.000 -0.000) 0.000 6.922 ( -0.000 -0.000 -0.000) 0.000 7.744 ( -0.000 -0.000 -0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.209 ( -0.000 -0.000 -0.000) 0.000 8.262 ( -0.000 -0.000 -0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.466 ( -0.000 -0.000 -0.000) 0.000 9.172 ( -0.000 -0.000 -0.000) 0.000 9.476 ( -0.000 -0.000 -0.000) 0.000 9.678 ( 0.000 0.000 0.000) 0.000 10.295 ( -0.000 -0.000 -0.000) 0.000 10.535 ( -0.000 -0.000 -0.000) 0.000 11.027 ( -0.000 -0.000 -0.000) 0.000 11.367 ( -0.000 -0.000 -0.000) 0.000 11.661 ( -0.000 -0.000 -0.000) 0.000 12.217 ( -0.000 -0.000 -0.000) 0.000 12.291 ( -0.000 -0.000 -0.000) 0.000 12.613 ( -0.000 -0.000 -0.000) 0.000 12.623 ( -0.000 -0.000 -0.000) 0.000 13.309 ( 0.000 0.000 0.000) 0.000 13.464 ( -0.000 -0.000 -0.000) 0.000 14.022 ( -0.000 -0.000 -0.000) 0.000 14.448 ( -0.000 -0.000 -0.000) 0.000 14.464 ( -0.000 -0.000 -0.000) 0.000 15.185 ( -0.000 -0.000 -0.000) 0.000 15.298 ( -0.000 -0.000 -0.000) 0.000 15.480 ( -0.000 -0.000 -0.000) 0.000 15.966 ( -0.000 -0.000 -0.000) 0.000 16.135 ( -0.000 -0.000 -0.000) 0.000 17.217 ( -0.000 -0.000 -0.000) 0.000 17.466 ( -0.000 -0.000 -0.000) 0.000 17.590 ( 0.000 0.000 0.000) 0.000 18.197 ( 0.000 0.000 0.000) 0.000 18.325 ( -0.000 -0.000 -0.000) 0.000 20.157 ( -0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32256 10.0 1490.737 1808.448 1100.532 0.000 0.000 -0.000 3/32256 20.0 1254.932 1360.419 2031.750 0.000 0.000 -0.000 3/32256 30.0 853.451 909.883 1120.051 0.000 0.000 -0.000 3/32256 40.0 594.327 660.234 684.828 0.000 0.000 -0.000 3/32256 50.0 429.152 497.201 465.310 0.000 0.000 -0.000 3/32256 60.0 313.619 379.922 330.777 0.000 0.000 -0.000 3/32256 70.0 231.928 293.383 241.513 0.000 0.000 -0.000 3/32256 80.0 174.894 229.606 180.882 0.000 0.000 -0.000 3/32256 90.0 135.212 182.755 139.172 0.000 0.000 -0.000 3/32256 100.0 107.323 148.224 110.005 0.000 0.000 -0.000 3/32256 110.0 87.354 122.526 89.181 0.000 0.000 -0.000 3/32256 120.0 72.735 103.138 73.972 0.000 0.000 -0.000 3/32256 130.0 61.785 88.277 62.609 0.000 0.000 -0.000 3/32256 140.0 53.401 76.697 53.930 0.000 0.000 -0.000 3/32256 150.0 46.847 67.527 47.167 0.000 0.000 -0.000 3/32256 160.0 41.629 60.152 41.796 0.000 0.000 -0.000 3/32256 170.0 37.401 54.133 37.458 0.000 0.000 -0.000 3/32256 180.0 33.924 49.155 33.900 0.000 0.000 -0.000 3/32256 190.0 31.024 44.985 30.942 0.000 0.000 -0.000 3/32256 200.0 28.575 41.454 28.450 0.000 0.000 -0.000 3/32256 210.0 26.484 38.431 26.328 0.000 0.000 -0.000 3/32256 220.0 24.680 35.819 24.502 0.000 0.000 -0.000 3/32256 230.0 23.110 33.543 22.917 0.000 0.000 -0.000 3/32256 240.0 21.732 31.544 21.528 0.000 0.000 -0.000 3/32256 250.0 20.514 29.775 20.303 0.000 0.000 -0.000 3/32256 260.0 19.430 28.200 19.214 0.000 0.000 -0.000 3/32256 270.0 18.458 26.788 18.241 0.000 0.000 -0.000 3/32256 280.0 17.583 25.517 17.365 0.000 0.000 -0.000 3/32256 290.0 16.791 24.365 16.573 0.000 0.000 -0.000 3/32256 300.0 16.070 23.318 15.854 0.000 0.000 -0.000 3/32256 310.0 15.412 22.361 15.198 0.000 0.000 -0.000 3/32256 320.0 14.808 21.483 14.596 0.000 0.000 -0.000 3/32256 330.0 14.251 20.675 14.043 0.000 0.000 -0.000 3/32256 340.0 13.738 19.928 13.532 0.000 0.000 -0.000 3/32256 350.0 13.261 19.237 13.060 0.000 0.000 -0.000 3/32256 360.0 12.819 18.594 12.620 0.000 0.000 -0.000 3/32256 370.0 12.406 17.994 12.211 0.000 0.000 -0.000 3/32256 380.0 12.021 17.435 11.829 0.000 0.000 -0.000 3/32256 390.0 11.659 16.910 11.472 0.000 0.000 -0.000 3/32256 400.0 11.320 16.418 11.136 0.000 0.000 -0.000 3/32256 410.0 11.002 15.955 10.821 0.000 0.000 -0.000 3/32256 420.0 10.701 15.519 10.524 0.000 0.000 -0.000 3/32256 430.0 10.417 15.107 10.243 0.000 0.000 -0.000 3/32256 440.0 10.149 14.718 9.978 0.000 0.000 -0.000 3/32256 450.0 9.895 14.348 9.727 0.000 0.000 -0.000 3/32256 460.0 9.653 13.998 9.489 0.000 0.000 -0.000 3/32256 470.0 9.424 13.666 9.263 0.000 0.000 -0.000 3/32256 480.0 9.206 13.349 9.047 0.000 0.000 -0.000 3/32256 490.0 8.998 13.048 8.842 0.000 0.000 -0.000 3/32256 500.0 8.800 12.760 8.647 0.000 0.000 -0.000 3/32256 510.0 8.610 12.485 8.460 0.000 0.000 -0.000 3/32256 520.0 8.429 12.222 8.282 0.000 0.000 -0.000 3/32256 530.0 8.256 11.971 8.111 0.000 0.000 -0.000 3/32256 540.0 8.090 11.730 7.947 0.000 0.000 -0.000 3/32256 550.0 7.931 11.499 7.790 0.000 0.000 -0.000 3/32256 560.0 7.778 11.277 7.640 0.000 0.000 -0.000 3/32256 570.0 7.631 11.064 7.495 0.000 0.000 -0.000 3/32256 580.0 7.489 10.859 7.356 0.000 0.000 -0.000 3/32256 590.0 7.353 10.662 7.222 0.000 0.000 -0.000 3/32256 600.0 7.223 10.472 7.093 0.000 0.000 -0.000 3/32256 610.0 7.096 10.289 6.969 0.000 0.000 -0.000 3/32256 620.0 6.975 10.113 6.849 0.000 0.000 -0.000 3/32256 630.0 6.857 9.943 6.733 0.000 0.000 -0.000 3/32256 640.0 6.744 9.778 6.622 0.000 0.000 -0.000 3/32256 650.0 6.634 9.619 6.514 0.000 0.000 -0.000 3/32256 660.0 6.528 9.465 6.409 0.000 0.000 -0.000 3/32256 670.0 6.425 9.316 6.309 0.000 0.000 -0.000 3/32256 680.0 6.326 9.172 6.211 0.000 0.000 -0.000 3/32256 690.0 6.230 9.033 6.116 0.000 0.000 -0.000 3/32256 700.0 6.136 8.897 6.024 0.000 0.000 -0.000 3/32256 710.0 6.046 8.766 5.935 0.000 0.000 -0.000 3/32256 720.0 5.958 8.639 5.849 0.000 0.000 -0.000 3/32256 730.0 5.873 8.516 5.765 0.000 0.000 -0.000 3/32256 740.0 5.790 8.396 5.684 0.000 0.000 -0.000 3/32256 750.0 5.710 8.279 5.605 0.000 0.000 -0.000 3/32256 760.0 5.632 8.166 5.528 0.000 0.000 -0.000 3/32256 770.0 5.556 8.056 5.454 0.000 0.000 -0.000 3/32256 780.0 5.482 7.949 5.381 0.000 0.000 -0.000 3/32256 790.0 5.410 7.844 5.310 0.000 0.000 -0.000 3/32256 800.0 5.340 7.743 5.241 0.000 0.000 -0.000 3/32256 810.0 5.272 7.644 5.174 0.000 0.000 -0.000 3/32256 820.0 5.205 7.548 5.109 0.000 0.000 -0.000 3/32256 830.0 5.141 7.454 5.045 0.000 0.000 -0.000 3/32256 840.0 5.077 7.362 4.983 0.000 0.000 -0.000 3/32256 850.0 5.016 7.273 4.923 0.000 0.000 -0.000 3/32256 860.0 4.956 7.186 4.864 0.000 0.000 -0.000 3/32256 870.0 4.897 7.101 4.806 0.000 0.000 -0.000 3/32256 880.0 4.840 7.018 4.750 0.000 0.000 -0.000 3/32256 890.0 4.784 6.937 4.695 0.000 0.000 -0.000 3/32256 900.0 4.730 6.858 4.642 0.000 0.000 -0.000 3/32256 910.0 4.676 6.781 4.589 0.000 0.000 -0.000 3/32256 920.0 4.624 6.705 4.538 0.000 0.000 -0.000 3/32256 930.0 4.573 6.631 4.488 0.000 0.000 -0.000 3/32256 940.0 4.523 6.559 4.439 0.000 0.000 -0.000 3/32256 950.0 4.475 6.488 4.391 0.000 0.000 -0.000 3/32256 960.0 4.427 6.419 4.344 0.000 0.000 -0.000 3/32256 970.0 4.380 6.352 4.299 0.000 0.000 -0.000 3/32256 980.0 4.335 6.285 4.254 0.000 0.000 -0.000 3/32256 990.0 4.290 6.221 4.210 0.000 0.000 -0.000 3/32256 1000.0 4.246 6.157 4.167 0.000 0.000 -0.000 3/32256 Thermal conductivity related properties were written into "kappa-m2848.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:26:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|