----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:29:48]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.396728725043547 -4.072965834999999 0.000000000000000 b 3.396728725043547 4.072965834999999 0.000000000000000 c -3.107020101348057 0.000000000000000 6.355300817077736 Atomic positions (fractional): *1 O 0.25683038753403 0.37725183460950 0.09332836372304 15.999 2 O 0.62274816539050 0.74316961246597 0.40667163627696 15.999 3 O 0.74316961246597 0.62274816539050 0.90667163627696 15.999 4 O 0.37725183460950 0.25683038753403 0.59332836372304 15.999 *5 O 0.09460654471283 0.90539345528717 0.75000000000000 15.999 6 O 0.90539345528717 0.09460654471283 0.25000000000000 15.999 *7 O 0.12550184846696 0.68230897710191 0.36935439349444 15.999 8 O 0.31769102289809 0.87449815153304 0.13064560650556 15.999 9 O 0.87449815153304 0.31769102289809 0.63064560650556 15.999 10 O 0.68230897710191 0.12550184846696 0.86935439349444 15.999 *11 P 0.32968913012881 0.67031086987119 0.25000000000000 30.974 12 P 0.67031086987119 0.32968913012881 0.75000000000000 30.974 *13 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 14 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.793457450087095 0.000000000000000 0.000000000000000 b 0.000000000000000 8.145931669999998 0.000000000000000 c -3.107020101348057 0.000000000000000 6.355300817077736 Atomic positions (fractional): *1 O 0.31704111107177 0.06021072353774 0.09332836372304 15.999 > 1 2 O 0.68295888892823 0.06021072353774 0.40667163627696 15.999 > 2 3 O 0.68295888892823 0.93978927646226 0.90667163627696 15.999 > 3 4 O 0.31704111107177 0.93978927646226 0.59332836372304 15.999 > 4 *5 O 0.50000000000000 0.40539345528717 0.75000000000000 15.999 > 5 6 O 0.50000000000000 0.59460654471283 0.25000000000000 15.999 > 6 *7 O 0.40390541278443 0.27840356431748 0.36935439349444 15.999 > 7 8 O 0.59609458721557 0.27840356431748 0.13064560650556 15.999 > 8 9 O 0.59609458721557 0.72159643568252 0.63064560650556 15.999 > 9 10 O 0.40390541278443 0.72159643568252 0.86935439349444 15.999 > 10 11 O 0.81704111107177 0.56021072353774 0.09332836372304 15.999 > 1 12 O 0.18295888892823 0.56021072353774 0.40667163627696 15.999 > 2 13 O 0.18295888892823 0.43978927646226 0.90667163627696 15.999 > 3 14 O 0.81704111107177 0.43978927646226 0.59332836372304 15.999 > 4 15 O 0.00000000000000 0.90539345528717 0.75000000000000 15.999 > 5 16 O 0.00000000000000 0.09460654471283 0.25000000000000 15.999 > 6 17 O 0.90390541278443 0.77840356431748 0.36935439349444 15.999 > 7 18 O 0.09609458721557 0.77840356431748 0.13064560650556 15.999 > 8 19 O 0.09609458721557 0.22159643568252 0.63064560650556 15.999 > 9 20 O 0.90390541278443 0.22159643568252 0.86935439349444 15.999 > 10 *21 P 0.50000000000000 0.17031086987119 0.25000000000000 30.974 > 11 22 P 0.50000000000000 0.82968913012881 0.75000000000000 30.974 > 12 23 P 0.00000000000000 0.67031086987119 0.25000000000000 30.974 > 11 24 P 0.00000000000000 0.32968913012881 0.75000000000000 30.974 > 12 *25 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 13 26 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 14 27 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 13 28 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.586914900174190 0.000000000000000 0.000000000000000 b 0.000000000000000 8.145931669999998 0.000000000000000 c -6.214040202696114 0.000000000000000 12.710601634155472 Atomic positions (fractional): *1 O 0.15852055553588 0.06021072353774 0.04666418186152 15.999 > 1 2 O 0.65852055553588 0.06021072353774 0.04666418186152 15.999 > 1 3 O 0.15852055553588 0.06021072353774 0.54666418186152 15.999 > 1 4 O 0.65852055553588 0.06021072353774 0.54666418186152 15.999 > 1 5 O 0.34147944446412 0.06021072353774 0.20333581813848 15.999 > 2 6 O 0.84147944446412 0.06021072353774 0.20333581813848 15.999 > 2 7 O 0.34147944446412 0.06021072353774 0.70333581813848 15.999 > 2 8 O 0.84147944446412 0.06021072353774 0.70333581813848 15.999 > 2 9 O 0.34147944446412 0.93978927646226 0.45333581813848 15.999 > 3 10 O 0.84147944446412 0.93978927646226 0.45333581813848 15.999 > 3 11 O 0.34147944446412 0.93978927646226 0.95333581813848 15.999 > 3 12 O 0.84147944446412 0.93978927646226 0.95333581813848 15.999 > 3 13 O 0.15852055553588 0.93978927646226 0.29666418186152 15.999 > 4 14 O 0.65852055553588 0.93978927646226 0.29666418186152 15.999 > 4 15 O 0.15852055553588 0.93978927646226 0.79666418186152 15.999 > 4 16 O 0.65852055553588 0.93978927646226 0.79666418186152 15.999 > 4 *17 O 0.25000000000000 0.40539345528717 0.37500000000000 15.999 > 5 18 O 0.75000000000000 0.40539345528717 0.37500000000000 15.999 > 5 19 O 0.25000000000000 0.40539345528717 0.87500000000000 15.999 > 5 20 O 0.75000000000000 0.40539345528717 0.87500000000000 15.999 > 5 21 O 0.25000000000000 0.59460654471283 0.12500000000000 15.999 > 6 22 O 0.75000000000000 0.59460654471283 0.12500000000000 15.999 > 6 23 O 0.25000000000000 0.59460654471283 0.62500000000000 15.999 > 6 24 O 0.75000000000000 0.59460654471283 0.62500000000000 15.999 > 6 *25 O 0.20195270639222 0.27840356431748 0.18467719674722 15.999 > 7 26 O 0.70195270639222 0.27840356431748 0.18467719674722 15.999 > 7 27 O 0.20195270639222 0.27840356431748 0.68467719674722 15.999 > 7 28 O 0.70195270639222 0.27840356431748 0.68467719674722 15.999 > 7 29 O 0.29804729360778 0.27840356431748 0.06532280325278 15.999 > 8 30 O 0.79804729360778 0.27840356431748 0.06532280325278 15.999 > 8 31 O 0.29804729360778 0.27840356431748 0.56532280325278 15.999 > 8 32 O 0.79804729360778 0.27840356431748 0.56532280325278 15.999 > 8 33 O 0.29804729360778 0.72159643568252 0.31532280325278 15.999 > 9 34 O 0.79804729360778 0.72159643568252 0.31532280325278 15.999 > 9 35 O 0.29804729360778 0.72159643568252 0.81532280325278 15.999 > 9 36 O 0.79804729360778 0.72159643568252 0.81532280325278 15.999 > 9 37 O 0.20195270639222 0.72159643568252 0.43467719674722 15.999 > 10 38 O 0.70195270639222 0.72159643568252 0.43467719674722 15.999 > 10 39 O 0.20195270639222 0.72159643568252 0.93467719674722 15.999 > 10 40 O 0.70195270639222 0.72159643568252 0.93467719674722 15.999 > 10 41 O 0.40852055553588 0.56021072353774 0.04666418186152 15.999 > 1 42 O 0.90852055553588 0.56021072353774 0.04666418186152 15.999 > 1 43 O 0.40852055553588 0.56021072353774 0.54666418186152 15.999 > 1 44 O 0.90852055553588 0.56021072353774 0.54666418186152 15.999 > 1 45 O 0.09147944446412 0.56021072353774 0.20333581813848 15.999 > 2 46 O 0.59147944446412 0.56021072353774 0.20333581813848 15.999 > 2 47 O 0.09147944446412 0.56021072353774 0.70333581813848 15.999 > 2 48 O 0.59147944446412 0.56021072353774 0.70333581813848 15.999 > 2 49 O 0.09147944446412 0.43978927646226 0.45333581813848 15.999 > 3 50 O 0.59147944446412 0.43978927646226 0.45333581813848 15.999 > 3 51 O 0.09147944446412 0.43978927646226 0.95333581813848 15.999 > 3 52 O 0.59147944446412 0.43978927646226 0.95333581813848 15.999 > 3 53 O 0.40852055553588 0.43978927646226 0.29666418186152 15.999 > 4 54 O 0.90852055553588 0.43978927646226 0.29666418186152 15.999 > 4 55 O 0.40852055553588 0.43978927646226 0.79666418186152 15.999 > 4 56 O 0.90852055553588 0.43978927646226 0.79666418186152 15.999 > 4 57 O 0.00000000000000 0.90539345528717 0.37500000000000 15.999 > 5 58 O 0.50000000000000 0.90539345528717 0.37500000000000 15.999 > 5 59 O 0.00000000000000 0.90539345528717 0.87500000000000 15.999 > 5 60 O 0.50000000000000 0.90539345528717 0.87500000000000 15.999 > 5 61 O 0.00000000000000 0.09460654471283 0.12500000000000 15.999 > 6 62 O 0.50000000000000 0.09460654471283 0.12500000000000 15.999 > 6 63 O 0.00000000000000 0.09460654471283 0.62500000000000 15.999 > 6 64 O 0.50000000000000 0.09460654471283 0.62500000000000 15.999 > 6 65 O 0.45195270639222 0.77840356431748 0.18467719674722 15.999 > 7 66 O 0.95195270639222 0.77840356431748 0.18467719674722 15.999 > 7 67 O 0.45195270639222 0.77840356431748 0.68467719674722 15.999 > 7 68 O 0.95195270639222 0.77840356431748 0.68467719674722 15.999 > 7 69 O 0.04804729360778 0.77840356431748 0.06532280325278 15.999 > 8 70 O 0.54804729360778 0.77840356431748 0.06532280325278 15.999 > 8 71 O 0.04804729360778 0.77840356431748 0.56532280325278 15.999 > 8 72 O 0.54804729360778 0.77840356431748 0.56532280325278 15.999 > 8 73 O 0.04804729360778 0.22159643568252 0.31532280325278 15.999 > 9 74 O 0.54804729360778 0.22159643568252 0.31532280325278 15.999 > 9 75 O 0.04804729360778 0.22159643568252 0.81532280325278 15.999 > 9 76 O 0.54804729360778 0.22159643568252 0.81532280325278 15.999 > 9 77 O 0.45195270639222 0.22159643568252 0.43467719674722 15.999 > 10 78 O 0.95195270639222 0.22159643568252 0.43467719674722 15.999 > 10 79 O 0.45195270639222 0.22159643568252 0.93467719674722 15.999 > 10 80 O 0.95195270639222 0.22159643568252 0.93467719674722 15.999 > 10 *81 P 0.25000000000000 0.17031086987119 0.12500000000000 30.974 > 11 82 P 0.75000000000000 0.17031086987119 0.12500000000000 30.974 > 11 83 P 0.25000000000000 0.17031086987119 0.62500000000000 30.974 > 11 84 P 0.75000000000000 0.17031086987119 0.62500000000000 30.974 > 11 85 P 0.25000000000000 0.82968913012881 0.37500000000000 30.974 > 12 86 P 0.75000000000000 0.82968913012881 0.37500000000000 30.974 > 12 87 P 0.25000000000000 0.82968913012881 0.87500000000000 30.974 > 12 88 P 0.75000000000000 0.82968913012881 0.87500000000000 30.974 > 12 89 P 0.00000000000000 0.67031086987119 0.12500000000000 30.974 > 11 90 P 0.50000000000000 0.67031086987119 0.12500000000000 30.974 > 11 91 P 0.00000000000000 0.67031086987119 0.62500000000000 30.974 > 11 92 P 0.50000000000000 0.67031086987119 0.62500000000000 30.974 > 11 93 P 0.00000000000000 0.32968913012881 0.37500000000000 30.974 > 12 94 P 0.50000000000000 0.32968913012881 0.37500000000000 30.974 > 12 95 P 0.00000000000000 0.32968913012881 0.87500000000000 30.974 > 12 96 P 0.50000000000000 0.32968913012881 0.87500000000000 30.974 > 12 *97 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 13 98 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 13 99 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 13 100 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 13 101 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 14 102 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 14 103 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 14 104 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 14 105 Sb 0.25000000000000 0.50000000000000 0.25000000000000 121.760 > 13 106 Sb 0.75000000000000 0.50000000000000 0.25000000000000 121.760 > 13 107 Sb 0.25000000000000 0.50000000000000 0.75000000000000 121.760 > 13 108 Sb 0.75000000000000 0.50000000000000 0.75000000000000 121.760 > 13 109 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 14 110 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 14 111 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 14 112 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1988029 0.0000000 0.0219567 0.0000000 3.2074309 0.0000000 0.0219562 0.0000000 3.4442236 -------------------------- Born effective charges -------------------------- 1 O -2.2214574 -0.8218144 -1.0257382 -0.6917116 -1.5522566 -0.6641627 -0.7594707 -0.6164985 -1.7823757 2 O -2.2214574 0.8218144 -1.0257382 0.6917116 -1.5522566 0.6641627 -0.7594707 0.6164985 -1.7823757 3 O -2.2214574 -0.8218144 -1.0257382 -0.6917116 -1.5522566 -0.6641627 -0.7594707 -0.6164985 -1.7823757 4 O -2.2214574 0.8218144 -1.0257382 0.6917116 -1.5522566 0.6641627 -0.7594707 0.6164985 -1.7823757 5 O -1.4505800 0.0000000 0.7604782 0.0000000 -1.1437289 0.0000000 0.5694499 0.0000000 -2.3331774 6 O -1.4505800 0.0000000 0.7604782 0.0000000 -1.1437289 0.0000000 0.5694499 0.0000000 -2.3331774 7 O -1.2808624 0.3160647 0.1861947 0.5998135 -2.1725515 -0.7289934 0.5134417 -0.6772362 -1.5706572 8 O -1.2808624 -0.3160647 0.1861947 -0.5998135 -2.1725515 0.7289934 0.5134417 0.6772362 -1.5706572 9 O -1.2808624 0.3160647 0.1861947 0.5998135 -2.1725515 -0.7289934 0.5134417 -0.6772362 -1.5706572 10 O -1.2808624 -0.3160647 0.1861947 -0.5998135 -2.1725515 0.7289934 0.5134417 0.6772362 -1.5706572 11 P 3.5645797 0.0000000 1.4248662 0.0000000 3.9618826 0.0000000 -0.4432264 0.0000000 3.6395212 12 P 3.5645797 0.0000000 1.4248662 0.0000000 3.9618826 0.0000000 -0.4432264 0.0000000 3.6395212 13 Sb 4.8906398 -0.6823462 -0.5062574 -1.2729940 4.6314626 0.5261485 0.3658346 -0.1817736 5.3997220 14 Sb 4.8906398 0.6823462 -0.5062574 1.2729940 4.6314626 -0.5261485 0.3658346 0.1817736 5.3997220 ---------------------------------------------------------------------------- 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: 9168/9168 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1882 Number of blocks in projector: 1882 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: 402 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1882, 1846), data: False |-- (236, 231), data: True |-- (236, 231), data: True |-- (236, 231), data: True |-- (386, 380), data: True |-- (386, 380), data: True |-- (402, 393), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.142 Solver_block: 200 / 480 - Time: 3.188 Solver_block: 300 / 480 - Time: 3.075 Solver_block: 400 / 480 - Time: 3.118 Solver_block: 480 / 480 - Time: 2.502 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.154 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 9168/9168 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1882 Number of blocks in projector: 1882 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: 402 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1882, 1846), data: False |-- (236, 231), data: True |-- (236, 231), data: True |-- (236, 231), data: True |-- (386, 380), data: True |-- (386, 380), data: True |-- (402, 393), 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 2026-01-07 23:30:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:30:32]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.396728725043547 -4.072965834999999 0.000000000000000 b 3.396728725043547 4.072965834999999 0.000000000000000 c -3.107020101348057 0.000000000000000 6.355300817077736 Atomic positions (fractional): 1 O 0.25683038753403 0.37725183460950 0.09332836372304 15.999 2 O 0.62274816539050 0.74316961246597 0.40667163627696 15.999 3 O 0.74316961246597 0.62274816539050 0.90667163627696 15.999 4 O 0.37725183460950 0.25683038753403 0.59332836372304 15.999 5 O 0.09460654471283 0.90539345528717 0.75000000000000 15.999 6 O 0.90539345528717 0.09460654471283 0.25000000000000 15.999 7 O 0.12550184846696 0.68230897710191 0.36935439349444 15.999 8 O 0.31769102289809 0.87449815153304 0.13064560650556 15.999 9 O 0.87449815153304 0.31769102289809 0.63064560650556 15.999 10 O 0.68230897710191 0.12550184846696 0.86935439349444 15.999 11 P 0.32968913012881 0.67031086987119 0.25000000000000 30.974 12 P 0.67031086987119 0.32968913012881 0.75000000000000 30.974 13 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 14 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.586914900174190 0.000000000000000 0.000000000000000 b 0.000000000000000 8.145931669999998 0.000000000000000 c -6.214040202696114 0.000000000000000 12.710601634155472 Atomic positions (fractional): 1 O 0.15852055553588 0.06021072353774 0.04666418186152 15.999 > 1 2 O 0.65852055553588 0.06021072353774 0.04666418186152 15.999 > 1 3 O 0.15852055553588 0.06021072353774 0.54666418186152 15.999 > 1 4 O 0.65852055553588 0.06021072353774 0.54666418186152 15.999 > 1 5 O 0.34147944446412 0.06021072353774 0.20333581813848 15.999 > 5 6 O 0.84147944446412 0.06021072353774 0.20333581813848 15.999 > 5 7 O 0.34147944446412 0.06021072353774 0.70333581813848 15.999 > 5 8 O 0.84147944446412 0.06021072353774 0.70333581813848 15.999 > 5 9 O 0.34147944446412 0.93978927646226 0.45333581813848 15.999 > 9 10 O 0.84147944446412 0.93978927646226 0.45333581813848 15.999 > 9 11 O 0.34147944446412 0.93978927646226 0.95333581813848 15.999 > 9 12 O 0.84147944446412 0.93978927646226 0.95333581813848 15.999 > 9 13 O 0.15852055553588 0.93978927646226 0.29666418186152 15.999 > 13 14 O 0.65852055553588 0.93978927646226 0.29666418186152 15.999 > 13 15 O 0.15852055553588 0.93978927646226 0.79666418186152 15.999 > 13 16 O 0.65852055553588 0.93978927646226 0.79666418186152 15.999 > 13 17 O 0.25000000000000 0.40539345528717 0.37500000000000 15.999 > 17 18 O 0.75000000000000 0.40539345528717 0.37500000000000 15.999 > 17 19 O 0.25000000000000 0.40539345528717 0.87500000000000 15.999 > 17 20 O 0.75000000000000 0.40539345528717 0.87500000000000 15.999 > 17 21 O 0.25000000000000 0.59460654471283 0.12500000000000 15.999 > 21 22 O 0.75000000000000 0.59460654471283 0.12500000000000 15.999 > 21 23 O 0.25000000000000 0.59460654471283 0.62500000000000 15.999 > 21 24 O 0.75000000000000 0.59460654471283 0.62500000000000 15.999 > 21 25 O 0.20195270639222 0.27840356431748 0.18467719674722 15.999 > 25 26 O 0.70195270639222 0.27840356431748 0.18467719674722 15.999 > 25 27 O 0.20195270639222 0.27840356431748 0.68467719674722 15.999 > 25 28 O 0.70195270639222 0.27840356431748 0.68467719674722 15.999 > 25 29 O 0.29804729360778 0.27840356431748 0.06532280325278 15.999 > 29 30 O 0.79804729360778 0.27840356431748 0.06532280325278 15.999 > 29 31 O 0.29804729360778 0.27840356431748 0.56532280325278 15.999 > 29 32 O 0.79804729360778 0.27840356431748 0.56532280325278 15.999 > 29 33 O 0.29804729360778 0.72159643568252 0.31532280325278 15.999 > 33 34 O 0.79804729360778 0.72159643568252 0.31532280325278 15.999 > 33 35 O 0.29804729360778 0.72159643568252 0.81532280325278 15.999 > 33 36 O 0.79804729360778 0.72159643568252 0.81532280325278 15.999 > 33 37 O 0.20195270639222 0.72159643568252 0.43467719674722 15.999 > 37 38 O 0.70195270639222 0.72159643568252 0.43467719674722 15.999 > 37 39 O 0.20195270639222 0.72159643568252 0.93467719674722 15.999 > 37 40 O 0.70195270639222 0.72159643568252 0.93467719674722 15.999 > 37 41 O 0.40852055553588 0.56021072353774 0.04666418186152 15.999 > 1 42 O 0.90852055553588 0.56021072353774 0.04666418186152 15.999 > 1 43 O 0.40852055553588 0.56021072353774 0.54666418186152 15.999 > 1 44 O 0.90852055553588 0.56021072353774 0.54666418186152 15.999 > 1 45 O 0.09147944446412 0.56021072353774 0.20333581813848 15.999 > 5 46 O 0.59147944446412 0.56021072353774 0.20333581813848 15.999 > 5 47 O 0.09147944446412 0.56021072353774 0.70333581813848 15.999 > 5 48 O 0.59147944446412 0.56021072353774 0.70333581813848 15.999 > 5 49 O 0.09147944446412 0.43978927646226 0.45333581813848 15.999 > 9 50 O 0.59147944446412 0.43978927646226 0.45333581813848 15.999 > 9 51 O 0.09147944446412 0.43978927646226 0.95333581813848 15.999 > 9 52 O 0.59147944446412 0.43978927646226 0.95333581813848 15.999 > 9 53 O 0.40852055553588 0.43978927646226 0.29666418186152 15.999 > 13 54 O 0.90852055553588 0.43978927646226 0.29666418186152 15.999 > 13 55 O 0.40852055553588 0.43978927646226 0.79666418186152 15.999 > 13 56 O 0.90852055553588 0.43978927646226 0.79666418186152 15.999 > 13 57 O 0.00000000000000 0.90539345528717 0.37500000000000 15.999 > 17 58 O 0.50000000000000 0.90539345528717 0.37500000000000 15.999 > 17 59 O 0.00000000000000 0.90539345528717 0.87500000000000 15.999 > 17 60 O 0.50000000000000 0.90539345528717 0.87500000000000 15.999 > 17 61 O 0.00000000000000 0.09460654471283 0.12500000000000 15.999 > 21 62 O 0.50000000000000 0.09460654471283 0.12500000000000 15.999 > 21 63 O 0.00000000000000 0.09460654471283 0.62500000000000 15.999 > 21 64 O 0.50000000000000 0.09460654471283 0.62500000000000 15.999 > 21 65 O 0.45195270639222 0.77840356431748 0.18467719674722 15.999 > 25 66 O 0.95195270639222 0.77840356431748 0.18467719674722 15.999 > 25 67 O 0.45195270639222 0.77840356431748 0.68467719674722 15.999 > 25 68 O 0.95195270639222 0.77840356431748 0.68467719674722 15.999 > 25 69 O 0.04804729360778 0.77840356431748 0.06532280325278 15.999 > 29 70 O 0.54804729360778 0.77840356431748 0.06532280325278 15.999 > 29 71 O 0.04804729360778 0.77840356431748 0.56532280325278 15.999 > 29 72 O 0.54804729360778 0.77840356431748 0.56532280325278 15.999 > 29 73 O 0.04804729360778 0.22159643568252 0.31532280325278 15.999 > 33 74 O 0.54804729360778 0.22159643568252 0.31532280325278 15.999 > 33 75 O 0.04804729360778 0.22159643568252 0.81532280325278 15.999 > 33 76 O 0.54804729360778 0.22159643568252 0.81532280325278 15.999 > 33 77 O 0.45195270639222 0.22159643568252 0.43467719674722 15.999 > 37 78 O 0.95195270639222 0.22159643568252 0.43467719674722 15.999 > 37 79 O 0.45195270639222 0.22159643568252 0.93467719674722 15.999 > 37 80 O 0.95195270639222 0.22159643568252 0.93467719674722 15.999 > 37 81 P 0.25000000000000 0.17031086987119 0.12500000000000 30.974 > 81 82 P 0.75000000000000 0.17031086987119 0.12500000000000 30.974 > 81 83 P 0.25000000000000 0.17031086987119 0.62500000000000 30.974 > 81 84 P 0.75000000000000 0.17031086987119 0.62500000000000 30.974 > 81 85 P 0.25000000000000 0.82968913012881 0.37500000000000 30.974 > 85 86 P 0.75000000000000 0.82968913012881 0.37500000000000 30.974 > 85 87 P 0.25000000000000 0.82968913012881 0.87500000000000 30.974 > 85 88 P 0.75000000000000 0.82968913012881 0.87500000000000 30.974 > 85 89 P 0.00000000000000 0.67031086987119 0.12500000000000 30.974 > 81 90 P 0.50000000000000 0.67031086987119 0.12500000000000 30.974 > 81 91 P 0.00000000000000 0.67031086987119 0.62500000000000 30.974 > 81 92 P 0.50000000000000 0.67031086987119 0.62500000000000 30.974 > 81 93 P 0.00000000000000 0.32968913012881 0.37500000000000 30.974 > 85 94 P 0.50000000000000 0.32968913012881 0.37500000000000 30.974 > 85 95 P 0.00000000000000 0.32968913012881 0.87500000000000 30.974 > 85 96 P 0.50000000000000 0.32968913012881 0.87500000000000 30.974 > 85 97 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 97 98 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 97 99 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 97 100 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 97 101 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 101 102 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 101 103 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 101 104 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 101 105 Sb 0.25000000000000 0.50000000000000 0.25000000000000 121.760 > 97 106 Sb 0.75000000000000 0.50000000000000 0.25000000000000 121.760 > 97 107 Sb 0.25000000000000 0.50000000000000 0.75000000000000 121.760 > 97 108 Sb 0.75000000000000 0.50000000000000 0.75000000000000 121.760 > 97 109 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 101 110 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 101 111 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 101 112 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1988029 0.0000000 0.0219567 0.0000000 3.2074309 0.0000000 0.0219562 0.0000000 3.4442236 -------------------------- Born effective charges -------------------------- 1 O -2.2214574 -0.8218144 -1.0257382 -0.6917116 -1.5522566 -0.6641627 -0.7594707 -0.6164985 -1.7823757 2 O -2.2214574 0.8218144 -1.0257382 0.6917116 -1.5522566 0.6641627 -0.7594707 0.6164985 -1.7823757 3 O -2.2214574 -0.8218144 -1.0257382 -0.6917116 -1.5522566 -0.6641627 -0.7594707 -0.6164985 -1.7823757 4 O -2.2214574 0.8218144 -1.0257382 0.6917116 -1.5522566 0.6641627 -0.7594707 0.6164985 -1.7823757 5 O -1.4505800 0.0000000 0.7604782 0.0000000 -1.1437289 0.0000000 0.5694499 0.0000000 -2.3331774 6 O -1.4505800 0.0000000 0.7604782 0.0000000 -1.1437289 0.0000000 0.5694499 0.0000000 -2.3331774 7 O -1.2808624 0.3160647 0.1861947 0.5998135 -2.1725515 -0.7289934 0.5134417 -0.6772362 -1.5706572 8 O -1.2808624 -0.3160647 0.1861947 -0.5998135 -2.1725515 0.7289934 0.5134417 0.6772362 -1.5706572 9 O -1.2808624 0.3160647 0.1861947 0.5998135 -2.1725515 -0.7289934 0.5134417 -0.6772362 -1.5706572 10 O -1.2808624 -0.3160647 0.1861947 -0.5998135 -2.1725515 0.7289934 0.5134417 0.6772362 -1.5706572 11 P 3.5645797 0.0000000 1.4248662 0.0000000 3.9618826 0.0000000 -0.4432264 0.0000000 3.6395212 12 P 3.5645797 0.0000000 1.4248662 0.0000000 3.9618826 0.0000000 -0.4432264 0.0000000 3.6395212 13 Sb 4.8906398 -0.6823462 -0.5062574 -1.2729940 4.6314626 0.5261485 0.3658346 -0.1817736 5.3997220 14 Sb 4.8906398 0.6823462 -0.5062574 1.2729940 4.6314626 -0.5261485 0.3658346 0.1817736 5.3997220 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 17, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 25, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 81, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000247 (yyy) 0.00000247 (yyy) 0.00000247 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000706 (xz) 0.00000706 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:30:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:30:53]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.396728725043547 -4.072965834999999 0.000000000000000 b 3.396728725043547 4.072965834999999 0.000000000000000 c -3.107020101348057 0.000000000000000 6.355300817077736 Atomic positions (fractional): 1 O 0.25683038753403 0.37725183460950 0.09332836372304 15.999 2 O 0.62274816539050 0.74316961246597 0.40667163627696 15.999 3 O 0.74316961246597 0.62274816539050 0.90667163627696 15.999 4 O 0.37725183460950 0.25683038753403 0.59332836372304 15.999 5 O 0.09460654471283 0.90539345528717 0.75000000000000 15.999 6 O 0.90539345528717 0.09460654471283 0.25000000000000 15.999 7 O 0.12550184846696 0.68230897710191 0.36935439349444 15.999 8 O 0.31769102289809 0.87449815153304 0.13064560650556 15.999 9 O 0.87449815153304 0.31769102289809 0.63064560650556 15.999 10 O 0.68230897710191 0.12550184846696 0.86935439349444 15.999 11 P 0.32968913012881 0.67031086987119 0.25000000000000 30.974 12 P 0.67031086987119 0.32968913012881 0.75000000000000 30.974 13 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 14 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.586914900174190 0.000000000000000 0.000000000000000 b 0.000000000000000 8.145931669999998 0.000000000000000 c -6.214040202696114 0.000000000000000 12.710601634155472 Atomic positions (fractional): 1 O 0.15852055553588 0.06021072353774 0.04666418186152 15.999 > 1 2 O 0.65852055553588 0.06021072353774 0.04666418186152 15.999 > 1 3 O 0.15852055553588 0.06021072353774 0.54666418186152 15.999 > 1 4 O 0.65852055553588 0.06021072353774 0.54666418186152 15.999 > 1 5 O 0.34147944446412 0.06021072353774 0.20333581813848 15.999 > 5 6 O 0.84147944446412 0.06021072353774 0.20333581813848 15.999 > 5 7 O 0.34147944446412 0.06021072353774 0.70333581813848 15.999 > 5 8 O 0.84147944446412 0.06021072353774 0.70333581813848 15.999 > 5 9 O 0.34147944446412 0.93978927646226 0.45333581813848 15.999 > 9 10 O 0.84147944446412 0.93978927646226 0.45333581813848 15.999 > 9 11 O 0.34147944446412 0.93978927646226 0.95333581813848 15.999 > 9 12 O 0.84147944446412 0.93978927646226 0.95333581813848 15.999 > 9 13 O 0.15852055553588 0.93978927646226 0.29666418186152 15.999 > 13 14 O 0.65852055553588 0.93978927646226 0.29666418186152 15.999 > 13 15 O 0.15852055553588 0.93978927646226 0.79666418186152 15.999 > 13 16 O 0.65852055553588 0.93978927646226 0.79666418186152 15.999 > 13 17 O 0.25000000000000 0.40539345528717 0.37500000000000 15.999 > 17 18 O 0.75000000000000 0.40539345528717 0.37500000000000 15.999 > 17 19 O 0.25000000000000 0.40539345528717 0.87500000000000 15.999 > 17 20 O 0.75000000000000 0.40539345528717 0.87500000000000 15.999 > 17 21 O 0.25000000000000 0.59460654471283 0.12500000000000 15.999 > 21 22 O 0.75000000000000 0.59460654471283 0.12500000000000 15.999 > 21 23 O 0.25000000000000 0.59460654471283 0.62500000000000 15.999 > 21 24 O 0.75000000000000 0.59460654471283 0.62500000000000 15.999 > 21 25 O 0.20195270639222 0.27840356431748 0.18467719674722 15.999 > 25 26 O 0.70195270639222 0.27840356431748 0.18467719674722 15.999 > 25 27 O 0.20195270639222 0.27840356431748 0.68467719674722 15.999 > 25 28 O 0.70195270639222 0.27840356431748 0.68467719674722 15.999 > 25 29 O 0.29804729360778 0.27840356431748 0.06532280325278 15.999 > 29 30 O 0.79804729360778 0.27840356431748 0.06532280325278 15.999 > 29 31 O 0.29804729360778 0.27840356431748 0.56532280325278 15.999 > 29 32 O 0.79804729360778 0.27840356431748 0.56532280325278 15.999 > 29 33 O 0.29804729360778 0.72159643568252 0.31532280325278 15.999 > 33 34 O 0.79804729360778 0.72159643568252 0.31532280325278 15.999 > 33 35 O 0.29804729360778 0.72159643568252 0.81532280325278 15.999 > 33 36 O 0.79804729360778 0.72159643568252 0.81532280325278 15.999 > 33 37 O 0.20195270639222 0.72159643568252 0.43467719674722 15.999 > 37 38 O 0.70195270639222 0.72159643568252 0.43467719674722 15.999 > 37 39 O 0.20195270639222 0.72159643568252 0.93467719674722 15.999 > 37 40 O 0.70195270639222 0.72159643568252 0.93467719674722 15.999 > 37 41 O 0.40852055553588 0.56021072353774 0.04666418186152 15.999 > 1 42 O 0.90852055553588 0.56021072353774 0.04666418186152 15.999 > 1 43 O 0.40852055553588 0.56021072353774 0.54666418186152 15.999 > 1 44 O 0.90852055553588 0.56021072353774 0.54666418186152 15.999 > 1 45 O 0.09147944446412 0.56021072353774 0.20333581813848 15.999 > 5 46 O 0.59147944446412 0.56021072353774 0.20333581813848 15.999 > 5 47 O 0.09147944446412 0.56021072353774 0.70333581813848 15.999 > 5 48 O 0.59147944446412 0.56021072353774 0.70333581813848 15.999 > 5 49 O 0.09147944446412 0.43978927646226 0.45333581813848 15.999 > 9 50 O 0.59147944446412 0.43978927646226 0.45333581813848 15.999 > 9 51 O 0.09147944446412 0.43978927646226 0.95333581813848 15.999 > 9 52 O 0.59147944446412 0.43978927646226 0.95333581813848 15.999 > 9 53 O 0.40852055553588 0.43978927646226 0.29666418186152 15.999 > 13 54 O 0.90852055553588 0.43978927646226 0.29666418186152 15.999 > 13 55 O 0.40852055553588 0.43978927646226 0.79666418186152 15.999 > 13 56 O 0.90852055553588 0.43978927646226 0.79666418186152 15.999 > 13 57 O 0.00000000000000 0.90539345528717 0.37500000000000 15.999 > 17 58 O 0.50000000000000 0.90539345528717 0.37500000000000 15.999 > 17 59 O 0.00000000000000 0.90539345528717 0.87500000000000 15.999 > 17 60 O 0.50000000000000 0.90539345528717 0.87500000000000 15.999 > 17 61 O 0.00000000000000 0.09460654471283 0.12500000000000 15.999 > 21 62 O 0.50000000000000 0.09460654471283 0.12500000000000 15.999 > 21 63 O 0.00000000000000 0.09460654471283 0.62500000000000 15.999 > 21 64 O 0.50000000000000 0.09460654471283 0.62500000000000 15.999 > 21 65 O 0.45195270639222 0.77840356431748 0.18467719674722 15.999 > 25 66 O 0.95195270639222 0.77840356431748 0.18467719674722 15.999 > 25 67 O 0.45195270639222 0.77840356431748 0.68467719674722 15.999 > 25 68 O 0.95195270639222 0.77840356431748 0.68467719674722 15.999 > 25 69 O 0.04804729360778 0.77840356431748 0.06532280325278 15.999 > 29 70 O 0.54804729360778 0.77840356431748 0.06532280325278 15.999 > 29 71 O 0.04804729360778 0.77840356431748 0.56532280325278 15.999 > 29 72 O 0.54804729360778 0.77840356431748 0.56532280325278 15.999 > 29 73 O 0.04804729360778 0.22159643568252 0.31532280325278 15.999 > 33 74 O 0.54804729360778 0.22159643568252 0.31532280325278 15.999 > 33 75 O 0.04804729360778 0.22159643568252 0.81532280325278 15.999 > 33 76 O 0.54804729360778 0.22159643568252 0.81532280325278 15.999 > 33 77 O 0.45195270639222 0.22159643568252 0.43467719674722 15.999 > 37 78 O 0.95195270639222 0.22159643568252 0.43467719674722 15.999 > 37 79 O 0.45195270639222 0.22159643568252 0.93467719674722 15.999 > 37 80 O 0.95195270639222 0.22159643568252 0.93467719674722 15.999 > 37 81 P 0.25000000000000 0.17031086987119 0.12500000000000 30.974 > 81 82 P 0.75000000000000 0.17031086987119 0.12500000000000 30.974 > 81 83 P 0.25000000000000 0.17031086987119 0.62500000000000 30.974 > 81 84 P 0.75000000000000 0.17031086987119 0.62500000000000 30.974 > 81 85 P 0.25000000000000 0.82968913012881 0.37500000000000 30.974 > 85 86 P 0.75000000000000 0.82968913012881 0.37500000000000 30.974 > 85 87 P 0.25000000000000 0.82968913012881 0.87500000000000 30.974 > 85 88 P 0.75000000000000 0.82968913012881 0.87500000000000 30.974 > 85 89 P 0.00000000000000 0.67031086987119 0.12500000000000 30.974 > 81 90 P 0.50000000000000 0.67031086987119 0.12500000000000 30.974 > 81 91 P 0.00000000000000 0.67031086987119 0.62500000000000 30.974 > 81 92 P 0.50000000000000 0.67031086987119 0.62500000000000 30.974 > 81 93 P 0.00000000000000 0.32968913012881 0.37500000000000 30.974 > 85 94 P 0.50000000000000 0.32968913012881 0.37500000000000 30.974 > 85 95 P 0.00000000000000 0.32968913012881 0.87500000000000 30.974 > 85 96 P 0.50000000000000 0.32968913012881 0.87500000000000 30.974 > 85 97 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 97 98 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 97 99 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 97 100 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 97 101 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 101 102 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 101 103 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 101 104 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 101 105 Sb 0.25000000000000 0.50000000000000 0.25000000000000 121.760 > 97 106 Sb 0.75000000000000 0.50000000000000 0.25000000000000 121.760 > 97 107 Sb 0.25000000000000 0.50000000000000 0.75000000000000 121.760 > 97 108 Sb 0.75000000000000 0.50000000000000 0.75000000000000 121.760 > 97 109 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 101 110 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 101 111 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 101 112 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1988029 0.0000000 0.0219567 0.0000000 3.2074309 0.0000000 0.0219562 0.0000000 3.4442236 -------------------------- Born effective charges -------------------------- 1 O -2.2214574 -0.8218144 -1.0257382 -0.6917116 -1.5522566 -0.6641627 -0.7594707 -0.6164985 -1.7823757 2 O -2.2214574 0.8218144 -1.0257382 0.6917116 -1.5522566 0.6641627 -0.7594707 0.6164985 -1.7823757 3 O -2.2214574 -0.8218144 -1.0257382 -0.6917116 -1.5522566 -0.6641627 -0.7594707 -0.6164985 -1.7823757 4 O -2.2214574 0.8218144 -1.0257382 0.6917116 -1.5522566 0.6641627 -0.7594707 0.6164985 -1.7823757 5 O -1.4505800 0.0000000 0.7604782 0.0000000 -1.1437289 0.0000000 0.5694499 0.0000000 -2.3331774 6 O -1.4505800 0.0000000 0.7604782 0.0000000 -1.1437289 0.0000000 0.5694499 0.0000000 -2.3331774 7 O -1.2808624 0.3160647 0.1861947 0.5998135 -2.1725515 -0.7289934 0.5134417 -0.6772362 -1.5706572 8 O -1.2808624 -0.3160647 0.1861947 -0.5998135 -2.1725515 0.7289934 0.5134417 0.6772362 -1.5706572 9 O -1.2808624 0.3160647 0.1861947 0.5998135 -2.1725515 -0.7289934 0.5134417 -0.6772362 -1.5706572 10 O -1.2808624 -0.3160647 0.1861947 -0.5998135 -2.1725515 0.7289934 0.5134417 0.6772362 -1.5706572 11 P 3.5645797 0.0000000 1.4248662 0.0000000 3.9618826 0.0000000 -0.4432264 0.0000000 3.6395212 12 P 3.5645797 0.0000000 1.4248662 0.0000000 3.9618826 0.0000000 -0.4432264 0.0000000 3.6395212 13 Sb 4.8906398 -0.6823462 -0.5062574 -1.2729940 4.6314626 0.5261485 0.3658346 -0.1817736 5.3997220 14 Sb 4.8906398 0.6823462 -0.5062574 1.2729940 4.6314626 -0.5261485 0.3658346 0.1817736 5.3997220 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000247 (yyy) 0.00000247 (yyy) 0.00000247 (yyy) 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 ... [ 10 10 8 ] 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: 0.74, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/227) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.436 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 12.388 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 15.334 ( 0.000 0.000 0.000) 0.000 15.694 ( 0.000 0.000 0.000) 0.000 15.880 ( 0.000 0.000 0.000) 0.000 16.446 ( 0.000 0.000 0.000) 0.000 16.578 ( 0.000 0.000 0.000) 0.000 16.903 ( 0.000 0.000 0.000) 0.000 18.130 ( 0.000 0.000 0.000) 0.000 18.681 ( 0.000 0.000 0.000) 0.000 22.483 ( 0.000 0.000 0.000) 0.000 24.203 ( 0.000 0.000 0.000) 0.000 29.075 ( 0.000 0.000 0.000) 0.000 29.371 ( 0.000 0.000 0.000) 0.000 29.382 ( 0.000 0.000 0.000) 0.000 29.853 ( 0.000 0.000 0.000) 0.000 30.264 ( 0.000 0.000 0.000) 0.000 30.561 ( 0.000 0.000 0.000) 0.000 30.891 ( 0.000 0.000 0.000) 0.000 32.160 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/227) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 24.630 -9.596 10.484) 28.437 0.753 ( 18.842 -30.033 10.737) 37.044 1.261 ( 47.493 -24.602 30.111) 61.380 2.300 ( 19.601 -10.586 13.107) 25.847 3.671 ( 3.003 -0.096 0.085) 3.005 3.942 ( -0.018 -4.740 -2.747) 5.479 4.196 ( 3.753 -5.215 4.383) 7.778 4.872 ( -1.049 -8.838 -10.682) 13.904 5.836 ( -2.739 0.976 4.445) 5.311 5.966 ( 7.443 0.853 4.338) 8.657 6.896 ( -22.875 -10.550 -17.366) 30.597 7.642 ( -7.173 -6.419 -2.883) 10.048 7.909 ( 0.483 3.148 1.363) 3.464 8.048 ( -5.003 -1.909 -10.064) 11.400 8.873 ( -0.938 -1.214 2.294) 2.759 9.035 ( 7.188 11.216 5.077) 14.256 9.428 ( -2.948 30.192 36.936) 47.797 10.032 ( 0.957 -0.807 -7.176) 7.284 10.273 ( -5.971 -13.451 12.165) 19.094 10.463 ( -1.840 1.603 -0.844) 2.582 11.185 ( 1.120 5.654 0.644) 5.800 11.517 ( 29.850 47.884 11.457) 57.578 12.419 ( 2.100 -2.177 0.251) 3.035 14.699 ( -19.533 -24.262 -9.213) 32.482 15.344 ( -0.603 -1.949 0.388) 2.076 15.781 ( -9.715 -0.477 1.630) 9.862 15.813 ( -11.812 -13.685 -10.018) 20.668 16.473 ( -2.384 1.543 1.340) 3.140 16.664 ( 5.188 -8.720 2.661) 10.490 16.928 ( 4.303 1.302 -0.927) 4.590 18.134 ( 3.532 3.200 -0.993) 4.869 18.846 ( 10.423 2.335 -9.897) 14.562 22.518 ( 2.396 -0.750 2.967) 3.886 24.203 ( 2.111 0.016 -4.572) 5.036 29.048 ( -1.424 2.560 0.530) 2.977 29.406 ( 3.466 -0.387 1.309) 3.725 29.562 ( -8.566 -20.573 -5.713) 23.006 29.850 ( 1.251 1.117 -1.465) 2.227 30.255 ( 0.017 0.973 -0.747) 1.227 30.854 ( 7.452 5.953 5.087) 10.810 32.089 ( -5.675 4.283 -0.353) 7.119 34.359 ( 3.756 20.868 27.631) 34.829 ======================= Grid point 2 (3/227) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 20.595 -5.359 4.583) 21.769 1.427 ( 15.448 -25.333 11.202) 31.715 2.366 ( 37.289 -13.415 29.996) 49.701 2.845 ( 15.978 -11.276 17.804) 26.447 3.758 ( 6.237 -5.531 0.604) 8.358 4.082 ( 7.719 -13.931 -3.402) 16.286 4.392 ( 6.938 -7.686 4.071) 11.126 4.874 ( -2.282 -11.130 -16.524) 20.053 5.811 ( -1.960 0.800 1.932) 2.866 6.124 ( 7.611 1.793 7.238) 10.655 6.568 ( -16.381 -8.587 -13.865) 23.116 7.583 ( -8.917 -6.617 -3.733) 11.715 7.771 ( -6.849 8.837 -5.893) 12.639 7.922 ( -4.461 -0.212 -5.758) 7.287 8.904 ( 0.068 0.962 3.462) 3.594 8.999 ( 4.904 21.885 12.821) 25.834 9.278 ( -3.289 9.681 9.162) 13.729 10.006 ( 0.587 0.270 -4.909) 4.951 10.357 ( -2.734 3.835 2.289) 5.237 10.472 ( -0.331 -8.990 4.387) 10.009 11.123 ( 1.534 8.493 1.402) 8.744 11.412 ( 4.948 17.041 -0.737) 17.760 12.493 ( 3.049 -2.792 0.193) 4.138 14.638 ( -7.082 -7.753 -6.090) 12.139 15.365 ( -1.374 -2.770 0.759) 3.184 15.667 ( -6.366 -2.004 -0.250) 6.679 15.755 ( -7.185 -4.250 0.280) 8.352 16.393 ( -7.229 -1.611 -0.769) 7.446 16.864 ( 4.602 -4.178 4.392) 7.611 16.977 ( 6.047 0.716 -2.158) 6.460 18.137 ( 4.762 4.934 -1.261) 6.972 18.923 ( 4.649 -4.045 -3.178) 6.933 22.605 ( 3.667 -1.106 4.757) 6.107 24.201 ( 0.982 -0.093 -2.600) 2.781 28.993 ( -1.794 2.367 0.416) 2.999 29.481 ( 4.778 0.377 1.603) 5.054 29.689 ( -1.490 -15.161 -0.222) 15.236 29.845 ( 1.807 1.642 -1.396) 2.813 30.233 ( -0.150 1.117 -0.834) 1.402 30.953 ( 6.594 0.396 3.713) 7.578 31.892 ( -10.271 6.588 -2.492) 12.455 34.353 ( 2.008 8.894 9.461) 13.140 ======================= Grid point 3 (4/227) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 13.570 -0.205 -0.868) 13.599 1.975 ( 11.244 -18.829 9.196) 23.781 2.925 ( 6.218 1.362 19.040) 20.076 3.335 ( 13.888 -9.878 20.729) 26.836 3.991 ( 8.304 -9.239 -2.056) 12.591 4.460 ( 12.732 -16.186 8.301) 22.203 4.630 ( 12.305 -10.948 -5.812) 17.465 4.862 ( 0.407 -8.938 -13.774) 16.425 5.797 ( -0.378 -0.189 0.732) 0.846 6.133 ( -3.217 -0.529 -4.511) 5.566 6.587 ( 5.271 -7.967 5.835) 11.194 7.411 ( -9.591 4.722 -12.323) 16.314 7.567 ( -6.409 -0.725 -1.025) 6.530 7.832 ( -5.032 -2.173 -3.528) 6.518 8.668 ( -6.390 30.227 8.157) 31.954 9.013 ( -0.386 -5.033 4.352) 6.664 9.250 ( 2.303 3.460 2.642) 4.925 9.976 ( 0.174 -0.689 -4.623) 4.677 10.253 ( -2.783 6.818 0.900) 7.419 10.611 ( 1.422 -6.671 2.832) 7.385 11.040 ( 0.352 9.619 2.009) 9.833 11.255 ( -3.031 6.054 -4.798) 8.299 12.567 ( 2.685 -1.969 -0.071) 3.331 14.609 ( -1.344 -3.278 -3.281) 4.829 15.374 ( -2.371 -2.008 1.042) 3.277 15.625 ( -3.104 -2.379 -1.861) 4.331 15.725 ( -4.325 -2.241 4.789) 6.831 16.310 ( -5.911 -1.830 -0.730) 6.231 16.933 ( 1.308 0.813 0.527) 1.628 17.064 ( 4.844 -1.441 -0.405) 5.070 18.136 ( 3.894 4.324 -0.839) 5.879 19.024 ( 2.907 -5.176 -0.849) 5.997 22.707 ( 3.405 -0.960 4.702) 5.884 24.198 ( 0.537 -0.130 -1.705) 1.793 28.955 ( -1.090 0.577 0.309) 1.271 29.557 ( 5.374 1.348 1.947) 5.872 29.838 ( -0.528 -7.883 -2.141) 8.186 29.845 ( 0.287 -0.601 1.929) 2.041 30.246 ( 2.359 -2.460 1.877) 3.891 31.075 ( 8.239 2.192 2.970) 9.028 31.607 ( -13.757 4.994 -5.941) 15.795 34.335 ( 0.866 4.794 3.332) 5.902 ======================= Grid point 4 (5/227) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 6.145 1.882 -2.256) 6.812 2.317 ( 4.538 -9.514 3.571) 11.129 3.059 ( 0.724 -0.418 13.663) 13.689 3.667 ( 3.287 -4.456 12.628) 13.789 4.081 ( 1.177 -2.842 -10.826) 11.255 4.744 ( 2.915 -4.479 8.019) 9.636 4.916 ( 4.394 -4.549 -3.311) 7.139 5.051 ( 17.228 -15.234 -3.313) 23.235 5.824 ( 2.526 -1.258 -0.058) 2.822 6.087 ( -2.857 -2.943 -3.019) 5.093 6.817 ( 5.762 -2.361 9.575) 11.421 7.167 ( -1.586 4.479 -8.985) 10.164 7.514 ( -3.325 -3.072 -1.741) 4.851 7.786 ( -5.816 -7.585 -3.502) 10.180 8.229 ( -8.834 25.881 3.441) 27.563 9.105 ( -0.348 -6.697 1.459) 6.863 9.253 ( 1.764 4.430 2.158) 5.234 9.974 ( 0.543 -3.717 -4.205) 5.639 10.133 ( -1.956 8.228 1.661) 8.619 10.713 ( 2.201 -3.603 0.781) 4.294 10.923 ( -4.035 5.779 0.581) 7.073 11.142 ( -1.064 2.698 -2.618) 3.907 12.615 ( 1.498 -0.834 -0.174) 1.723 14.622 ( 0.708 -1.594 -1.203) 2.119 15.362 ( -2.059 -0.697 0.796) 2.315 15.597 ( -1.442 -1.026 -1.902) 2.598 15.741 ( -2.007 -1.814 3.898) 4.745 16.260 ( -2.833 -0.938 0.067) 2.985 16.930 ( 0.549 1.054 -0.831) 1.450 17.125 ( 1.897 -0.758 -0.008) 2.043 18.134 ( 2.068 2.369 -0.372) 3.166 19.109 ( 1.565 -3.314 -0.058) 3.665 22.785 ( 1.969 -0.510 2.874) 3.521 24.196 ( 0.246 -0.094 -0.871) 0.910 28.949 ( -0.277 -0.596 0.226) 0.695 29.639 ( 6.678 2.266 2.484) 7.477 29.828 ( -5.113 -2.466 -1.098) 5.782 29.863 ( -0.338 -0.230 -1.279) 1.343 30.411 ( 5.420 -7.848 6.174) 11.361 31.147 ( 11.221 15.060 0.093) 18.781 31.325 ( -16.588 -7.330 -6.077) 19.127 34.313 ( 0.166 2.323 0.937) 2.510 ======================= Grid point 5 (6/227) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 -0.000 -0.000) 0.000 2.412 ( 0.000 -0.000 0.000) 0.000 3.134 ( 0.000 -0.000 0.000) 0.000 3.759 ( 0.000 -0.000 0.000) 0.000 4.045 ( 0.000 -0.000 -0.000) 0.000 4.821 ( 0.000 -0.000 0.000) 0.000 4.973 ( 0.000 -0.000 -0.000) 0.000 5.280 ( 0.000 -0.000 0.000) 0.000 5.868 ( 0.000 -0.000 0.000) 0.000 6.064 ( 0.000 0.000 -0.000) 0.000 6.890 ( 0.000 -0.000 -0.000) 0.000 7.137 ( 0.000 -0.000 0.000) 0.000 7.509 ( 0.000 -0.000 -0.000) 0.000 7.785 ( 0.000 -0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 9.164 ( 0.000 -0.000 -0.000) 0.000 9.233 ( 0.000 -0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 -0.000 -0.000) 0.000 10.773 ( -0.000 -0.000 0.000) 0.000 10.833 ( 0.000 -0.000 -0.000) 0.000 11.111 ( 0.000 -0.000 0.000) 0.000 12.630 ( 0.000 -0.000 0.000) 0.000 14.636 ( 0.000 -0.000 -0.000) 0.000 15.352 ( 0.000 -0.000 0.000) 0.000 15.585 ( 0.000 -0.000 -0.000) 0.000 15.752 ( 0.000 -0.000 0.000) 0.000 16.246 ( 0.000 -0.000 -0.000) 0.000 16.923 ( 0.000 -0.000 0.000) 0.000 17.143 ( 0.000 -0.000 0.000) 0.000 18.134 ( 0.000 -0.000 -0.000) 0.000 19.142 ( 0.000 -0.000 -0.000) 0.000 22.813 ( 0.000 -0.000 0.000) 0.000 24.195 ( 0.000 -0.000 0.000) 0.000 28.954 ( 0.000 -0.000 0.000) 0.000 29.722 ( -0.000 -0.000 -0.000) 0.000 29.753 ( 0.000 0.000 0.000) 0.000 29.860 ( 0.000 -0.000 0.000) 0.000 30.565 ( 0.000 -0.000 -0.000) 0.000 31.055 ( 0.000 -0.000 0.000) 0.000 31.271 ( -0.000 -0.000 -0.000) 0.000 34.302 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/227) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 24.797 -0.000 12.462) 27.752 1.116 ( 33.814 -0.000 17.597) 38.118 2.126 ( 47.729 -0.000 33.649) 58.398 2.722 ( 26.045 -0.000 18.646) 32.032 3.754 ( 8.937 -0.000 -3.927) 9.762 3.845 ( -1.690 0.000 -4.515) 4.821 4.289 ( 6.174 -0.000 10.321) 12.027 4.734 ( 2.265 -0.000 -17.548) 17.694 5.823 ( -3.906 0.000 4.236) 5.762 6.155 ( 10.970 -0.000 9.453) 14.481 6.421 ( -17.854 0.000 -16.018) 23.987 7.476 ( -7.118 0.000 -4.508) 8.426 7.903 ( -4.092 0.000 -1.850) 4.491 7.906 ( -6.649 0.000 -8.747) 10.987 8.856 ( -2.141 0.000 2.535) 3.318 9.207 ( 7.266 -0.000 1.558) 7.431 9.721 ( -12.568 0.000 22.216) 25.525 10.000 ( -0.625 0.000 -3.796) 3.847 10.212 ( 0.898 -0.000 11.453) 11.488 10.422 ( -4.514 0.000 0.412) 4.533 11.234 ( 1.034 -0.000 0.929) 1.390 11.833 ( -12.663 0.000 -15.301) 19.861 12.461 ( 3.828 -0.000 0.124) 3.830 14.385 ( 2.438 -0.000 -0.211) 2.447 15.334 ( -0.140 0.000 0.130) 0.191 15.639 ( -1.976 0.000 -2.670) 3.322 15.648 ( -8.626 0.000 4.916) 9.929 16.405 ( -7.108 0.000 -0.915) 7.166 16.769 ( 8.687 -0.000 7.828) 11.694 16.980 ( 3.371 -0.000 -2.756) 4.354 18.214 ( 3.975 -0.000 2.170) 4.529 18.880 ( 5.047 -0.000 -10.868) 11.983 22.588 ( 2.904 -0.000 6.863) 7.452 24.199 ( 1.522 -0.000 -3.873) 4.161 29.171 ( 3.842 -0.000 5.039) 6.337 29.320 ( -1.186 0.000 -3.060) 3.282 29.483 ( 5.096 -0.000 1.697) 5.372 29.869 ( 2.065 -0.000 -1.873) 2.788 30.260 ( 0.174 -0.000 -1.052) 1.066 30.932 ( 1.774 -0.000 1.395) 2.257 32.028 ( -6.066 0.000 -4.971) 7.843 34.517 ( -10.710 0.000 14.705) 18.191 ======================= Grid point 13 (8/227) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 18.617 1.769 10.385) 21.391 1.747 ( 30.215 -1.327 18.589) 35.501 2.981 ( 26.570 -1.577 25.729) 37.019 3.144 ( 13.508 -1.235 16.955) 21.713 3.850 ( 14.208 -0.920 -1.649) 14.333 4.022 ( 16.107 -14.520 -6.140) 22.538 4.498 ( 7.998 -2.266 11.704) 14.356 4.673 ( 3.503 -4.661 -17.978) 18.900 5.791 ( -3.657 -0.112 3.156) 4.832 6.106 ( -10.206 -1.686 -12.686) 16.369 6.442 ( 13.569 -2.687 11.856) 18.218 7.344 ( -8.993 -3.701 -6.348) 11.614 7.696 ( -8.356 4.336 -8.398) 12.615 7.805 ( -5.972 0.207 -3.266) 6.810 8.861 ( -2.193 -3.779 1.439) 4.600 9.297 ( 6.155 2.813 0.771) 6.811 9.477 ( -12.373 25.651 13.151) 31.369 9.955 ( -3.763 -2.420 -3.978) 5.987 10.335 ( -4.784 0.122 3.555) 5.962 10.397 ( -0.360 -8.925 7.696) 11.791 11.229 ( 0.651 4.812 0.551) 4.887 11.441 ( -11.227 6.567 -19.053) 23.069 12.529 ( 4.239 -0.910 0.119) 4.337 14.471 ( 1.695 -6.044 -1.341) 6.418 15.336 ( -0.509 -0.726 0.583) 1.061 15.581 ( -2.613 0.021 -0.364) 2.639 15.652 ( -2.744 -3.558 7.141) 8.437 16.307 ( -4.584 0.854 0.614) 4.703 16.930 ( 3.411 -0.971 5.245) 6.331 16.999 ( 1.887 -2.151 -3.576) 4.580 18.266 ( 4.268 4.325 1.858) 6.354 18.897 ( 3.173 -3.786 -6.280) 7.990 22.689 ( 2.481 -0.430 8.372) 8.742 24.194 ( 0.929 -0.111 -2.764) 2.918 29.105 ( 2.075 11.909 1.484) 12.179 29.479 ( 0.646 -15.303 1.832) 15.426 29.586 ( 5.935 -1.520 2.605) 6.657 29.884 ( 2.722 1.229 -1.955) 3.569 30.245 ( 0.613 1.174 -1.705) 2.159 30.992 ( 1.300 -4.412 1.052) 4.718 31.837 ( -6.618 8.100 -6.470) 12.299 34.436 ( -6.797 2.718 6.643) 9.885 ======================= Grid point 14 (9/227) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 10.581 7.982 7.449) 15.204 2.276 ( 26.337 3.621 14.925) 30.488 3.113 ( -0.414 5.000 8.136) 9.558 3.589 ( 13.621 -2.699 16.440) 21.520 4.060 ( 11.572 2.193 -5.805) 13.131 4.545 ( 22.573 -18.821 2.578) 29.503 4.675 ( 8.094 -6.771 -3.844) 11.231 4.771 ( 7.589 -5.078 2.543) 9.478 5.778 ( -2.353 -1.868 2.953) 4.212 5.978 ( -2.795 -5.094 -8.695) 10.457 6.768 ( 13.551 -0.796 12.184) 18.241 7.207 ( -6.352 -2.521 -9.110) 11.388 7.492 ( -6.454 1.402 -3.886) 7.663 7.696 ( -5.392 0.236 -1.905) 5.723 8.897 ( -1.557 -2.370 -1.000) 3.007 8.979 ( -14.914 26.461 5.806) 30.925 9.344 ( 3.327 2.578 0.393) 4.227 9.900 ( -4.090 -3.391 -4.166) 6.751 10.261 ( -4.872 2.157 3.162) 6.196 10.565 ( -0.003 -8.266 6.639) 10.603 11.023 ( -11.108 3.983 -12.871) 17.462 11.247 ( 0.620 3.443 -3.376) 4.862 12.596 ( 3.370 -0.610 -0.198) 3.431 14.550 ( 1.994 -3.862 -0.981) 4.456 15.344 ( -0.453 -0.660 1.144) 1.396 15.550 ( -1.156 -1.310 -2.854) 3.347 15.730 ( 1.212 -0.155 9.475) 9.553 16.267 ( -1.041 0.905 2.644) 2.982 16.938 ( -0.690 -0.049 -4.062) 4.120 17.061 ( -0.120 -3.666 2.226) 4.291 18.259 ( 3.189 6.830 0.780) 7.578 18.972 ( 1.852 -6.930 -2.870) 7.726 22.778 ( 0.836 -0.116 7.778) 7.824 24.190 ( 0.619 -0.247 -1.968) 2.078 29.025 ( 2.477 7.295 0.337) 7.711 29.642 ( 3.083 -4.492 3.528) 6.491 29.722 ( 1.044 -5.720 1.811) 6.090 29.887 ( 1.966 2.250 -0.663) 3.061 30.264 ( 3.616 -2.559 0.072) 4.431 31.054 ( -5.695 -8.648 -2.446) 10.640 31.590 ( 0.269 14.167 -5.635) 15.249 34.358 ( -4.942 1.164 2.227) 5.545 ======================= Grid point 15 (10/227) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 3.736 11.414 7.189) 13.997 2.619 ( 22.753 13.864 8.907) 28.093 3.134 ( 2.630 0.874 1.900) 3.360 3.855 ( 13.367 5.287 7.508) 16.217 4.042 ( 1.494 1.747 -9.399) 9.676 4.795 ( 0.450 -4.678 7.806) 9.111 4.925 ( 4.471 -0.720 2.359) 5.106 5.105 ( 15.399 -13.458 -0.960) 20.474 5.808 ( -2.986 -3.971 4.132) 6.462 5.994 ( 2.898 -5.243 -5.859) 8.379 6.912 ( 1.345 1.976 -1.747) 2.960 7.152 ( -0.179 0.361 -1.177) 1.244 7.454 ( 0.203 -4.956 1.303) 5.128 7.642 ( -0.595 -1.161 1.169) 1.752 8.430 ( -10.562 26.237 0.899) 28.298 8.978 ( -1.509 -9.384 -1.377) 9.603 9.337 ( 0.817 3.557 -0.754) 3.727 9.871 ( -3.637 -6.019 -3.352) 7.790 10.185 ( -3.653 4.520 4.006) 7.059 10.692 ( -0.308 -5.901 4.867) 7.656 10.770 ( -9.556 -2.789 -10.275) 14.306 11.196 ( 1.161 4.403 -1.553) 4.811 12.634 ( 1.782 0.302 -0.446) 1.862 14.608 ( 1.287 -2.033 -0.159) 2.412 15.355 ( 0.642 0.151 0.965) 1.169 15.542 ( 0.202 -2.115 -2.876) 3.576 15.808 ( 3.932 3.584 6.600) 8.478 16.282 ( 2.113 2.175 3.642) 4.740 16.893 ( -2.302 -2.319 -5.099) 6.056 17.099 ( -2.250 -2.898 2.344) 4.354 18.215 ( 1.434 6.235 0.335) 6.406 19.060 ( 0.454 -6.335 -1.308) 6.484 22.820 ( -1.401 0.479 5.519) 5.714 24.190 ( 0.399 -0.326 -1.173) 1.281 29.002 ( 3.518 4.204 0.009) 5.481 29.709 ( -5.447 -0.378 -2.017) 5.820 29.764 ( 3.817 -1.143 4.994) 6.389 29.894 ( 3.407 2.420 -0.600) 4.222 30.428 ( 5.619 -8.028 4.842) 10.931 30.931 ( -16.638 -6.362 -9.556) 20.215 31.496 ( 11.905 12.568 -0.597) 17.322 34.295 ( -4.237 -0.627 0.221) 4.289 ======================= Grid point 16 (11/227) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -0.758 11.277 9.914) 15.034 2.740 ( 17.511 22.692 4.047) 28.947 3.132 ( 5.210 5.316 -9.955) 12.430 3.815 ( 0.029 7.136 -15.731) 17.274 4.146 ( 8.624 1.980 12.664) 15.449 4.864 ( -0.823 2.442 5.799) 6.346 4.938 ( -2.272 -0.323 -1.584) 2.789 5.270 ( -2.897 2.175 1.899) 4.090 5.809 ( -6.196 -2.777 3.960) 7.861 6.097 ( 6.783 -2.500 -2.462) 7.637 6.850 ( -1.389 0.898 -8.862) 9.015 7.104 ( -2.949 -0.553 2.995) 4.239 7.556 ( 2.546 -1.104 6.290) 6.875 7.773 ( 7.328 -9.571 0.554) 12.067 8.082 ( -1.985 16.154 0.785) 16.294 9.060 ( -1.194 -7.818 -1.701) 8.089 9.270 ( -1.494 3.152 -4.110) 5.390 9.900 ( -2.772 -9.419 -1.997) 10.020 10.102 ( -2.165 6.029 4.641) 7.910 10.664 ( -7.475 -8.106 -2.343) 11.272 10.782 ( 1.621 -3.595 -0.749) 4.014 11.162 ( 1.867 3.077 0.065) 3.599 12.637 ( 0.212 1.004 -0.318) 1.074 14.632 ( -0.108 -0.477 0.638) 0.804 15.379 ( 2.678 0.647 0.251) 2.766 15.565 ( 1.268 -2.450 -1.745) 3.264 15.845 ( 4.711 5.844 1.569) 7.669 16.322 ( 4.931 3.706 3.493) 7.089 16.866 ( -2.823 -4.417 -3.091) 6.086 17.101 ( -3.772 -2.035 1.921) 4.697 18.160 ( -0.364 4.295 0.359) 4.325 19.109 ( -1.019 -3.445 -0.934) 3.712 22.804 ( -3.490 0.967 2.465) 4.381 24.193 ( 0.177 -0.303 -0.344) 0.491 29.013 ( 4.252 3.838 -0.061) 5.728 29.592 ( -7.132 -0.424 -2.704) 7.639 29.846 ( -0.593 -1.390 3.002) 3.361 29.927 ( 8.011 4.508 0.689) 9.218 30.560 ( -3.324 3.167 -4.149) 6.188 30.746 ( -9.105 -14.538 -0.597) 17.164 31.555 ( 13.240 9.564 0.901) 16.358 34.252 ( -4.180 -2.551 -0.577) 4.930 ======================= Grid point 17 (12/227) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -5.446 11.192 11.741) 17.111 2.600 ( 6.209 28.982 -3.490) 29.844 3.026 ( 4.492 9.967 -15.918) 19.311 3.547 ( -6.903 7.529 -18.169) 20.844 4.226 ( -1.178 8.408 3.517) 9.189 4.737 ( -1.773 10.279 -8.048) 13.175 4.940 ( -5.023 4.183 8.896) 11.039 5.086 ( -5.690 12.280 12.098) 18.153 5.786 ( -3.462 -1.484 3.353) 5.042 6.159 ( 2.503 1.458 -2.181) 3.626 6.743 ( -0.811 3.551 -4.961) 6.155 7.214 ( 5.855 -6.749 8.706) 12.475 7.660 ( 6.126 2.321 6.782) 9.429 7.882 ( -2.676 -1.182 -4.391) 5.277 8.096 ( 8.730 -10.482 -0.281) 13.644 9.065 ( -5.158 -2.360 -3.381) 6.603 9.195 ( -0.106 -0.517 -6.056) 6.079 9.962 ( -2.976 -7.226 -0.676) 7.844 10.083 ( 1.229 0.060 5.220) 5.363 10.674 ( -4.003 -5.328 1.615) 6.857 10.814 ( -0.704 -4.762 -4.807) 6.803 11.189 ( 3.139 0.154 1.380) 3.433 12.614 ( -0.805 1.763 0.073) 1.940 14.640 ( 0.302 0.051 2.024) 2.047 15.417 ( 3.889 1.348 -0.482) 4.144 15.614 ( 1.948 -2.657 -0.175) 3.300 15.827 ( 4.227 5.868 -3.531) 8.048 16.394 ( 7.922 4.444 4.161) 9.991 16.869 ( -2.859 -4.852 -1.079) 5.734 17.060 ( -6.010 -0.887 1.034) 6.162 18.106 ( -1.967 2.086 0.574) 2.924 19.099 ( -2.182 0.177 -0.858) 2.351 22.734 ( -4.865 1.252 -0.296) 5.033 24.197 ( -0.073 -0.203 0.445) 0.494 29.025 ( 4.748 4.957 0.127) 6.865 29.496 ( -5.972 -2.930 -2.505) 7.108 29.840 ( -1.531 0.395 0.492) 1.656 29.997 ( 5.454 4.369 1.577) 7.164 30.347 ( -6.538 4.184 -6.571) 10.170 30.861 ( -4.394 -10.864 2.287) 11.940 31.662 ( 13.592 6.154 1.663) 15.013 34.221 ( -5.187 -4.372 -1.365) 6.919 ======================= Grid point 18 (13/227) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -11.099 13.981 8.321) 19.695 2.192 ( -4.947 32.721 -7.280) 33.884 2.684 ( -11.685 14.460 -22.787) 29.409 3.213 ( -3.843 16.104 -14.560) 22.047 3.987 ( -8.161 11.091 -5.360) 14.777 4.474 ( -5.107 16.458 -5.148) 17.985 4.678 ( -11.623 15.665 9.612) 21.746 5.172 ( 10.144 10.390 16.295) 21.826 5.786 ( -1.242 -1.099 1.582) 2.292 6.106 ( -3.639 1.087 -6.667) 7.673 6.743 ( 9.411 4.950 7.968) 13.288 7.513 ( 9.025 -10.526 9.166) 16.621 7.727 ( 5.315 4.461 -2.046) 7.234 7.898 ( 1.982 -3.339 5.548) 6.772 8.331 ( -0.335 -20.520 -8.890) 22.366 8.966 ( -4.617 -1.060 -5.773) 7.468 9.178 ( 0.440 -1.656 -4.332) 4.658 9.992 ( -0.950 -2.425 2.912) 3.907 10.181 ( 1.014 -6.499 2.053) 6.890 10.645 ( -1.838 4.071 0.187) 4.470 10.862 ( -1.923 -11.308 -3.200) 11.909 11.219 ( -1.432 -1.234 -2.381) 3.040 12.572 ( -1.073 3.149 0.331) 3.343 14.693 ( 3.752 -0.831 4.297) 5.765 15.441 ( 3.186 2.817 -0.766) 4.321 15.679 ( 2.029 -2.250 0.871) 3.152 15.812 ( 6.475 2.503 -4.701) 8.384 16.496 ( 9.267 5.280 4.188) 11.459 16.875 ( -3.645 -4.358 -0.259) 5.688 16.955 ( -8.804 0.735 -0.367) 8.843 18.062 ( -3.129 -0.168 1.045) 3.303 19.033 ( -2.849 3.417 -0.561) 4.484 22.635 ( -5.004 1.346 -1.797) 5.484 24.202 ( -0.333 -0.084 1.062) 1.116 29.043 ( 5.754 4.863 0.866) 7.583 29.444 ( -4.379 -3.016 -1.983) 5.675 29.816 ( -1.498 -0.219 0.170) 1.524 29.953 ( -1.245 6.141 -2.084) 6.603 30.250 ( 1.524 3.034 1.046) 3.553 30.875 ( -6.597 -4.589 -1.957) 8.270 31.830 ( 13.220 1.035 1.248) 13.319 34.175 ( -7.571 -5.668 -3.227) 9.993 ======================= Grid point 19 (14/227) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -14.234 18.642 0.184) 23.456 1.522 ( -20.970 30.622 -14.220) 39.745 2.135 ( -2.793 37.056 -9.130) 38.267 2.736 ( -13.230 22.948 -12.377) 29.237 3.780 ( 0.088 7.562 -3.213) 8.217 4.164 ( -6.282 15.202 2.061) 16.578 4.418 ( -5.041 12.795 0.605) 13.765 5.242 ( 7.548 17.726 12.027) 22.712 5.799 ( -0.651 -2.113 0.135) 2.215 5.954 ( -5.967 0.466 -7.838) 9.862 7.009 ( 16.689 0.444 14.204) 21.919 7.708 ( 1.727 -2.048 -6.656) 7.175 7.796 ( 3.934 -5.156 4.883) 8.118 8.058 ( 7.005 -2.360 11.465) 13.642 8.462 ( -6.713 -22.820 -12.108) 26.691 8.895 ( -1.548 -0.752 -4.215) 4.553 9.174 ( 0.081 -1.832 -5.757) 6.042 10.048 ( 1.988 -0.689 5.721) 6.095 10.259 ( -2.994 -7.342 -2.527) 8.322 10.558 ( 0.667 6.600 -1.196) 6.741 10.960 ( -2.507 -10.227 -1.379) 10.620 11.107 ( -9.894 -0.881 -7.164) 12.247 12.512 ( -0.830 4.530 0.176) 4.608 14.832 ( 6.861 -2.476 5.000) 8.843 15.430 ( 1.761 3.965 -0.452) 4.362 15.747 ( 3.013 -2.784 0.745) 4.169 15.920 ( 11.156 -2.122 -0.506) 11.367 16.571 ( 6.278 6.492 2.508) 9.373 16.775 ( -12.609 0.423 -1.226) 12.675 16.874 ( -1.360 -1.684 -0.258) 2.180 18.039 ( -3.215 -2.383 1.600) 4.310 18.928 ( -3.248 5.825 -0.056) 6.669 22.542 ( -3.452 1.208 -1.571) 3.980 24.204 ( -0.516 0.017 1.277) 1.377 29.090 ( 6.194 3.953 1.848) 7.577 29.401 ( -3.118 -1.175 -1.580) 3.688 29.810 ( -0.331 -1.461 -0.897) 1.746 29.864 ( 0.930 5.184 1.591) 5.502 30.270 ( 2.976 3.091 3.478) 5.523 30.764 ( -8.875 -0.888 -5.745) 10.610 32.019 ( 10.370 -1.662 -0.092) 10.503 34.079 ( -10.168 -5.337 -6.492) 13.191 ======================= Grid point 20 (15/227) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.000 22.577 -0.000) 22.577 0.829 ( -0.000 34.588 -0.000) 34.588 1.494 ( -0.000 57.007 -0.000) 57.007 2.289 ( -0.000 19.616 -0.000) 19.616 3.694 ( -0.000 6.031 -0.000) 6.031 3.998 ( -0.000 6.075 -0.000) 6.075 4.237 ( -0.000 9.695 -0.000) 9.695 5.115 ( -0.000 18.173 -0.000) 18.173 5.820 ( 0.000 -2.087 0.000) 2.087 5.875 ( 0.000 -0.412 0.000) 0.412 7.262 ( 0.000 -2.816 0.000) 2.816 7.716 ( 0.000 -3.174 0.000) 3.174 7.873 ( 0.000 -2.384 0.000) 2.384 8.318 ( 0.000 -7.139 0.000) 7.139 8.516 ( 0.000 -15.288 0.000) 15.288 8.877 ( -0.000 0.001 -0.000) 0.001 9.120 ( -0.000 3.006 -0.000) 3.006 10.112 ( -0.000 3.587 -0.000) 3.587 10.282 ( 0.000 -11.215 0.000) 11.215 10.503 ( -0.000 4.749 -0.000) 4.749 10.825 ( -0.000 8.446 -0.000) 8.446 11.106 ( 0.000 -8.513 0.000) 8.513 12.448 ( -0.000 4.366 -0.000) 4.366 14.970 ( 0.000 -4.579 0.000) 4.579 15.394 ( -0.000 3.873 -0.000) 3.873 15.829 ( 0.000 -3.870 0.000) 3.870 16.131 ( 0.000 -7.176 0.000) 7.176 16.557 ( -0.000 6.682 -0.000) 6.682 16.603 ( -0.000 1.765 -0.000) 1.765 16.888 ( 0.000 -1.529 0.000) 1.529 18.056 ( 0.000 -3.883 0.000) 3.883 18.806 ( -0.000 7.866 -0.000) 7.866 22.495 ( -0.000 0.903 -0.000) 0.903 24.204 ( -0.000 0.087 -0.000) 0.087 29.115 ( -0.000 2.989 -0.000) 2.989 29.374 ( 0.000 -0.027 0.000) 0.027 29.827 ( 0.000 -1.855 0.000) 1.855 29.889 ( 0.000 -0.404 0.000) 0.404 30.292 ( -0.000 2.402 -0.000) 2.402 30.599 ( -0.000 3.032 -0.000) 3.032 32.133 ( 0.000 -1.980 0.000) 1.980 33.963 ( 0.000 -0.510 0.000) 0.510 ======================= Grid point 23 (16/227) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 14.397 -0.000 11.758) 18.588 2.337 ( 26.566 -0.000 21.664) 34.280 3.250 ( 0.986 -0.000 3.552) 3.686 3.518 ( 18.989 -0.000 20.174) 27.705 4.149 ( 23.393 -0.000 -12.832) 26.681 4.207 ( 25.128 -0.000 8.911) 26.661 4.566 ( 4.413 -0.000 -17.102) 17.662 4.721 ( 8.960 -0.000 15.717) 18.092 5.752 ( -4.553 0.000 3.752) 5.900 5.901 ( -3.493 0.000 -10.252) 10.831 6.768 ( 17.444 -0.000 14.563) 22.724 7.150 ( -7.372 0.000 -7.139) 10.262 7.508 ( -11.186 0.000 -7.578) 13.511 7.730 ( -2.596 0.000 -1.849) 3.187 8.798 ( -2.845 0.000 -0.687) 2.927 9.369 ( 1.844 -0.000 -0.583) 1.934 9.568 ( -14.800 0.000 9.213) 17.433 9.747 ( -10.240 0.000 -7.440) 12.657 10.286 ( -5.653 0.000 3.454) 6.625 10.398 ( -0.196 0.000 10.653) 10.655 11.097 ( -12.600 0.000 -25.532) 28.472 11.278 ( 0.574 -0.000 -0.237) 0.621 12.588 ( 4.255 -0.000 -0.066) 4.256 14.488 ( 4.089 -0.000 0.439) 4.112 15.336 ( 0.315 -0.000 0.985) 1.034 15.540 ( -0.895 0.000 -3.850) 3.952 15.725 ( 3.243 -0.000 14.665) 15.019 16.280 ( -1.073 0.000 2.088) 2.347 16.937 ( -1.771 0.000 -7.483) 7.690 17.004 ( 0.651 -0.000 5.735) 5.772 18.376 ( 3.305 -0.000 3.887) 5.102 18.856 ( 1.807 -0.000 -6.795) 7.032 22.777 ( 0.434 -0.000 9.824) 9.834 24.187 ( 0.780 -0.000 -2.446) 2.567 29.238 ( -0.393 0.000 -4.154) 4.173 29.412 ( 4.507 -0.000 9.326) 10.358 29.686 ( 5.256 -0.000 3.452) 6.288 29.922 ( 2.858 -0.000 -1.752) 3.353 30.252 ( 2.316 -0.000 -3.253) 3.993 30.931 ( -4.972 0.000 -2.693) 5.654 31.784 ( -0.740 0.000 -6.039) 6.084 34.370 ( -7.763 0.000 3.052) 8.342 ======================= Grid point 24 (17/227) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 9.187 9.555 11.050) 17.257 2.804 ( 18.164 -0.711 16.755) 24.722 3.313 ( 15.434 12.170 4.676) 20.204 3.876 ( 12.754 -2.160 12.558) 18.029 4.211 ( 7.501 8.441 -18.713) 21.856 4.629 ( 7.812 -5.670 -5.168) 10.949 4.723 ( 22.132 -13.717 4.268) 26.386 4.952 ( 7.871 1.215 13.553) 15.720 5.725 ( -4.721 -2.003 4.352) 6.727 5.859 ( 3.020 -4.089 -7.312) 8.905 6.990 ( 0.837 3.930 -3.030) 5.033 7.128 ( 6.135 -2.432 5.904) 8.855 7.323 ( -6.871 -3.723 -2.521) 8.211 7.696 ( 1.080 2.769 1.171) 3.194 8.785 ( -1.623 -4.946 -1.248) 5.353 9.090 ( -17.330 24.058 -2.471) 29.753 9.387 ( -3.343 0.282 -1.121) 3.537 9.683 ( -7.537 -10.149 -3.844) 13.214 10.236 ( -4.638 0.565 5.567) 7.268 10.503 ( -3.137 -6.834 9.895) 12.428 10.773 ( -6.592 1.568 -19.858) 20.982 11.264 ( -0.173 1.093 -2.011) 2.295 12.641 ( 3.035 0.197 -0.437) 3.073 14.559 ( 3.229 -1.330 0.738) 3.570 15.357 ( 1.245 0.002 1.369) 1.851 15.512 ( 0.647 -0.438 -3.687) 3.769 15.896 ( 6.942 2.759 13.087) 15.069 16.309 ( 1.976 -0.193 3.676) 4.178 16.837 ( -4.139 -1.415 -9.374) 10.344 17.039 ( -2.080 -1.495 4.480) 5.161 18.397 ( 1.782 6.729 2.962) 7.565 18.875 ( 0.696 -6.785 -4.531) 8.188 22.831 ( -2.258 0.284 8.896) 9.183 24.183 ( 0.672 -0.200 -1.973) 2.094 29.156 ( 2.100 6.968 -2.321) 7.639 29.595 ( 1.496 -7.472 6.425) 9.968 29.768 ( 1.757 1.093 3.496) 4.063 29.934 ( 1.436 0.638 -0.499) 1.648 30.303 ( 6.818 -1.775 -1.743) 7.258 30.799 ( -10.962 -3.423 -7.341) 13.630 31.752 ( 6.642 6.414 -2.869) 9.668 34.275 ( -6.961 -0.710 0.164) 6.999 ======================= Grid point 25 (18/227) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 5.241 16.776 11.845) 21.194 3.122 ( 14.020 2.474 5.389) 15.222 3.443 ( 22.745 21.840 6.218) 32.140 3.979 ( -3.066 5.328 -17.287) 18.348 4.191 ( 16.398 1.853 4.941) 17.226 4.725 ( -3.003 -7.110 2.370) 8.074 5.049 ( 4.907 2.017 -1.196) 5.438 5.184 ( 10.678 -5.806 9.004) 15.126 5.717 ( -5.583 -3.441 4.944) 8.213 5.977 ( 8.594 -6.190 -3.510) 11.157 6.903 ( -1.445 3.656 -6.792) 7.848 7.094 ( -4.601 -0.953 -0.806) 4.767 7.451 ( 3.716 -4.968 6.205) 8.774 7.728 ( 4.984 2.116 3.892) 6.668 8.552 ( -11.932 20.746 -4.518) 24.355 8.863 ( 2.165 -7.024 0.718) 7.385 9.282 ( -9.364 -2.925 -6.642) 11.847 9.693 ( -3.054 -7.103 -0.831) 7.776 10.216 ( -2.819 1.740 7.234) 7.956 10.501 ( -8.573 -3.060 -4.326) 10.079 10.677 ( 1.513 -4.543 -0.527) 4.817 11.230 ( 0.583 1.818 -2.129) 2.860 12.662 ( 1.298 0.901 -0.729) 1.740 14.614 ( 1.476 -0.724 1.028) 1.939 15.391 ( 2.342 0.290 1.291) 2.690 15.518 ( 2.076 -1.134 -3.119) 3.914 16.008 ( 6.451 7.257 5.700) 11.259 16.388 ( 3.935 -0.031 4.860) 6.253 16.741 ( -3.951 -4.112 -7.875) 9.723 17.050 ( -3.395 -1.963 3.914) 5.541 18.327 ( 0.240 8.652 1.442) 8.775 18.953 ( -0.499 -8.506 -2.210) 8.802 22.827 ( -4.784 0.815 6.304) 7.955 24.183 ( 0.542 -0.389 -1.349) 1.504 29.118 ( 4.234 4.502 -1.642) 6.394 29.631 ( -5.114 2.528 -1.349) 5.862 29.788 ( -1.151 -2.579 5.256) 5.966 29.981 ( 3.579 -1.469 -0.116) 3.870 30.464 ( 6.534 -5.232 2.810) 8.830 30.610 ( -8.531 -0.483 -7.607) 11.440 31.775 ( 9.587 7.615 -1.139) 12.296 34.191 ( -6.390 -2.281 -1.386) 6.925 ======================= Grid point 26 (19/227) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 2.291 19.576 13.914) 24.126 3.185 ( 9.392 15.488 -6.487) 19.239 3.420 ( 2.712 19.186 -4.984) 20.008 3.750 ( 6.117 11.293 -14.578) 19.429 4.366 ( 3.889 3.546 0.211) 5.267 4.846 ( 2.446 -9.499 9.870) 13.916 4.993 ( 2.166 9.377 -4.415) 10.588 5.329 ( -0.429 5.444 10.351) 11.703 5.723 ( -3.906 -3.037 6.094) 7.850 6.150 ( 7.454 -3.108 -2.674) 8.507 6.790 ( -0.706 1.990 -5.104) 5.524 7.119 ( 3.706 -1.989 3.841) 5.696 7.582 ( 1.193 -5.720 5.258) 7.860 7.817 ( 4.146 0.194 2.065) 4.636 8.192 ( -6.353 10.006 -5.742) 13.170 8.984 ( 0.408 -2.803 2.758) 3.953 9.120 ( -8.568 -6.812 -11.438) 15.832 9.751 ( -0.607 -6.518 0.483) 6.564 10.194 ( -0.910 5.667 7.027) 9.073 10.441 ( -4.823 -8.744 -2.282) 10.243 10.751 ( -0.228 -3.672 0.455) 3.707 11.224 ( 2.913 1.882 0.153) 3.471 12.653 ( 0.165 1.333 -0.491) 1.431 14.638 ( 0.360 0.029 1.535) 1.577 15.438 ( 3.465 0.367 0.800) 3.575 15.552 ( 2.559 -1.792 -2.247) 3.848 15.983 ( 1.406 6.600 -3.535) 7.618 16.485 ( 5.556 1.405 4.849) 7.507 16.728 ( -0.560 -4.737 -2.605) 5.435 17.038 ( -4.526 -1.107 2.996) 5.540 18.228 ( -0.919 7.523 0.885) 7.630 19.020 ( -1.549 -6.439 -1.319) 6.752 22.765 ( -6.279 1.188 3.175) 7.135 24.188 ( 0.340 -0.477 -0.637) 0.865 29.137 ( 5.711 3.199 -1.173) 6.650 29.473 ( -7.468 2.258 -3.012) 8.363 29.828 ( -1.687 -1.678 2.869) 3.727 30.032 ( -0.399 -3.010 -2.675) 4.047 30.430 ( -2.224 3.833 -3.582) 5.699 30.679 ( 5.768 -3.590 5.767) 8.912 31.821 ( 9.222 6.209 -0.947) 11.158 34.122 ( -6.507 -3.690 -1.875) 7.712 ======================= Grid point 27 (20/227) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -1.927 21.586 13.035) 25.290 2.856 ( -18.007 18.676 -12.863) 28.957 3.111 ( 6.772 19.704 -16.153) 26.364 3.630 ( 8.503 18.821 -6.876) 21.767 4.222 ( -7.870 7.080 -6.653) 12.503 4.850 ( 2.043 13.297 -2.974) 13.778 5.036 ( -0.793 8.997 11.731) 14.805 5.323 ( 6.415 4.248 12.287) 14.497 5.765 ( -0.527 -0.702 6.828) 6.884 6.179 ( 0.900 3.543 -6.134) 7.140 6.801 ( 5.696 0.340 2.571) 6.259 7.305 ( 8.385 -5.815 8.813) 13.483 7.719 ( -0.083 -8.546 1.518) 8.680 7.824 ( 1.335 3.056 -0.991) 3.479 8.043 ( -4.671 -4.872 -6.527) 9.389 8.889 ( -10.230 -4.507 -5.747) 12.569 9.132 ( 2.912 -2.857 -3.577) 5.426 9.834 ( 0.115 -6.876 0.004) 6.877 10.183 ( 1.683 4.250 6.720) 8.127 10.515 ( -2.574 -11.402 1.138) 11.744 10.752 ( -1.638 -0.451 -2.484) 3.009 11.250 ( 2.483 2.656 0.305) 3.649 12.634 ( 0.176 1.821 0.256) 1.847 14.666 ( 1.551 -0.736 2.749) 3.241 15.488 ( 3.610 0.890 0.106) 3.719 15.601 ( 1.878 -2.808 -1.248) 3.601 15.879 ( -1.208 2.143 -7.382) 7.781 16.588 ( 5.758 1.052 4.690) 7.501 16.770 ( 0.877 -1.718 0.180) 1.938 16.979 ( -5.772 0.735 1.119) 5.926 18.134 ( -1.562 5.716 0.670) 5.963 19.043 ( -1.958 -2.954 -0.964) 3.673 22.669 ( -6.104 1.373 0.665) 6.291 24.195 ( 0.099 -0.442 -0.000) 0.453 29.175 ( 6.038 4.619 -0.298) 7.608 29.354 ( -5.657 -2.837 -2.887) 6.956 29.823 ( -1.913 0.169 1.224) 2.277 29.986 ( -5.736 -2.990 -5.636) 8.579 30.390 ( 5.890 7.854 2.684) 10.178 30.801 ( 1.468 -0.982 3.736) 4.133 31.888 ( 8.772 3.027 -0.800) 9.314 34.057 ( -7.259 -4.255 -1.969) 8.641 ======================= Grid point 28 (21/227) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -6.011 24.569 6.087) 26.016 2.184 ( -21.218 21.544 -13.776) 33.229 2.901 ( 13.926 26.431 -6.804) 30.640 3.336 ( -8.224 24.027 -5.815) 26.052 3.990 ( -1.246 8.499 -6.280) 10.641 4.667 ( 3.731 21.439 -3.136) 21.986 4.802 ( -9.868 19.675 9.943) 24.153 5.532 ( 10.352 0.665 8.291) 13.280 5.791 ( -0.724 4.216 6.980) 8.187 6.028 ( -4.075 6.288 -9.881) 12.400 6.984 ( 10.612 -1.861 9.696) 14.494 7.573 ( 6.139 -6.970 3.410) 9.894 7.704 ( -2.422 -2.989 -2.868) 4.798 7.934 ( 2.669 -6.913 4.212) 8.524 8.023 ( -5.255 -13.258 -7.293) 16.018 8.805 ( -4.951 -6.485 -4.629) 9.381 9.162 ( 1.652 0.228 -1.740) 2.410 9.918 ( -0.161 -7.129 0.038) 7.131 10.223 ( 2.508 2.618 4.646) 5.893 10.636 ( -1.334 -7.720 4.020) 8.806 10.705 ( -1.013 -2.190 -4.976) 5.530 11.195 ( -1.974 5.714 -2.837) 6.678 12.612 ( 0.315 3.225 0.511) 3.280 14.752 ( 3.405 -3.064 3.417) 5.714 15.512 ( 2.124 2.424 -0.269) 3.234 15.653 ( 0.291 -4.171 -0.725) 4.243 15.839 ( 1.630 -4.014 -4.932) 6.565 16.678 ( 2.234 0.527 3.917) 4.540 16.770 ( -1.084 2.552 0.557) 2.828 16.885 ( -3.451 1.648 -1.009) 3.955 18.056 ( -1.455 3.713 0.503) 4.020 19.023 ( -1.519 0.957 -0.565) 1.882 22.575 ( -3.913 1.475 -0.435) 4.204 24.201 ( -0.075 -0.308 0.322) 0.452 29.197 ( 4.589 4.458 1.079) 6.488 29.329 ( -2.531 -4.637 -2.310) 5.766 29.798 ( -1.316 0.475 0.373) 1.448 29.901 ( -3.819 -1.305 -3.472) 5.324 30.407 ( 5.281 7.641 3.798) 10.035 30.794 ( -2.150 2.936 -0.152) 3.642 31.992 ( 7.275 -0.665 -0.510) 7.323 33.983 ( -6.806 -3.270 -1.887) 7.783 ======================= Grid point 29 (22/227) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.000 26.132 -0.000) 26.132 1.638 ( -0.000 29.308 -0.000) 29.308 2.696 ( -0.000 39.287 -0.000) 39.287 2.826 ( -0.000 22.885 -0.000) 22.885 3.872 ( -0.000 7.830 -0.000) 7.830 4.365 ( -0.000 24.644 -0.000) 24.644 4.556 ( -0.000 14.883 -0.000) 14.883 5.621 ( -0.000 20.961 -0.000) 20.961 5.725 ( 0.000 -5.760 0.000) 5.760 5.884 ( -0.000 1.296 -0.000) 1.296 7.175 ( 0.000 -3.729 0.000) 3.729 7.629 ( 0.000 -3.850 0.000) 3.850 7.770 ( 0.000 -5.393 0.000) 5.393 8.099 ( 0.000 -10.243 0.000) 10.243 8.128 ( 0.000 -15.393 0.000) 15.393 8.826 ( 0.000 -4.779 0.000) 4.779 9.157 ( -0.000 0.878 -0.000) 0.878 10.018 ( 0.000 -9.400 0.000) 9.400 10.216 ( -0.000 4.278 -0.000) 4.278 10.624 ( -0.000 4.329 -0.000) 4.329 10.807 ( 0.000 -12.048 0.000) 12.048 11.060 ( -0.000 7.839 -0.000) 7.839 12.567 ( -0.000 4.635 -0.000) 4.635 14.850 ( 0.000 -4.717 0.000) 4.717 15.489 ( -0.000 3.467 -0.000) 3.467 15.712 ( 0.000 -5.212 0.000) 5.212 15.934 ( 0.000 -8.411 0.000) 8.411 16.656 ( -0.000 2.516 -0.000) 2.516 16.721 ( -0.000 5.948 -0.000) 5.948 16.854 ( 0.000 -0.679 0.000) 0.679 18.015 ( -0.000 1.144 -0.000) 1.144 18.973 ( -0.000 4.616 -0.000) 4.616 22.525 ( -0.000 1.451 -0.000) 1.451 24.205 ( 0.000 -0.127 0.000) 0.127 29.199 ( -0.000 3.477 -0.000) 3.477 29.344 ( 0.000 -2.872 0.000) 2.872 29.789 ( 0.000 -0.637 0.000) 0.637 29.875 ( 0.000 -0.924 0.000) 0.924 30.389 ( -0.000 5.604 -0.000) 5.604 30.703 ( -0.000 5.290 -0.000) 5.290 32.075 ( 0.000 -2.478 0.000) 2.478 33.940 ( 0.000 -1.411 0.000) 1.411 ======================= Grid point 34 (23/227) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 7.716 -0.000 10.662) 13.161 3.099 ( 15.319 -0.000 10.805) 18.747 3.828 ( 25.588 -0.000 14.545) 29.433 4.006 ( -4.957 0.000 -2.475) 5.541 4.210 ( 10.511 -0.000 -12.733) 16.511 4.683 ( 9.780 -0.000 -16.660) 19.318 4.900 ( 7.931 -0.000 7.424) 10.864 5.193 ( 10.018 -0.000 13.853) 17.096 5.677 ( -4.375 0.000 4.765) 6.469 5.876 ( 8.601 -0.000 -3.650) 9.343 6.991 ( 3.286 -0.000 -4.073) 5.233 7.050 ( -10.938 0.000 -3.499) 11.484 7.383 ( 6.110 -0.000 8.246) 10.263 7.765 ( 3.457 -0.000 2.791) 4.443 8.764 ( 3.820 -0.000 0.565) 3.862 8.955 ( -19.934 0.000 -14.559) 24.684 9.132 ( -16.114 0.000 0.152) 16.115 9.595 ( 2.484 -0.000 0.221) 2.493 10.214 ( -4.420 0.000 6.161) 7.583 10.486 ( -4.197 0.000 10.316) 11.137 10.613 ( -0.214 0.000 -13.593) 13.595 11.249 ( 0.140 -0.000 -2.356) 2.360 12.674 ( 1.666 -0.000 -0.810) 1.853 14.605 ( 2.430 -0.000 1.459) 2.834 15.394 ( 2.164 -0.000 1.635) 2.712 15.506 ( 2.349 -0.000 -3.457) 4.180 16.144 ( 10.151 -0.000 11.963) 15.689 16.330 ( -1.911 0.000 -0.988) 2.151 16.705 ( -1.579 0.000 -7.987) 8.142 17.020 ( -3.488 0.000 4.474) 5.673 18.491 ( 0.131 -0.000 4.581) 4.583 18.790 ( -0.166 0.000 -5.357) 5.359 22.838 ( -5.286 0.000 7.669) 9.314 24.178 ( 0.696 -0.000 -1.760) 1.893 29.192 ( 1.344 -0.000 -4.324) 4.528 29.635 ( 2.091 -0.000 6.467) 6.797 29.798 ( -3.469 0.000 1.643) 3.838 29.910 ( -2.851 0.000 -0.617) 2.917 30.420 ( 11.208 -0.000 0.443) 11.217 30.600 ( -5.427 0.000 -5.929) 8.038 31.879 ( 7.185 -0.000 -1.522) 7.344 34.158 ( -6.960 0.000 -2.030) 7.250 ======================= Grid point 35 (24/227) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 5.277 11.753 10.182) 16.421 3.404 ( 16.469 3.125 4.910) 17.467 3.697 ( -16.803 4.395 -15.866) 23.524 4.120 ( 14.219 14.730 4.284) 20.917 4.456 ( 16.997 -3.781 2.882) 17.649 4.592 ( -3.491 -1.607 -10.517) 11.198 5.082 ( 8.784 -3.331 -0.898) 9.437 5.414 ( 8.310 3.618 13.142) 15.964 5.666 ( -2.791 -1.624 5.633) 6.493 6.041 ( 10.692 -3.836 -0.601) 11.375 6.867 ( -4.943 3.400 -2.396) 6.460 7.069 ( 5.694 -2.251 -0.783) 6.172 7.493 ( 1.430 -1.603 6.221) 6.582 7.831 ( 2.499 0.458 3.299) 4.164 8.453 ( -18.124 9.679 -15.053) 25.471 8.861 ( -1.560 -8.850 -9.013) 12.727 8.986 ( -6.335 -0.613 6.673) 9.221 9.655 ( 2.526 -1.795 1.779) 3.574 10.211 ( -3.524 -2.851 5.275) 6.955 10.424 ( -4.082 5.873 2.289) 7.509 10.623 ( 0.985 -6.035 -0.927) 6.185 11.257 ( 3.172 0.641 -0.321) 3.252 12.677 ( 0.260 0.580 -1.020) 1.201 14.642 ( 1.145 0.172 1.736) 2.087 15.441 ( 2.575 0.034 1.609) 3.036 15.529 ( 3.317 -0.335 -2.807) 4.358 16.139 ( -6.795 5.409 -7.519) 11.488 16.410 ( 6.239 -5.100 4.974) 9.469 16.709 ( 6.312 1.427 -0.755) 6.515 17.005 ( -4.247 -1.213 4.636) 6.403 18.446 ( -1.055 8.795 2.630) 9.240 18.815 ( -0.982 -8.657 -2.818) 9.157 22.787 ( -7.142 0.496 5.017) 8.742 24.178 ( 0.612 -0.256 -1.310) 1.469 29.177 ( 2.058 0.565 -4.236) 4.744 29.604 ( -6.170 7.174 -1.302) 9.552 29.757 ( -2.161 -4.261 3.009) 5.646 29.896 ( -4.142 -5.299 -1.647) 6.925 30.540 ( 4.867 3.893 -0.261) 6.237 30.628 ( 10.015 -1.614 4.047) 10.922 31.942 ( 5.476 2.964 -1.395) 6.381 34.050 ( -6.467 -1.760 -3.252) 7.450 ======================= Grid point 36 (25/227) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.770 18.347 10.187) 21.167 3.133 ( -26.198 6.536 -18.478) 32.718 3.572 ( 15.638 14.942 -6.710) 22.646 4.073 ( 3.273 14.839 0.565) 15.206 4.352 ( -4.228 5.411 -10.148) 12.253 4.860 ( 4.543 -12.807 6.790) 15.191 5.220 ( 16.625 9.908 1.355) 19.401 5.515 ( 3.794 8.059 11.419) 14.482 5.733 ( 1.673 -1.972 8.204) 8.602 6.205 ( 6.533 -1.270 -2.268) 7.031 6.813 ( 2.706 0.870 0.444) 2.877 7.209 ( 8.307 -2.696 3.905) 9.567 7.581 ( 1.167 -2.526 6.013) 6.625 7.858 ( -1.661 -0.483 1.308) 2.168 8.018 ( -15.542 2.489 -15.071) 21.792 8.729 ( -13.378 -8.306 -10.874) 19.136 9.086 ( 6.229 0.143 5.161) 8.091 9.729 ( 2.374 -2.113 1.590) 3.554 10.258 ( -2.436 -6.072 4.618) 8.008 10.326 ( -1.763 4.351 2.081) 5.135 10.693 ( -0.267 -4.187 -0.454) 4.220 11.317 ( 5.370 2.313 2.329) 6.293 12.663 ( -0.041 0.620 -0.562) 0.838 14.664 ( 0.884 0.388 2.102) 2.313 15.490 ( 2.440 -0.275 1.114) 2.696 15.564 ( 2.933 -0.518 -2.155) 3.676 15.899 ( -10.418 -0.316 -10.941) 15.111 16.572 ( 6.951 -0.736 2.714) 7.498 16.800 ( 7.341 2.463 1.992) 7.995 16.980 ( -4.990 -0.648 3.444) 6.098 18.325 ( -1.350 9.391 1.246) 9.569 18.894 ( -1.504 -8.665 -1.206) 8.877 22.698 ( -6.880 0.905 2.292) 7.308 24.183 ( 0.401 -0.457 -0.717) 0.940 29.184 ( 1.395 -2.306 -4.492) 5.239 29.412 ( -5.182 6.312 -0.896) 8.215 29.794 ( -2.032 -3.528 1.044) 4.203 29.874 ( -4.394 -4.027 -2.641) 6.519 30.583 ( 7.833 6.675 2.650) 10.627 30.807 ( 7.486 0.813 5.588) 9.377 31.961 ( 3.831 2.573 -1.635) 4.896 33.965 ( -5.987 -3.017 -3.095) 7.384 ======================= Grid point 37 (26/227) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -0.670 23.928 6.755) 24.873 2.539 ( -21.875 8.138 -14.603) 27.531 3.504 ( 16.484 22.531 -8.925) 29.309 3.855 ( -8.403 17.670 2.414) 19.715 4.166 ( -2.639 5.807 -6.697) 9.249 4.974 ( 0.407 2.589 0.913) 2.776 5.359 ( 10.936 8.805 4.609) 14.777 5.474 ( 0.470 13.244 6.996) 14.986 5.864 ( 4.451 -0.657 7.084) 8.392 6.204 ( 0.791 5.473 -4.860) 7.362 6.935 ( 8.843 -2.194 6.287) 11.070 7.437 ( 9.627 -4.316 7.317) 12.839 7.615 ( -7.794 -3.558 -3.916) 9.420 7.774 ( -4.658 -5.398 -5.488) 8.997 7.819 ( -5.055 -3.179 -2.538) 6.488 8.603 ( -8.250 -9.106 -6.442) 13.874 9.176 ( 3.439 0.954 1.203) 3.766 9.795 ( 1.437 -2.766 0.466) 3.152 10.297 ( 0.739 2.877 4.696) 5.557 10.360 ( -1.053 -10.472 0.842) 10.558 10.708 ( -0.763 -0.959 -1.128) 1.665 11.344 ( 2.497 5.967 0.935) 6.535 12.659 ( 0.516 0.629 0.250) 0.851 14.702 ( 1.768 -0.908 2.406) 3.121 15.533 ( 1.707 -0.874 0.262) 1.936 15.585 ( 0.325 -0.798 -2.121) 2.289 15.732 ( -6.101 -4.426 -6.616) 10.029 16.683 ( 6.496 0.872 1.347) 6.691 16.851 ( -0.252 3.024 2.769) 4.108 16.928 ( -1.704 1.478 0.257) 2.270 18.205 ( -0.953 8.087 0.570) 8.163 18.959 ( -1.133 -6.070 -0.559) 6.200 22.610 ( -4.257 1.241 0.516) 4.464 24.190 ( 0.149 -0.537 -0.195) 0.591 29.200 ( -1.400 -5.031 -3.570) 6.325 29.311 ( 0.558 4.791 0.699) 4.874 29.803 ( -1.676 -2.204 0.150) 2.773 29.836 ( -2.894 -1.750 -2.060) 3.960 30.615 ( 5.667 8.405 2.688) 10.487 30.886 ( 2.828 4.047 3.125) 5.843 31.985 ( 3.104 0.032 -1.097) 3.293 33.905 ( -4.587 -3.049 -1.842) 5.808 ======================= Grid point 38 (27/227) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -0.000 27.291 -0.000) 27.291 2.181 ( -0.000 14.202 -0.000) 14.202 3.406 ( -0.000 24.297 -0.000) 24.297 3.438 ( -0.000 22.895 -0.000) 22.895 4.052 ( -0.000 6.459 -0.000) 6.459 4.891 ( -0.000 10.745 -0.000) 10.745 5.121 ( -0.000 33.400 -0.000) 33.400 5.539 ( 0.000 -8.744 0.000) 8.744 5.929 ( -0.000 1.389 -0.000) 1.389 6.058 ( -0.000 13.283 -0.000) 13.283 7.103 ( 0.000 -2.097 0.000) 2.097 7.520 ( 0.000 -4.794 0.000) 4.794 7.639 ( 0.000 -5.894 0.000) 5.894 7.817 ( 0.000 -7.892 0.000) 7.892 7.841 ( 0.000 -9.901 0.000) 9.901 8.638 ( 0.000 -9.846 0.000) 9.846 9.187 ( -0.000 1.556 -0.000) 1.556 9.848 ( 0.000 -4.351 0.000) 4.351 10.300 ( -0.000 2.332 -0.000) 2.332 10.497 ( 0.000 -12.204 0.000) 12.204 10.693 ( -0.000 1.157 -0.000) 1.157 11.265 ( -0.000 8.420 -0.000) 8.420 12.651 ( -0.000 1.939 -0.000) 1.939 14.755 ( 0.000 -2.762 0.000) 2.762 15.553 ( -0.000 1.645 -0.000) 1.645 15.591 ( 0.000 -4.346 0.000) 4.346 15.741 ( 0.000 -6.770 0.000) 6.770 16.733 ( -0.000 3.820 -0.000) 3.820 16.794 ( -0.000 0.272 -0.000) 0.272 16.896 ( -0.000 3.609 -0.000) 3.609 18.111 ( -0.000 6.331 -0.000) 6.331 19.001 ( 0.000 -2.559 0.000) 2.559 22.562 ( -0.000 1.480 -0.000) 1.480 24.197 ( 0.000 -0.479 0.000) 0.479 29.236 ( 0.000 -5.363 0.000) 5.363 29.280 ( -0.000 3.279 -0.000) 3.279 29.800 ( -0.000 1.158 -0.000) 1.158 29.828 ( 0.000 -3.075 0.000) 3.075 30.566 ( -0.000 8.418 -0.000) 8.418 30.847 ( -0.000 6.078 -0.000) 6.078 32.022 ( 0.000 -1.756 0.000) 1.756 33.893 ( 0.000 -2.402 0.000) 2.402 ======================= Grid point 45 (28/227) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 3.002 -0.000 6.184) 6.874 3.228 ( -27.211 0.000 -21.157) 34.468 3.732 ( 15.781 -0.000 6.178) 16.947 4.406 ( -0.535 0.000 -13.439) 13.450 4.416 ( -2.333 0.000 8.022) 8.355 4.543 ( 5.427 -0.000 -4.417) 6.997 5.364 ( 24.165 -0.000 3.787) 24.460 5.643 ( -2.552 0.000 4.224) 4.935 5.671 ( 9.570 -0.000 13.691) 16.704 6.182 ( 10.243 -0.000 0.802) 10.274 6.825 ( -1.575 0.000 -0.244) 1.594 7.171 ( 8.546 -0.000 1.275) 8.641 7.558 ( 2.526 -0.000 6.988) 7.431 7.847 ( -3.632 0.000 1.495) 3.928 8.077 ( -20.511 0.000 -17.856) 27.194 8.592 ( -9.517 0.000 -11.618) 15.018 9.102 ( 4.745 -0.000 8.678) 9.891 9.705 ( 3.097 -0.000 2.195) 3.796 10.166 ( -2.820 0.000 2.118) 3.527 10.426 ( -7.007 0.000 5.003) 8.610 10.606 ( 4.266 -0.000 -0.919) 4.364 11.347 ( 6.744 -0.000 3.210) 7.469 12.670 ( -0.532 0.000 -1.085) 1.209 14.672 ( 0.863 -0.000 1.963) 2.144 15.488 ( 2.172 -0.000 1.454) 2.614 15.559 ( 3.116 -0.000 -2.128) 3.774 15.889 ( -14.412 0.000 -12.743) 19.237 16.567 ( 10.421 -0.000 2.610) 10.743 16.839 ( 7.998 -0.000 1.076) 8.070 16.965 ( -5.140 0.000 5.465) 7.502 18.517 ( -2.006 0.000 3.474) 4.012 18.708 ( -0.850 0.000 -3.256) 3.365 22.710 ( -7.169 0.000 2.851) 7.715 24.177 ( 0.520 -0.000 -0.986) 1.115 29.150 ( -0.535 0.000 -5.461) 5.487 29.540 ( -7.875 0.000 -1.155) 7.959 29.689 ( -1.273 0.000 -0.735) 1.469 29.834 ( -1.076 0.000 1.290) 1.680 30.672 ( 7.643 -0.000 2.460) 8.029 30.819 ( 10.237 -0.000 5.737) 11.735 31.996 ( 1.511 -0.000 -1.662) 2.246 33.924 ( -5.274 0.000 -3.900) 6.560 ======================= Grid point 47 (29/227) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -1.450 7.006 1.422) 7.295 2.686 ( -19.824 5.876 -13.398) 24.638 3.908 ( 10.905 7.725 -0.915) 13.395 4.224 ( -2.546 12.130 -1.240) 12.457 4.299 ( -3.708 6.692 -3.571) 8.443 4.748 ( 1.857 -15.514 1.232) 15.674 5.521 ( 3.756 9.746 1.336) 10.530 5.749 ( 5.955 -7.497 2.743) 9.960 5.913 ( 14.609 10.145 12.293) 21.621 6.290 ( 5.031 3.115 -0.690) 5.957 6.853 ( 3.041 -4.088 1.615) 5.345 7.318 ( 4.870 -3.912 3.076) 6.963 7.621 ( -5.077 3.131 -2.221) 6.365 7.691 ( -3.793 -2.279 -4.550) 6.347 7.795 ( -8.140 0.185 -1.630) 8.304 8.416 ( -7.835 -4.809 -8.639) 12.615 9.202 ( 3.065 0.785 3.914) 5.033 9.762 ( 2.119 -0.410 1.278) 2.508 10.170 ( -1.415 -4.297 0.783) 4.591 10.351 ( -3.794 1.275 2.507) 4.722 10.671 ( 2.073 -1.332 0.333) 2.487 11.459 ( 5.561 2.763 3.422) 7.090 12.657 ( -0.316 -0.352 -0.525) 0.706 14.697 ( 0.994 0.158 1.792) 2.055 15.519 ( 0.799 0.239 0.134) 0.845 15.572 ( -1.050 -0.842 -3.275) 3.541 15.646 ( -6.820 -1.934 -6.208) 9.423 16.709 ( 8.664 0.770 -0.751) 8.730 16.910 ( -3.846 1.648 4.368) 6.048 16.947 ( 2.872 0.073 1.003) 3.043 18.432 ( -1.212 9.377 1.143) 9.523 18.755 ( -0.861 -9.170 -0.922) 9.257 22.632 ( -4.471 0.484 1.038) 4.615 24.179 ( 0.275 -0.272 -0.473) 0.611 29.107 ( -1.669 -2.082 -3.878) 4.707 29.429 ( -2.203 4.131 0.185) 4.685 29.691 ( -1.858 -4.362 -1.136) 4.876 29.835 ( -0.298 0.161 0.773) 0.844 30.772 ( 5.745 3.622 2.287) 7.166 30.966 ( 5.598 1.927 4.019) 7.156 31.989 ( 0.028 0.166 -1.341) 1.352 33.846 ( -3.311 -1.442 -2.547) 4.420 ======================= Grid point 48 (30/227) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -0.000 5.546 -0.000) 5.546 2.391 ( -0.000 17.698 -0.000) 17.698 3.872 ( -0.000 12.481 -0.000) 12.481 3.976 ( -0.000 20.891 -0.000) 20.891 4.188 ( -0.000 4.878 -0.000) 4.878 4.931 ( 0.000 -10.238 0.000) 10.238 5.451 ( -0.000 5.066 -0.000) 5.066 5.862 ( -0.000 24.713 -0.000) 24.713 5.887 ( 0.000 -5.432 0.000) 5.432 6.263 ( -0.000 4.760 -0.000) 4.760 7.010 ( 0.000 -7.345 0.000) 7.345 7.367 ( 0.000 -7.044 0.000) 7.044 7.563 ( -0.000 1.338 -0.000) 1.338 7.681 ( 0.000 -2.011 0.000) 2.011 7.735 ( 0.000 -1.167 0.000) 1.167 8.399 ( 0.000 -8.306 0.000) 8.306 9.225 ( -0.000 1.338 -0.000) 1.338 9.789 ( 0.000 -0.909 0.000) 0.909 10.240 ( 0.000 -8.052 0.000) 8.052 10.329 ( -0.000 0.241 -0.000) 0.241 10.695 ( 0.000 -0.488 0.000) 0.488 11.455 ( -0.000 6.400 -0.000) 6.400 12.662 ( 0.000 -0.664 0.000) 0.664 14.717 ( 0.000 -0.511 0.000) 0.511 15.507 ( 0.000 -2.367 0.000) 2.367 15.560 ( 0.000 -1.225 0.000) 1.225 15.628 ( 0.000 -1.998 0.000) 1.998 16.792 ( 0.000 -0.196 0.000) 0.196 16.831 ( -0.000 3.673 -0.000) 3.673 16.967 ( -0.000 1.857 -0.000) 1.857 18.309 ( -0.000 9.408 -0.000) 9.408 18.857 ( 0.000 -8.558 0.000) 8.558 22.592 ( -0.000 0.930 -0.000) 0.930 24.184 ( 0.000 -0.471 0.000) 0.471 29.115 ( 0.000 -3.890 0.000) 3.890 29.369 ( -0.000 3.969 -0.000) 3.969 29.727 ( 0.000 -4.759 0.000) 4.759 29.828 ( -0.000 0.899 -0.000) 0.899 30.762 ( -0.000 6.599 -0.000) 6.599 30.981 ( -0.000 4.363 -0.000) 4.363 31.990 ( 0.000 -0.887 0.000) 0.887 33.832 ( 0.000 -2.182 0.000) 2.182 ======================= Grid point 58 (31/227) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 -0.000 0.000) 0.000 2.655 ( 0.000 -0.000 0.000) 0.000 4.031 ( 0.000 -0.000 0.000) 0.000 4.240 ( 0.000 -0.000 0.000) 0.000 4.376 ( -0.000 0.000 -0.000) 0.000 4.636 ( 0.000 -0.000 0.000) 0.000 5.637 ( 0.000 -0.000 0.000) 0.000 5.715 ( 0.000 -0.000 0.000) 0.000 6.171 ( 0.000 -0.000 0.000) 0.000 6.385 ( 0.000 -0.000 0.000) 0.000 6.829 ( -0.000 0.000 -0.000) 0.000 7.270 ( 0.000 -0.000 0.000) 0.000 7.607 ( 0.000 -0.000 0.000) 0.000 7.683 ( 0.000 -0.000 0.000) 0.000 7.715 ( 0.000 -0.000 0.000) 0.000 8.287 ( 0.000 -0.000 0.000) 0.000 9.243 ( 0.000 -0.000 0.000) 0.000 9.783 ( 0.000 -0.000 0.000) 0.000 10.134 ( 0.000 -0.000 0.000) 0.000 10.328 ( 0.000 -0.000 0.000) 0.000 10.687 ( 0.000 -0.000 0.000) 0.000 11.541 ( 0.000 -0.000 0.000) 0.000 12.648 ( 0.000 -0.000 0.000) 0.000 14.714 ( 0.000 -0.000 0.000) 0.000 15.478 ( 0.000 -0.000 0.000) 0.000 15.535 ( 0.000 -0.000 0.000) 0.000 15.612 ( 0.000 -0.000 0.000) 0.000 16.789 ( 0.000 -0.000 0.000) 0.000 16.882 ( 0.000 -0.000 0.000) 0.000 16.989 ( 0.000 -0.000 0.000) 0.000 18.504 ( -0.000 0.000 -0.000) 0.000 18.668 ( 0.000 -0.000 0.000) 0.000 22.604 ( 0.000 -0.000 0.000) 0.000 24.178 ( 0.000 -0.000 0.000) 0.000 29.065 ( 0.000 -0.000 0.000) 0.000 29.439 ( 0.000 -0.000 0.000) 0.000 29.646 ( 0.000 -0.000 0.000) 0.000 29.839 ( 0.000 -0.000 0.000) 0.000 30.849 ( 0.000 -0.000 0.000) 0.000 31.038 ( 0.000 -0.000 0.000) 0.000 31.979 ( 0.000 -0.000 0.000) 0.000 33.803 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/227) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 3.295 -0.000 28.739) 28.927 0.876 ( 23.113 -0.000 43.199) 48.994 1.389 ( -16.305 0.000 68.144) 70.067 2.162 ( 10.926 -0.000 14.554) 18.199 3.611 ( 0.654 -0.000 -1.590) 1.719 3.912 ( -2.161 0.000 -0.996) 2.379 4.270 ( -0.503 0.000 13.899) 13.908 4.750 ( -8.665 0.000 -10.282) 13.446 5.931 ( 6.604 -0.000 4.315) 7.889 6.508 ( -48.478 0.000 -1.815) 48.512 6.882 ( -14.322 0.000 -9.961) 17.446 7.526 ( 1.673 -0.000 -11.240) 11.364 7.844 ( 12.819 -0.000 -10.813) 16.770 7.901 ( 3.550 -0.000 -0.768) 3.633 8.960 ( -3.432 0.000 7.537) 8.282 9.033 ( 3.272 -0.000 -0.134) 3.275 9.881 ( 4.757 -0.000 -6.302) 7.896 10.265 ( 0.606 -0.000 10.215) 10.233 10.378 ( 121.217 -0.000 -1.657) 121.228 10.414 ( -25.583 0.000 -0.590) 25.590 10.567 ( 2.789 -0.000 6.145) 6.749 11.202 ( 1.169 -0.000 -1.279) 1.733 12.442 ( -2.359 0.000 5.456) 5.944 14.253 ( 4.559 -0.000 -9.866) 10.868 15.346 ( -0.017 0.000 1.229) 1.230 15.680 ( -1.193 0.000 -1.367) 1.814 15.988 ( -9.130 0.000 -0.005) 9.130 16.469 ( 3.161 -0.000 2.234) 3.871 16.557 ( -1.076 0.000 -2.260) 2.503 16.884 ( 0.072 -0.000 -1.923) 1.924 18.154 ( 0.296 -0.000 2.357) 2.375 18.683 ( -6.895 0.000 -1.796) 7.125 22.603 ( -0.803 0.000 11.996) 12.023 25.127 ( -58.975 0.000 -8.950) 59.651 29.069 ( -0.118 0.000 -0.399) 0.416 29.352 ( -2.019 0.000 -1.385) 2.448 29.413 ( 0.232 -0.000 2.548) 2.558 30.088 ( -16.813 0.000 -6.293) 17.953 30.369 ( -15.798 0.000 6.833) 17.212 30.882 ( 1.659 -0.000 -0.972) 1.923 32.208 ( -5.711 0.000 4.858) 7.497 33.167 ( 124.871 -0.000 -2.469) 124.896 ======================= Grid point 106 (33/227) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 16.436 -20.007 24.373) 35.559 1.436 ( -1.776 -5.108 48.957) 49.255 2.041 ( 34.768 -10.812 46.417) 58.994 2.640 ( 23.406 -9.987 20.267) 32.532 3.638 ( 2.480 -3.800 -2.957) 5.416 3.859 ( -3.434 -3.126 -4.858) 6.721 4.417 ( 2.763 -2.757 16.265) 16.726 4.596 ( -6.465 -8.484 -16.399) 19.563 6.000 ( -8.188 5.117 4.517) 10.660 6.138 ( 3.310 1.977 10.843) 11.508 6.568 ( -21.484 -7.692 -15.327) 27.489 7.497 ( -3.177 -7.380 -11.082) 13.688 7.806 ( -1.235 4.253 -11.963) 12.756 7.895 ( -0.533 0.671 -4.632) 4.710 8.964 ( -3.618 -1.922 5.370) 6.754 9.084 ( 7.742 4.929 1.121) 9.246 9.888 ( -6.094 22.621 10.014) 25.478 9.937 ( -0.159 8.431 1.753) 8.613 10.432 ( -0.538 -6.766 4.273) 8.020 10.504 ( -3.967 3.533 5.442) 7.605 11.165 ( 9.491 7.984 -6.217) 13.874 11.267 ( 22.749 8.223 -18.105) 30.214 12.476 ( -0.344 -2.014 5.431) 5.802 14.376 ( 2.565 -14.728 -16.824) 22.506 15.363 ( -0.755 -1.889 1.549) 2.557 15.663 ( -2.975 -2.984 -3.979) 5.795 15.880 ( -8.418 -2.127 4.619) 9.835 16.475 ( -5.864 -0.364 -1.626) 6.096 16.656 ( 14.148 -4.021 -1.200) 14.757 16.893 ( 2.987 0.903 -2.446) 3.965 18.175 ( 1.231 3.092 3.936) 5.154 18.713 ( 4.674 -6.192 -4.139) 8.794 22.702 ( 0.449 0.099 15.248) 15.255 24.431 ( -23.191 7.237 8.824) 25.847 29.061 ( 0.506 3.748 0.807) 3.868 29.421 ( 1.976 -12.988 -4.361) 13.842 29.456 ( 1.989 -1.032 2.009) 3.010 29.920 ( -5.631 0.449 1.438) 5.829 30.289 ( -3.540 1.948 4.879) 6.335 30.903 ( 4.436 0.838 0.614) 4.556 32.105 ( -10.795 2.363 2.297) 11.286 34.144 ( 39.225 6.750 -23.900) 46.426 ======================= Grid point 107 (34/227) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 7.663 -2.615 32.529) 33.521 1.794 ( 1.959 -10.285 33.235) 34.845 2.989 ( 27.777 -6.740 31.321) 42.403 3.216 ( 16.243 -11.465 18.678) 27.279 3.748 ( 4.315 -9.833 -1.857) 10.897 3.920 ( 9.032 -14.528 -11.109) 20.397 4.527 ( -1.936 -11.023 -15.119) 18.811 4.630 ( 4.790 -3.058 15.138) 16.170 5.866 ( -4.707 3.553 1.272) 6.033 6.142 ( -7.657 0.131 -6.457) 10.017 6.490 ( 4.480 -8.933 7.329) 12.393 7.419 ( -9.087 -5.139 -11.386) 15.448 7.596 ( -3.150 7.142 -9.999) 12.685 7.827 ( -3.374 -1.097 -5.574) 6.607 8.981 ( -3.556 -4.029 3.135) 6.221 9.137 ( 7.492 10.101 3.486) 13.051 9.470 ( -11.678 25.594 8.111) 29.278 9.926 ( 1.019 1.856 -2.499) 3.275 10.411 ( -2.930 6.569 3.278) 7.904 10.545 ( 1.348 -4.751 2.938) 5.746 11.134 ( 4.520 7.317 -1.964) 8.822 11.213 ( -0.357 3.028 -14.022) 14.349 12.546 ( 0.453 -2.535 5.163) 5.770 14.426 ( 3.054 -6.995 -13.969) 15.919 15.388 ( -1.423 -2.599 1.654) 3.393 15.612 ( -3.552 -1.951 -3.719) 5.500 15.848 ( -5.525 -1.705 6.779) 8.910 16.383 ( -6.151 -1.068 -0.395) 6.256 16.876 ( 10.725 -0.047 -6.743) 12.669 16.909 ( 4.009 -1.415 0.128) 4.254 18.178 ( 1.814 4.727 4.545) 6.804 18.848 ( 4.838 -8.323 -4.106) 10.466 22.819 ( 0.424 1.249 16.557) 16.609 24.224 ( -5.785 2.165 0.905) 6.243 29.014 ( -1.580 3.052 1.679) 3.825 29.521 ( 3.781 -0.502 1.474) 4.089 29.621 ( 5.833 -12.388 -2.870) 13.990 29.874 ( -1.609 0.418 0.526) 1.743 30.265 ( -1.973 0.111 4.434) 4.855 30.990 ( 6.309 -0.921 0.192) 6.378 31.859 ( -16.245 5.631 -0.685) 17.207 34.268 ( 13.976 7.150 -13.595) 20.767 ======================= Grid point 108 (35/227) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -5.266 8.016 40.925) 42.033 2.187 ( 7.427 -10.242 11.922) 17.384 3.253 ( -4.241 -0.382 12.580) 13.281 3.671 ( 5.679 -7.047 10.158) 13.605 3.861 ( 3.073 -4.972 -10.369) 11.902 4.406 ( 26.614 -22.281 -4.316) 34.977 4.676 ( 9.197 -12.834 -0.163) 15.790 4.836 ( 4.433 -1.864 14.940) 15.695 5.785 ( -0.278 1.933 -3.071) 3.639 6.051 ( -4.011 -5.424 -1.626) 6.939 6.785 ( 9.850 -6.291 11.999) 16.750 7.179 ( -9.703 3.461 -10.788) 14.916 7.476 ( -0.342 0.761 -6.169) 6.225 7.756 ( -4.859 -3.808 -4.818) 7.831 8.807 ( -12.266 30.766 5.449) 33.567 9.050 ( -3.089 -5.489 -1.121) 6.398 9.273 ( 2.064 2.627 -0.370) 3.361 9.901 ( 0.329 0.128 -2.245) 2.272 10.302 ( -2.351 8.490 3.337) 9.420 10.634 ( 2.311 -3.439 -0.160) 4.147 11.044 ( -7.753 0.783 -6.152) 9.928 11.103 ( 4.321 5.242 -4.407) 8.097 12.615 ( -0.017 -1.988 4.969) 5.352 14.464 ( 5.428 -3.879 -11.141) 12.986 15.398 ( -2.326 -1.425 1.389) 3.061 15.567 ( -2.584 -2.552 -3.075) 4.759 15.835 ( -3.554 0.623 5.153) 6.291 16.321 ( -3.813 0.254 1.726) 4.193 16.881 ( 1.958 -0.155 -5.574) 5.910 17.039 ( 6.924 -0.823 -1.410) 7.114 18.179 ( 1.064 3.833 4.613) 6.091 18.986 ( 3.799 -7.288 -2.895) 8.714 22.908 ( -0.900 2.774 15.319) 15.594 24.163 ( -0.320 0.205 -3.040) 3.063 28.979 ( -1.808 0.526 2.055) 2.787 29.597 ( 5.595 1.235 1.448) 5.910 29.793 ( 1.477 -6.732 -1.073) 6.976 29.855 ( 0.088 0.857 -1.119) 1.412 30.331 ( 2.134 -5.986 6.016) 8.751 31.098 ( 8.994 2.272 -0.491) 9.289 31.509 ( -19.649 3.833 -3.979) 20.411 34.261 ( 6.826 4.300 -9.600) 12.540 ======================= Grid point 109 (36/227) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -9.462 7.186 39.512) 41.260 2.399 ( 3.593 -2.160 4.532) 6.174 3.205 ( -10.217 -0.917 0.227) 10.260 3.679 ( -2.132 -1.634 -12.722) 13.003 4.002 ( 7.514 -4.737 6.425) 10.962 4.833 ( 7.390 -0.165 2.694) 7.868 4.914 ( 6.414 -4.171 2.161) 7.950 5.131 ( 9.943 -12.718 9.297) 18.629 5.787 ( 5.504 0.218 -3.193) 6.367 6.086 ( -3.380 -6.170 2.597) 7.499 6.916 ( -7.215 -1.253 -2.858) 7.861 7.108 ( 7.813 -0.919 5.038) 9.342 7.454 ( 3.430 0.505 -2.411) 4.223 7.721 ( -4.213 -7.077 -3.499) 8.949 8.271 ( -10.994 25.920 0.533) 28.160 9.093 ( -2.262 -8.735 -2.765) 9.437 9.259 ( 1.262 4.528 -0.988) 4.803 9.916 ( 0.919 -3.697 -1.424) 4.067 10.189 ( -1.482 8.882 3.343) 9.606 10.698 ( 2.810 -2.374 -1.802) 4.096 10.892 ( -7.617 -1.265 -4.000) 8.696 11.080 ( 3.413 3.509 -2.775) 5.627 12.662 ( -1.221 -1.249 5.085) 5.376 14.514 ( 6.111 -2.141 -9.679) 11.645 15.376 ( -2.165 0.234 0.507) 2.236 15.558 ( -1.314 -3.258 -1.574) 3.850 15.798 ( -1.563 3.211 1.659) 3.938 16.282 ( -1.358 2.038 1.714) 2.989 16.883 ( 0.660 -2.363 -3.515) 4.287 17.108 ( 3.910 0.599 -1.354) 4.181 18.182 ( -0.370 2.028 4.806) 5.229 19.085 ( 2.201 -4.324 -2.315) 5.376 22.938 ( -2.831 4.014 12.214) 13.164 24.153 ( 1.554 -0.710 -3.735) 4.107 28.975 ( -1.419 -0.707 2.243) 2.747 29.673 ( 6.458 2.130 0.399) 6.812 29.780 ( -4.151 -0.598 -3.184) 5.266 29.872 ( 0.322 -0.630 2.473) 2.572 30.512 ( 3.734 -5.655 2.870) 7.359 31.148 ( 4.285 13.770 2.194) 14.587 31.225 ( -11.600 -11.651 -5.407) 17.307 34.238 ( 4.119 1.966 -7.990) 9.201 ======================= Grid point 110 (37/227) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -12.907 3.981 40.350) 42.551 2.433 ( 0.847 5.858 1.953) 6.233 2.992 ( -10.788 1.961 -10.044) 14.869 3.558 ( -1.529 1.460 -15.960) 16.099 4.205 ( 4.035 -1.723 10.452) 11.335 4.790 ( -2.780 7.223 -3.317) 8.421 5.020 ( 1.122 0.502 4.913) 5.064 5.347 ( -1.731 -0.806 6.287) 6.570 5.835 ( 3.725 2.732 -2.834) 5.420 6.126 ( -2.607 -3.855 5.070) 6.882 6.812 ( -5.387 -0.449 -4.652) 7.131 7.186 ( -1.013 -4.015 0.443) 4.165 7.520 ( 6.062 5.621 3.213) 8.869 7.827 ( 5.688 -13.329 0.541) 14.503 7.935 ( -2.194 12.789 -0.368) 12.981 9.144 ( -1.804 -6.094 -2.503) 6.831 9.181 ( -0.871 4.372 -4.101) 6.058 9.994 ( 1.197 -6.901 -1.343) 7.132 10.104 ( -0.347 6.123 4.726) 7.742 10.733 ( 3.276 3.550 -3.846) 6.174 10.821 ( -4.237 -7.058 -0.990) 8.292 11.085 ( 2.874 -0.298 -2.531) 3.841 12.682 ( -2.698 -0.474 5.353) 6.013 14.548 ( 5.302 -0.390 -8.825) 10.303 15.350 ( -0.332 0.736 -0.199) 0.831 15.580 ( -0.119 -3.006 -0.254) 3.019 15.735 ( 0.368 5.388 -1.717) 5.667 16.263 ( 1.588 2.859 1.650) 3.663 16.902 ( -0.362 -3.262 -1.966) 3.826 17.126 ( 1.713 1.452 -1.520) 2.712 18.189 ( -1.987 -0.029 5.340) 5.698 19.118 ( 0.411 -0.718 -2.382) 2.522 22.905 ( -4.645 4.549 8.640) 10.812 24.169 ( 1.920 -1.262 -2.375) 3.304 28.976 ( -1.182 0.247 2.194) 2.504 29.669 ( -5.376 -1.807 -3.723) 6.784 29.771 ( 7.062 2.848 0.616) 7.640 29.891 ( -0.732 0.186 2.421) 2.536 30.491 ( -3.763 5.590 -5.758) 8.864 31.116 ( -12.754 -17.693 1.132) 21.840 31.276 ( 13.777 8.386 4.030) 16.625 34.220 ( 3.068 0.349 -8.023) 8.597 ======================= Grid point 111 (38/227) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -18.760 3.852 41.966) 46.129 2.264 ( -8.134 15.469 -0.453) 17.483 2.775 ( -4.939 0.087 -12.007) 12.983 3.329 ( -7.228 5.471 -20.109) 22.058 4.226 ( -5.710 6.150 2.283) 8.697 4.579 ( -6.446 9.337 -5.801) 12.743 5.050 ( -0.507 3.866 9.141) 9.938 5.207 ( -11.851 12.075 10.654) 19.994 5.804 ( 1.222 3.213 -1.776) 3.869 6.165 ( -1.796 -1.798 3.534) 4.353 6.685 ( -3.951 4.631 -1.939) 6.389 7.309 ( 5.745 -9.849 0.250) 11.405 7.523 ( 6.129 9.357 2.774) 11.524 7.849 ( 2.978 4.354 2.118) 5.684 8.163 ( 8.277 -21.368 -2.344) 23.034 9.046 ( -2.316 5.894 -4.004) 7.492 9.184 ( -2.120 -6.533 -4.042) 7.970 10.032 ( -0.295 -0.353 -0.009) 0.460 10.155 ( 2.120 -4.653 4.374) 6.728 10.657 ( 1.254 7.701 -4.821) 9.172 10.899 ( -1.327 -10.732 -1.361) 10.899 11.141 ( 3.416 -4.289 -3.133) 6.315 12.669 ( -4.175 0.725 5.439) 6.895 14.558 ( 5.281 1.234 -7.916) 9.595 15.348 ( 1.659 0.951 -0.503) 1.977 15.621 ( 1.409 -0.996 0.339) 1.759 15.662 ( 2.037 4.766 -3.370) 6.182 16.287 ( 4.983 3.741 2.589) 6.747 16.913 ( -0.880 -2.035 -2.323) 3.212 17.102 ( -0.880 1.257 -1.989) 2.512 18.201 ( -3.540 -1.820 6.068) 7.257 19.085 ( -1.059 2.055 -2.454) 3.372 22.822 ( -5.931 4.464 5.915) 9.492 24.207 ( 1.404 -2.016 0.861) 2.603 28.967 ( -0.486 1.314 1.951) 2.402 29.591 ( -5.268 -2.173 -2.260) 6.130 29.845 ( 1.875 -0.711 0.719) 2.130 29.867 ( 2.824 5.803 -1.555) 6.638 30.320 ( -5.107 3.237 -2.149) 6.418 31.090 ( -8.970 -7.411 -5.696) 12.955 31.487 ( 11.307 -1.272 9.803) 15.019 34.194 ( 2.320 -0.008 -10.785) 11.032 ======================= Grid point 112 (39/227) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -12.892 23.341 -3.136) 26.848 1.918 ( -29.886 7.340 44.472) 54.081 2.561 ( -17.220 1.318 -16.911) 24.172 2.940 ( -9.358 10.966 -17.462) 22.644 3.970 ( -12.775 7.685 -3.169) 15.242 4.314 ( -5.797 12.435 -3.187) 14.085 4.813 ( -15.625 17.909 9.664) 25.657 5.160 ( 2.027 7.162 15.194) 16.919 5.791 ( 1.993 1.252 -0.626) 2.436 6.146 ( -6.665 -2.361 -1.022) 7.144 6.639 ( 8.390 8.114 9.708) 15.181 7.460 ( 9.730 0.662 -11.758) 15.276 7.635 ( 7.834 -4.795 9.400) 13.142 7.911 ( 5.797 0.763 3.904) 7.031 8.491 ( 2.330 -24.113 -9.646) 26.076 8.927 ( -1.979 3.235 -2.620) 4.609 9.187 ( -2.934 -4.298 -3.355) 6.192 10.045 ( 0.789 -0.567 1.174) 1.524 10.272 ( 1.560 -4.616 2.227) 5.357 10.521 ( 0.907 10.060 -5.416) 11.462 10.999 ( -1.456 -10.717 -2.124) 11.022 11.218 ( -0.438 -9.534 -8.086) 12.509 12.619 ( -5.290 2.263 5.272) 7.804 14.569 ( 8.099 3.471 -8.064) 11.944 15.360 ( 1.985 1.531 -0.226) 2.517 15.608 ( 4.734 4.583 -1.149) 6.689 15.700 ( 3.762 -1.706 0.484) 4.159 16.348 ( 7.344 4.641 2.758) 9.115 16.876 ( -1.077 2.524 -4.807) 5.535 17.045 ( -4.465 -0.863 -1.565) 4.810 18.215 ( -4.425 -2.474 6.475) 8.223 19.014 ( -2.233 2.455 -1.945) 3.847 22.716 ( -6.287 3.968 4.825) 8.863 24.281 ( 0.232 -4.078 7.394) 8.447 28.968 ( 1.233 1.098 1.643) 2.329 29.531 ( -4.929 -1.570 -0.707) 5.221 29.744 ( 0.234 8.645 -6.127) 10.598 29.915 ( 1.417 -0.869 4.435) 4.736 30.259 ( -2.181 -0.643 2.634) 3.480 30.979 ( -7.120 -1.867 -6.545) 9.850 31.733 ( 7.761 -5.806 6.374) 11.600 34.107 ( 0.969 2.248 -18.988) 19.145 ======================= Grid point 113 (40/227) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -16.808 27.499 0.229) 32.230 1.596 ( -40.652 7.657 33.933) 53.503 1.931 ( -31.603 20.771 -3.467) 37.977 2.561 ( -13.645 11.550 -9.662) 20.321 3.735 ( -6.884 2.270 -1.276) 7.360 4.091 ( -3.630 10.703 0.847) 11.333 4.453 ( -12.003 14.784 7.205) 20.361 5.150 ( -2.516 10.724 10.557) 15.257 5.816 ( 2.378 -0.464 -1.394) 2.796 6.077 ( -6.395 -4.446 8.566) 11.578 6.878 ( 20.213 5.887 15.283) 26.015 7.508 ( 10.199 1.011 -10.911) 14.969 7.830 ( 3.744 -3.756 0.619) 5.339 8.034 ( 7.788 0.831 2.149) 8.121 8.642 ( -4.469 -19.006 -18.380) 26.815 8.901 ( -1.607 -2.470 4.220) 5.147 9.154 ( -2.914 -1.156 -3.828) 4.948 10.078 ( 3.331 1.043 -1.496) 3.797 10.237 ( -2.074 7.703 -7.560) 10.990 10.464 ( 2.151 0.321 4.350) 4.863 11.083 ( -1.546 -9.162 -3.710) 10.005 11.204 ( -10.281 -14.448 -16.519) 24.235 12.541 ( -5.491 3.143 5.136) 8.149 14.579 ( 12.963 9.571 -12.625) 20.470 15.358 ( 1.033 2.194 0.041) 2.425 15.670 ( 6.250 0.690 1.579) 6.483 15.808 ( 8.302 -0.893 3.438) 9.030 16.418 ( 6.975 4.033 1.521) 8.200 16.738 ( -2.614 7.845 -6.996) 10.832 16.983 ( -5.900 -2.764 -0.426) 6.530 18.216 ( -3.883 -0.425 5.322) 6.601 18.945 ( -3.934 -0.943 -1.522) 4.323 22.621 ( -5.330 3.163 5.539) 8.313 24.463 ( -0.539 -11.982 22.202) 25.235 29.002 ( 3.542 1.103 1.412) 3.970 29.464 ( -5.447 -0.445 -0.219) 5.469 29.610 ( 3.545 10.275 -4.887) 11.918 30.002 ( 1.039 -2.444 12.141) 12.428 30.270 ( -1.105 -1.036 2.482) 2.908 30.845 ( -8.038 -2.515 -6.916) 10.898 31.940 ( 5.187 -7.337 1.629) 9.132 33.828 ( -2.376 12.658 -38.574) 40.667 ======================= Grid point 114 (41/227) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -18.095 23.009 13.114) 32.075 0.945 ( -30.846 28.512 5.612) 42.378 1.403 ( -34.658 12.632 56.507) 67.481 2.177 ( -10.517 10.343 1.506) 14.828 3.649 ( -3.150 1.170 -0.865) 3.470 3.960 ( -1.513 5.175 0.847) 5.458 4.254 ( -5.118 5.889 9.385) 12.205 4.977 ( -7.925 8.754 -0.698) 11.829 5.846 ( 2.992 -0.250 -0.429) 3.033 6.367 ( -0.391 -32.137 29.969) 43.944 7.193 ( 16.539 6.344 5.885) 18.666 7.600 ( 16.549 2.951 -5.284) 17.621 7.864 ( 0.904 -0.939 -2.901) 3.180 7.968 ( -6.338 15.929 -30.330) 34.839 8.678 ( 8.870 -10.323 9.264) 16.464 8.950 ( -3.066 -1.673 8.026) 8.753 9.084 ( 1.941 5.401 2.637) 6.316 9.970 ( 4.614 11.119 -15.862) 19.913 10.184 ( 0.756 -1.087 7.668) 7.781 10.529 ( 0.540 0.211 5.658) 5.688 10.930 ( -26.174 -11.719 -23.177) 36.872 11.174 ( 0.437 -4.250 -1.962) 4.702 12.469 ( -4.390 2.326 5.253) 7.230 14.476 ( 14.239 23.067 -20.941) 34.255 15.346 ( 0.551 1.666 0.625) 1.862 15.720 ( 3.043 3.254 -1.951) 4.863 16.011 ( 6.790 -3.016 3.388) 8.166 16.458 ( 1.984 1.998 0.262) 2.828 16.572 ( 0.803 6.070 -3.084) 6.855 16.928 ( -4.526 -1.339 -0.871) 4.799 18.181 ( -2.228 3.006 2.181) 4.331 18.872 ( -9.426 -4.307 -6.516) 12.242 22.572 ( -3.264 1.924 8.022) 8.871 25.029 ( 3.278 -45.314 35.373) 57.579 29.058 ( 4.223 1.586 1.381) 4.717 29.398 ( -2.983 0.190 0.684) 3.066 29.505 ( 3.637 12.143 -4.537) 13.464 30.248 ( 3.357 0.623 0.885) 3.527 30.341 ( 12.719 -14.459 30.637) 36.187 30.688 ( -19.339 -11.353 -9.843) 24.490 32.079 ( 4.996 -3.295 -2.025) 6.318 32.988 ( -7.094 60.281 -52.741) 80.410 ======================= Grid point 116 (42/227) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 30.500 -0.000 27.255) 40.903 1.761 ( 0.011 -0.000 48.568) 48.568 2.810 ( 35.701 -0.000 34.264) 49.483 3.117 ( 23.482 -0.000 20.320) 31.053 3.643 ( 6.034 -0.000 -6.187) 8.643 3.723 ( -1.829 0.000 -7.903) 8.112 4.374 ( 0.032 -0.000 -18.184) 18.184 4.594 ( 5.616 -0.000 18.795) 19.616 5.929 ( -7.670 0.000 3.967) 8.635 6.126 ( -15.831 0.000 -13.049) 20.516 6.374 ( 13.045 -0.000 11.978) 17.710 7.321 ( -5.284 0.000 -10.718) 11.949 7.718 ( -4.997 0.000 -8.948) 10.249 7.802 ( -3.878 0.000 -8.404) 9.255 8.911 ( -4.790 0.000 1.906) 5.155 9.214 ( 6.945 -0.000 -0.388) 6.956 9.928 ( -2.033 0.000 -3.283) 3.862 10.019 ( -12.396 0.000 10.417) 16.192 10.435 ( 0.914 -0.000 10.437) 10.477 10.484 ( -6.060 0.000 5.703) 8.322 11.235 ( 1.973 -0.000 -0.948) 2.189 11.269 ( -2.410 0.000 -33.570) 33.657 12.512 ( 1.317 -0.000 5.176) 5.341 14.284 ( 7.358 -0.000 -9.781) 12.240 15.353 ( -0.738 0.000 1.875) 2.015 15.582 ( -2.761 0.000 -3.019) 4.092 15.823 ( -4.619 0.000 10.433) 11.410 16.372 ( -4.667 0.000 -2.567) 5.327 16.840 ( 12.640 -0.000 0.268) 12.642 16.909 ( 1.412 -0.000 -4.449) 4.668 18.276 ( 4.239 -0.000 4.123) 5.914 18.706 ( 5.049 -0.000 -6.523) 8.249 22.835 ( 0.583 -0.000 17.909) 17.918 24.260 ( -10.177 0.000 2.822) 10.561 29.219 ( 9.136 -0.000 1.010) 9.192 29.257 ( -2.096 0.000 -3.428) 4.018 29.539 ( 5.156 -0.000 4.073) 6.571 29.883 ( -1.696 0.000 0.753) 1.856 30.279 ( -3.280 0.000 3.446) 4.758 30.943 ( 2.369 -0.000 -0.309) 2.389 31.967 ( -11.454 0.000 -1.390) 11.538 34.380 ( 11.786 -0.000 -18.687) 22.093 ======================= Grid point 117 (43/227) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -2.744 4.993 45.828) 46.181 2.170 ( 28.223 5.865 23.074) 36.924 3.278 ( -5.976 1.968 2.045) 6.615 3.513 ( 19.371 -6.754 16.551) 26.359 3.768 ( 13.203 -6.730 -10.110) 17.939 3.939 ( 26.198 -5.654 4.150) 27.121 4.365 ( 7.676 -9.924 -9.196) 15.555 4.826 ( 6.713 0.091 18.484) 19.666 5.831 ( -4.520 2.419 -2.207) 5.582 5.924 ( -7.372 -4.840 -2.915) 9.288 6.694 ( 15.943 -1.074 12.969) 20.579 7.161 ( -7.927 -2.587 -11.352) 14.086 7.547 ( -6.001 3.054 -5.878) 8.938 7.704 ( -2.698 -0.818 -7.028) 7.573 8.867 ( -4.603 -4.113 -1.174) 6.283 9.298 ( 5.598 1.081 -0.195) 5.704 9.621 ( -16.393 24.564 -0.063) 29.532 9.913 ( -6.023 -0.311 1.344) 6.179 10.426 ( -5.910 1.781 6.350) 8.856 10.550 ( 1.828 -3.087 5.869) 6.878 10.960 ( -10.597 -4.868 -24.046) 26.725 11.232 ( 1.758 3.061 -1.841) 3.981 12.578 ( 1.592 -0.878 4.869) 5.197 14.357 ( 7.924 -3.496 -10.023) 13.247 15.363 ( -0.802 -0.922 2.184) 2.503 15.525 ( -2.475 -0.730 -3.180) 4.096 15.867 ( -0.426 1.381 11.491) 11.582 16.318 ( -1.814 -0.619 0.548) 1.993 16.870 ( -0.906 -0.321 -7.123) 7.187 16.998 ( 7.102 -1.580 -0.066) 7.276 18.327 ( 3.834 6.450 4.168) 8.584 18.778 ( 3.971 -7.695 -5.452) 10.232 22.959 ( -1.238 1.132 18.648) 18.723 24.170 ( -2.585 0.249 -2.107) 3.344 29.111 ( 0.749 9.581 -0.561) 9.627 29.489 ( 7.078 -11.836 -0.549) 13.802 29.661 ( 5.950 -0.958 5.024) 7.846 29.873 ( 0.472 0.472 -0.340) 0.749 30.255 ( -2.516 -0.523 3.074) 4.007 30.984 ( -0.733 -5.032 -1.899) 5.428 31.742 ( -9.327 7.895 -3.157) 12.621 34.343 ( 2.920 1.959 -13.160) 13.621 ======================= Grid point 118 (44/227) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -7.503 11.347 40.616) 42.834 2.578 ( 25.296 13.852 14.565) 32.310 3.166 ( -6.311 -1.395 -2.091) 6.793 3.742 ( 9.434 4.608 -8.699) 13.635 3.894 ( 8.039 -3.363 -2.176) 8.982 4.570 ( 25.735 -18.632 4.133) 32.039 4.676 ( 10.451 -12.656 4.973) 17.150 5.022 ( 4.637 2.563 15.662) 16.534 5.771 ( 1.693 -1.067 -4.038) 4.506 5.918 ( -4.438 -6.634 2.687) 8.421 6.902 ( -1.261 1.403 -3.782) 4.227 7.105 ( 8.202 -1.411 3.563) 9.053 7.426 ( -4.574 -1.734 -1.833) 5.224 7.649 ( 0.371 0.269 -3.000) 3.035 8.860 ( -4.008 -5.161 -2.875) 7.140 8.995 ( -17.471 26.530 -4.249) 32.049 9.340 ( 2.679 2.557 -0.317) 3.718 9.846 ( -5.534 -3.217 -1.474) 6.569 10.360 ( -4.251 4.250 5.870) 8.402 10.604 ( 0.019 -2.741 -6.642) 7.185 10.785 ( -9.141 -7.694 -3.823) 12.545 11.192 ( 1.392 3.819 -3.255) 5.208 12.639 ( 0.668 -0.599 4.557) 4.645 14.444 ( 7.939 -2.964 -9.578) 12.789 15.376 ( -0.783 -0.260 2.020) 2.182 15.489 ( -1.236 -1.740 -2.619) 3.378 15.908 ( 1.927 5.393 7.488) 9.427 16.332 ( 0.781 0.786 3.737) 3.898 16.804 ( -2.483 -3.179 -8.486) 9.395 17.089 ( 2.745 -1.592 0.252) 3.183 18.307 ( 1.995 7.713 3.815) 8.833 18.908 ( 2.731 -9.398 -3.417) 10.366 23.026 ( -4.062 2.752 16.891) 17.589 24.137 ( 0.715 -0.529 -4.357) 4.447 29.031 ( 1.240 5.484 0.259) 5.629 29.672 ( 4.320 -3.973 -0.921) 5.942 29.774 ( 2.905 0.328 3.961) 4.923 29.880 ( 1.581 0.869 -0.086) 1.806 30.319 ( 2.381 -7.213 5.101) 9.150 30.957 ( -12.458 -8.451 -7.082) 16.636 31.527 ( 3.401 13.757 -0.733) 14.190 34.265 ( 0.375 0.210 -10.615) 10.624 ======================= Grid point 119 (45/227) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -9.315 11.842 37.701) 40.600 2.791 ( 22.407 21.237 7.653) 31.806 3.070 ( -3.255 3.665 -4.557) 6.693 3.654 ( 3.739 5.876 -18.007) 19.307 4.122 ( 10.081 -4.701 8.353) 13.910 4.896 ( 0.124 -6.699 -1.724) 6.919 4.976 ( 4.344 0.572 6.717) 8.019 5.215 ( 9.652 -6.246 10.036) 15.261 5.841 ( 5.461 -2.071 -2.021) 6.180 5.972 ( -3.309 -7.897 4.432) 9.641 6.802 ( -2.082 0.849 -6.167) 6.564 7.161 ( -3.637 0.485 -1.136) 3.841 7.500 ( 5.938 -5.057 3.839) 8.693 7.677 ( 4.306 0.611 1.914) 4.751 8.405 ( -11.061 22.406 -3.132) 25.183 8.929 ( -0.153 -8.748 -3.327) 9.360 9.294 ( -2.729 3.152 -3.114) 5.204 9.823 ( -3.759 -6.724 -2.144) 7.996 10.275 ( -2.475 6.896 3.853) 8.278 10.575 ( -4.928 -9.052 -5.923) 11.887 10.779 ( -1.720 -1.875 2.623) 3.654 11.144 ( 1.898 3.163 -3.703) 5.227 12.675 ( -0.859 -0.055 4.619) 4.699 14.517 ( 6.877 -1.722 -8.881) 11.364 15.374 ( 0.239 1.094 0.713) 1.328 15.498 ( 0.119 -2.978 -1.146) 3.193 15.896 ( 2.566 7.580 1.991) 8.247 16.357 ( 3.212 3.987 3.509) 6.207 16.774 ( -2.686 -6.925 -6.462) 9.845 17.128 ( 0.013 -0.960 0.732) 1.207 18.264 ( -0.098 6.092 4.444) 7.542 19.019 ( 1.097 -7.195 -2.690) 7.759 23.013 ( -6.720 3.960 13.381) 15.489 24.137 ( 1.913 -1.279 -4.381) 4.949 29.013 ( 2.294 2.825 0.996) 3.773 29.658 ( -4.820 1.035 -3.090) 5.818 29.858 ( 7.865 2.622 2.407) 8.632 29.887 ( -0.574 0.138 1.955) 2.042 30.525 ( 4.900 -5.603 3.337) 8.157 30.746 ( -17.554 -9.290 -7.751) 21.319 31.511 ( 11.846 10.755 2.378) 16.176 34.202 ( -0.578 -1.783 -9.240) 9.428 ======================= Grid point 120 (46/227) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -11.295 10.545 40.095) 42.969 2.788 ( 6.542 22.639 -0.526) 23.571 2.937 ( 8.175 14.689 -4.428) 17.384 3.457 ( -3.240 4.964 -20.026) 20.885 4.328 ( 3.298 0.843 4.547) 5.680 4.807 ( -1.968 7.723 -4.900) 9.356 5.060 ( -0.624 -2.581 9.581) 9.942 5.394 ( 0.106 2.903 8.734) 9.205 5.864 ( -1.511 0.643 -0.062) 1.644 6.085 ( 1.700 -5.023 1.876) 5.625 6.732 ( -1.276 0.468 -2.316) 2.685 7.147 ( 2.720 -3.529 0.112) 4.457 7.669 ( 3.974 -4.709 4.541) 7.654 7.750 ( 3.794 0.026 -2.340) 4.458 8.096 ( -1.830 10.091 0.847) 10.291 9.017 ( 1.585 -6.467 -2.790) 7.219 9.149 ( -6.977 1.901 -6.854) 9.963 9.863 ( -2.216 -9.026 -2.494) 9.623 10.201 ( -0.489 5.688 5.068) 7.634 10.613 ( -3.923 -11.474 -1.502) 12.218 10.777 ( -0.213 1.919 -0.572) 2.014 11.131 ( 3.918 1.866 -3.260) 5.428 12.683 ( -2.283 0.482 5.065) 5.577 14.561 ( 5.579 -0.516 -7.890) 9.677 15.378 ( 2.392 1.459 -0.345) 2.823 15.542 ( 1.034 -3.481 -0.430) 3.657 15.829 ( 1.630 7.396 -2.984) 8.140 16.398 ( 6.621 4.911 3.836) 9.092 16.792 ( -2.256 -7.621 -4.251) 9.013 17.120 ( -2.300 0.209 0.102) 2.312 18.223 ( -2.185 3.829 5.861) 7.334 19.071 ( -0.389 -3.636 -2.874) 4.651 22.931 ( -8.469 4.246 9.745) 13.591 24.158 ( 1.879 -1.909 -2.894) 3.943 29.031 ( 3.130 2.915 1.738) 4.616 29.537 ( -6.813 -0.578 -2.738) 7.366 29.874 ( -0.114 1.587 0.361) 1.631 29.955 ( 5.867 2.127 0.942) 6.311 30.419 ( -7.786 3.423 -6.549) 10.735 30.799 ( -1.968 -12.176 2.602) 12.605 31.599 ( 11.584 7.341 4.124) 14.320 34.154 ( -1.290 -3.052 -9.019) 9.608 ======================= Grid point 121 (47/227) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -20.813 11.951 45.363) 51.321 2.508 ( 2.595 25.583 -5.296) 26.253 2.744 ( -5.982 16.285 -12.959) 21.654 3.204 ( 1.824 10.064 -14.399) 17.662 4.187 ( -10.230 8.702 -6.049) 14.730 4.645 ( -1.487 13.540 0.028) 13.622 5.149 ( -3.662 5.312 10.901) 12.667 5.340 ( 0.896 8.677 12.793) 15.484 5.832 ( 0.083 1.638 -0.575) 1.738 6.107 ( -3.760 -0.702 -1.196) 4.008 6.760 ( 5.346 1.140 5.522) 7.770 7.317 ( 9.896 -6.964 -1.221) 12.162 7.703 ( 1.556 5.303 -2.221) 5.956 7.831 ( 3.036 -7.993 1.695) 8.717 8.095 ( 0.934 -6.097 -0.629) 6.200 8.972 ( -7.537 -0.182 -6.522) 9.969 9.089 ( 1.977 -3.455 -2.431) 4.664 9.931 ( -1.153 -8.730 -2.540) 9.165 10.202 ( 1.004 1.779 6.241) 6.567 10.705 ( -1.705 -10.054 -4.131) 11.003 10.715 ( -1.394 2.748 0.574) 3.135 11.142 ( 3.280 1.382 -5.950) 6.934 12.669 ( -3.149 1.599 5.455) 6.499 14.596 ( 6.363 -0.242 -6.837) 9.343 15.402 ( 3.785 1.736 -0.867) 4.253 15.606 ( 1.858 -4.019 -0.582) 4.466 15.743 ( 1.830 5.128 -4.317) 6.949 16.481 ( 8.978 5.433 3.788) 11.156 16.822 ( -1.913 -6.394 -3.064) 7.344 17.052 ( -5.118 1.380 -1.611) 5.541 18.191 ( -4.173 1.499 7.737) 8.917 19.058 ( -1.271 -0.048 -3.189) 3.433 22.812 ( -9.003 3.743 7.393) 12.236 24.197 ( 0.925 -2.838 -0.111) 2.987 29.052 ( 3.986 4.460 2.457) 6.467 29.455 ( -5.822 -3.736 -1.449) 7.068 29.843 ( -1.465 1.740 -0.753) 2.397 29.965 ( 0.865 2.110 -4.106) 4.697 30.296 ( 0.129 3.639 1.635) 3.992 30.872 ( -3.358 -4.976 -1.225) 6.126 31.726 ( 10.130 3.441 4.716) 11.691 34.095 ( -2.469 -2.781 -10.979) 11.592 ======================= Grid point 122 (48/227) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -32.343 15.747 35.799) 50.750 2.053 ( -17.577 27.853 -7.446) 33.767 2.399 ( 3.255 18.826 -0.022) 19.105 2.993 ( 0.915 21.533 -6.686) 22.565 3.875 ( -8.167 8.089 -5.027) 12.546 4.425 ( -3.093 16.242 0.690) 16.548 4.884 ( -14.896 18.806 10.145) 26.047 5.445 ( 7.874 9.703 11.292) 16.842 5.823 ( 2.009 1.213 -1.129) 2.604 6.002 ( -9.582 -1.035 0.509) 9.652 6.947 ( 12.834 0.207 10.132) 16.352 7.481 ( 8.827 -2.930 -11.844) 15.059 7.732 ( 3.302 -3.536 2.563) 5.475 7.980 ( 4.895 -5.378 0.246) 7.276 8.191 ( -3.233 -14.915 -4.149) 15.816 8.868 ( -3.513 -2.551 -2.593) 5.057 9.130 ( 1.543 -0.571 0.170) 1.654 10.006 ( 0.374 -6.959 -1.678) 7.168 10.247 ( -0.679 -0.817 3.632) 3.784 10.605 ( 0.363 7.018 -4.233) 8.204 10.826 ( -1.242 -11.496 -0.260) 11.566 11.075 ( -1.754 1.941 -10.398) 10.722 12.628 ( -3.537 3.403 5.326) 7.243 14.663 ( 9.261 -0.318 -8.175) 12.357 15.423 ( 3.306 2.681 -0.863) 4.343 15.678 ( 2.206 -2.693 -0.366) 3.500 15.737 ( 5.581 -1.206 -2.835) 6.375 16.563 ( 8.632 6.280 1.483) 10.777 16.846 ( -0.956 -3.660 -1.815) 4.196 16.910 ( -8.963 1.797 -3.086) 9.649 18.176 ( -5.765 -0.828 9.499) 11.143 18.995 ( -1.689 2.816 -3.203) 4.587 22.695 ( -8.091 2.780 7.024) 11.069 24.259 ( -1.197 -5.221 4.683) 7.115 29.083 ( 5.432 4.578 2.950) 7.692 29.421 ( -4.673 -3.402 -0.112) 5.781 29.773 ( -0.128 3.666 -4.670) 5.939 29.939 ( -1.655 -2.216 2.014) 3.421 30.309 ( 3.616 4.201 3.657) 6.640 30.813 ( -5.793 0.234 -3.683) 6.868 31.877 ( 9.767 0.503 3.083) 10.254 33.971 ( -3.558 0.659 -16.349) 16.745 ======================= Grid point 123 (49/227) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -22.637 21.384 9.470) 32.549 1.528 ( -20.388 23.919 30.364) 43.701 2.189 ( 1.573 38.662 15.976) 41.862 2.600 ( -6.064 23.023 -0.257) 23.810 3.730 ( 1.680 5.517 -2.115) 6.143 4.183 ( -5.631 13.647 1.867) 14.881 4.527 ( -10.424 15.817 8.580) 20.795 5.350 ( -2.045 18.688 -2.431) 18.956 5.848 ( 3.570 0.965 1.223) 3.896 5.966 ( -8.313 -8.575 12.436) 17.242 7.177 ( 5.457 -3.323 -0.960) 6.461 7.580 ( 11.194 -2.324 -3.732) 12.026 7.802 ( 0.335 -4.117 -3.734) 5.568 8.078 ( 2.218 -4.054 -13.587) 14.352 8.340 ( 1.693 -15.302 3.863) 15.873 8.894 ( -0.162 -3.412 5.245) 6.259 9.167 ( 2.981 1.135 5.200) 6.100 10.087 ( 2.056 -5.527 -7.634) 9.646 10.193 ( -3.645 3.525 0.161) 5.073 10.539 ( 2.160 3.720 0.490) 4.330 10.870 ( -2.748 1.966 -7.476) 8.204 10.993 ( -0.107 -7.212 -1.350) 7.338 12.562 ( -3.467 4.606 5.010) 7.638 14.729 ( 10.247 1.110 -15.019) 18.216 15.419 ( 2.109 3.567 -0.427) 4.166 15.743 ( 3.072 -2.032 -1.288) 3.902 15.882 ( 8.913 -5.990 -2.122) 10.946 16.583 ( 4.419 6.357 -2.114) 8.026 16.709 ( -7.986 4.406 -2.605) 9.485 16.868 ( -1.489 -3.112 -0.289) 3.463 18.173 ( -6.882 -2.264 9.231) 11.735 18.898 ( -1.968 4.962 -2.919) 6.083 22.619 ( -5.695 1.689 8.646) 10.490 24.369 ( -6.164 -11.990 12.301) 18.251 29.130 ( 4.328 3.749 1.774) 5.995 29.395 ( -2.560 -0.983 1.129) 2.966 29.704 ( 2.634 4.685 -5.457) 7.660 30.018 ( -2.716 -8.831 9.647) 13.358 30.315 ( 1.066 3.996 -0.634) 4.184 30.672 ( -4.834 3.553 -1.644) 6.221 32.046 ( 10.035 -0.809 2.739) 10.434 33.733 ( 1.896 10.555 -24.098) 26.376 ======================= Grid point 124 (50/227) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 5.984 20.061 28.590) 35.435 1.275 ( -4.319 21.378 36.953) 42.909 1.746 ( -4.076 39.562 33.287) 51.863 2.439 ( 11.375 19.326 14.133) 26.507 3.686 ( 2.531 6.235 -1.538) 6.902 3.980 ( -4.569 6.523 -0.459) 7.977 4.367 ( -1.686 7.989 11.809) 14.357 4.980 ( -8.623 16.575 -12.006) 22.209 5.927 ( 4.841 -0.472 4.064) 6.338 6.065 ( -11.463 -11.321 14.760) 21.850 7.063 ( -16.068 0.443 -15.788) 22.531 7.733 ( 0.363 2.951 -3.163) 4.341 7.837 ( 0.770 -5.022 -4.595) 6.851 7.889 ( 2.080 4.830 -21.131) 21.775 8.752 ( 11.866 -21.728 9.053) 26.361 8.967 ( -1.195 -0.300 7.796) 7.893 9.392 ( 9.380 -15.699 19.347) 26.622 9.959 ( -1.189 2.903 -10.431) 10.893 10.327 ( 10.842 -7.074 1.860) 13.079 10.523 ( -3.203 1.847 2.380) 4.397 10.812 ( 15.911 8.402 -1.006) 18.021 11.108 ( 1.985 -7.275 0.055) 7.542 12.498 ( -2.464 4.078 5.117) 6.992 14.664 ( 5.540 7.993 -24.583) 26.437 15.394 ( 0.431 3.433 0.433) 3.487 15.762 ( 0.303 0.671 -5.693) 5.740 15.994 ( -1.137 -0.755 -4.018) 4.243 16.524 ( 1.459 4.067 0.071) 4.321 16.603 ( 1.110 3.067 -1.710) 3.683 16.870 ( -0.309 -1.095 -1.666) 2.017 18.151 ( -6.022 -1.564 5.830) 8.526 18.784 ( 0.110 7.290 -2.272) 7.636 22.618 ( -2.228 0.730 11.793) 12.024 24.510 ( -19.277 -20.442 15.039) 31.869 29.103 ( -2.829 3.123 -0.483) 4.241 29.401 ( 0.979 0.247 2.490) 2.687 29.621 ( 2.096 9.148 -8.485) 12.652 30.058 ( -15.391 -3.906 0.681) 15.894 30.259 ( -1.429 -2.349 3.653) 4.572 30.721 ( 10.362 -2.383 6.925) 12.689 32.179 ( -2.084 -1.856 4.730) 5.491 33.628 ( 39.197 13.542 -22.284) 47.078 ======================= Grid point 127 (51/227) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -4.359 0.000 43.642) 43.859 2.780 ( 18.458 -0.000 20.754) 27.774 3.219 ( 8.344 -0.000 -4.787) 9.620 3.779 ( 14.655 -0.000 -7.251) 16.350 3.816 ( 12.768 -0.000 -9.810) 16.102 4.353 ( 8.270 -0.000 -1.910) 8.487 4.433 ( 26.676 -0.000 13.254) 29.787 5.064 ( 6.591 -0.000 17.478) 18.679 5.762 ( -2.428 0.000 -3.675) 4.405 5.816 ( -3.846 0.000 1.973) 4.322 6.964 ( -4.769 0.000 -10.993) 11.983 7.041 ( 16.310 -0.000 12.384) 20.479 7.403 ( -9.499 0.000 -2.576) 9.842 7.667 ( 2.779 -0.000 -4.305) 5.124 8.761 ( -3.560 0.000 -2.721) 4.481 9.326 ( -3.827 0.000 -4.996) 6.293 9.585 ( -7.701 0.000 -7.367) 10.657 9.688 ( -19.493 0.000 2.106) 19.606 10.402 ( -5.562 0.000 7.922) 9.679 10.604 ( -0.131 0.000 9.959) 9.960 10.611 ( -5.987 0.000 -21.048) 21.883 11.240 ( -0.046 0.000 -3.619) 3.620 12.632 ( 1.556 -0.000 4.505) 4.766 14.402 ( 9.397 -0.000 -8.959) 12.983 15.371 ( 0.096 -0.000 2.597) 2.599 15.471 ( -1.240 0.000 -3.020) 3.264 16.003 ( 3.814 -0.000 12.785) 13.342 16.316 ( 1.115 -0.000 1.388) 1.781 16.767 ( -4.132 0.000 -9.650) 10.498 17.062 ( 2.793 -0.000 0.579) 2.852 18.470 ( 3.321 -0.000 5.542) 6.461 18.723 ( 2.594 -0.000 -6.364) 6.872 23.061 ( -4.534 0.000 18.642) 19.185 24.130 ( 0.218 -0.000 -4.549) 4.554 29.157 ( -0.615 0.000 -3.966) 4.014 29.551 ( 8.080 -0.000 4.753) 9.374 29.780 ( 4.858 -0.000 5.913) 7.653 29.895 ( 2.834 -0.000 -1.297) 3.117 30.236 ( -0.840 0.000 2.028) 2.195 30.844 ( -9.492 0.000 -6.065) 11.264 31.716 ( 0.780 -0.000 -0.835) 1.143 34.263 ( -1.418 0.000 -12.560) 12.640 ======================= Grid point 128 (52/227) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -6.392 11.224 37.991) 40.127 3.018 ( 7.101 -3.204 3.408) 8.504 3.432 ( 28.326 22.096 8.090) 36.825 3.780 ( 4.891 1.879 -21.794) 22.415 4.026 ( 13.505 -2.212 2.510) 13.914 4.546 ( 4.417 -15.669 -1.519) 16.350 4.882 ( 16.016 -4.702 9.697) 19.304 5.232 ( 4.380 3.297 12.983) 14.093 5.770 ( 4.844 -2.696 -1.728) 5.807 5.803 ( -4.003 -4.236 2.898) 6.509 6.856 ( 1.395 2.311 -7.826) 8.279 7.166 ( -7.546 -0.080 -2.174) 7.853 7.405 ( 6.857 -2.418 8.246) 10.994 7.707 ( 5.609 1.108 0.068) 5.718 8.740 ( -0.783 -3.064 -2.780) 4.211 8.946 ( -17.623 15.084 -11.438) 25.864 9.357 ( -9.436 2.990 -2.108) 10.120 9.631 ( -4.194 -9.070 -1.870) 10.166 10.379 ( -5.488 -1.109 7.298) 9.198 10.452 ( -1.083 1.735 -9.750) 9.962 10.688 ( -1.854 -4.042 8.328) 9.441 11.199 ( 0.204 1.091 -4.546) 4.680 12.678 ( 0.315 0.171 4.140) 4.155 14.482 ( 8.700 -0.875 -8.446) 12.157 15.396 ( 0.852 0.504 2.400) 2.597 15.450 ( 0.435 -0.953 -2.357) 2.580 16.098 ( 4.488 7.927 6.449) 11.161 16.377 ( 1.722 -3.799 2.903) 5.082 16.639 ( -3.779 -1.992 -9.915) 10.796 17.096 ( -0.062 -1.134 1.679) 2.027 18.467 ( 1.273 9.367 3.900) 10.226 18.793 ( 1.543 -9.915 -3.439) 10.607 23.084 ( -8.225 1.568 16.252) 18.283 24.112 ( 1.911 -0.576 -5.678) 6.019 29.104 ( 1.201 3.464 -2.791) 4.608 29.672 ( 1.310 -0.799 1.306) 2.015 29.859 ( -0.139 0.350 5.344) 5.357 29.923 ( 2.777 0.481 -0.812) 2.932 30.327 ( 6.491 -5.487 4.236) 9.497 30.643 ( -11.163 -1.755 -7.909) 13.793 31.744 ( 7.171 6.192 2.048) 9.693 34.151 ( -2.543 -1.649 -12.096) 12.469 ======================= Grid point 129 (53/227) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -6.030 14.730 36.107) 39.460 3.113 ( 7.036 7.519 -2.766) 10.662 3.554 ( 17.404 14.811 -12.094) 25.856 3.591 ( 3.272 18.732 -4.899) 19.637 4.272 ( 10.156 -3.728 2.840) 11.185 4.753 ( 0.973 -12.949 0.578) 12.999 5.053 ( -1.197 1.049 3.899) 4.211 5.406 ( 10.078 0.326 10.718) 14.716 5.810 ( -4.209 -4.154 3.359) 6.801 5.941 ( 8.829 -5.618 -0.463) 10.475 6.798 ( 0.856 4.966 -3.880) 6.360 7.070 ( -1.888 -3.430 -1.494) 4.191 7.555 ( 3.167 -2.245 4.022) 5.590 7.796 ( 5.742 1.023 3.050) 6.582 8.387 ( -14.753 12.196 -10.942) 22.049 8.866 ( 3.374 -6.279 -2.582) 7.581 9.159 ( -11.735 -0.107 -3.631) 12.285 9.686 ( 0.128 -5.249 -0.349) 5.262 10.359 ( -0.972 2.983 -3.541) 4.731 10.387 ( -3.931 -2.630 7.369) 8.756 10.752 ( -2.315 -3.663 3.870) 5.810 11.179 ( 3.333 1.524 -2.666) 4.532 12.696 ( -1.241 0.516 4.232) 4.440 14.547 ( 6.907 -0.407 -7.733) 10.376 15.415 ( 2.333 1.381 0.358) 2.735 15.475 ( 1.467 -1.888 -0.413) 2.427 16.023 ( -0.840 8.471 -4.347) 9.558 16.477 ( 2.734 -2.430 3.725) 5.220 16.602 ( 1.696 -3.636 -5.652) 6.931 17.111 ( -2.017 -0.938 2.380) 3.258 18.383 ( -0.708 8.861 4.073) 9.778 18.909 ( 0.181 -9.148 -2.207) 9.413 23.019 ( -10.869 2.630 12.528) 16.793 24.117 ( 2.542 -1.319 -5.434) 6.142 29.086 ( 2.895 1.654 -1.615) 3.705 29.597 ( -5.695 4.942 -1.842) 7.762 29.870 ( -2.535 -1.846 2.771) 4.185 29.963 ( 0.830 -2.127 -1.844) 2.935 30.461 ( -3.612 0.693 -2.880) 4.671 30.585 ( 8.428 -4.907 5.054) 10.984 31.793 ( 8.109 7.479 3.219) 11.491 34.061 ( -2.867 -3.923 -11.290) 12.291 ======================= Grid point 130 (54/227) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -11.264 15.578 40.567) 44.892 3.009 ( 7.121 17.307 -8.769) 20.667 3.168 ( -17.535 10.871 -19.180) 28.170 3.580 ( 20.668 22.992 -4.915) 31.304 4.339 ( -4.343 3.035 -1.347) 5.467 4.925 ( 8.569 7.569 0.413) 11.440 5.074 ( 1.024 -8.137 10.839) 13.592 5.540 ( 1.529 5.980 10.095) 11.832 5.828 ( -1.332 -2.396 2.647) 3.810 6.089 ( 4.777 -1.648 -3.039) 5.897 6.760 ( 3.619 1.287 1.449) 4.105 7.183 ( 8.104 -4.990 1.774) 9.681 7.638 ( 1.674 -3.447 0.340) 3.847 7.848 ( 1.320 3.218 0.665) 3.541 8.047 ( -10.542 0.679 -7.757) 13.106 8.878 ( -10.532 -8.647 -11.653) 17.930 9.057 ( 3.062 2.478 4.423) 5.922 9.752 ( 1.015 -4.669 -0.522) 4.806 10.303 ( 0.207 4.455 2.928) 5.335 10.438 ( -3.158 -7.916 3.032) 9.046 10.759 ( -2.489 -1.279 -0.006) 2.798 11.210 ( 5.602 3.233 -1.660) 6.678 12.696 ( -2.050 0.669 4.945) 5.395 14.589 ( 5.759 -0.090 -6.630) 8.783 15.442 ( 3.939 1.527 -0.647) 4.274 15.522 ( 1.613 -2.459 -0.407) 2.969 15.856 ( -3.737 3.774 -8.335) 9.883 16.572 ( 3.766 -1.209 3.729) 5.436 16.663 ( 5.149 -2.193 -3.921) 6.834 17.082 ( -4.198 0.742 1.396) 4.485 18.297 ( -2.619 6.837 5.851) 9.372 18.982 ( -0.720 -6.159 -2.450) 6.668 22.894 ( -11.659 2.787 9.268) 15.152 24.139 ( 2.307 -1.932 -4.276) 5.229 29.120 ( 3.950 0.145 -0.736) 4.021 29.432 ( -6.781 3.226 -0.927) 7.566 29.864 ( -2.249 -0.697 0.498) 2.407 29.943 ( -4.113 -3.315 -5.352) 7.520 30.427 ( 5.322 6.419 2.678) 8.758 30.782 ( 5.396 -2.488 4.307) 7.339 31.846 ( 6.940 5.709 3.614) 9.686 33.994 ( -3.249 -4.931 -10.651) 12.178 ======================= Grid point 131 (55/227) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -24.076 19.806 34.888) 46.788 2.562 ( -22.128 13.228 -12.392) 28.604 2.894 ( 15.998 20.889 -4.712) 26.730 3.547 ( 14.173 22.076 -2.035) 26.313 4.101 ( -10.250 10.042 -4.733) 15.110 4.832 ( 1.295 15.278 1.005) 15.365 5.263 ( -1.275 8.046 11.056) 13.733 5.532 ( 1.594 0.859 10.119) 10.280 5.862 ( 2.942 1.027 -0.314) 3.132 6.061 ( -1.778 4.762 -3.463) 6.150 6.908 ( 9.597 -2.694 6.454) 11.875 7.391 ( 9.864 -3.979 -3.223) 11.114 7.664 ( -1.266 -2.475 -2.242) 3.572 7.836 ( 0.254 -4.314 -0.068) 4.322 7.927 ( -7.278 -7.172 -5.331) 11.525 8.750 ( -8.323 -7.212 -5.838) 12.465 9.130 ( 4.180 0.935 2.456) 4.937 9.826 ( 1.139 -5.621 -0.857) 5.799 10.294 ( 0.811 2.986 4.010) 5.066 10.526 ( -1.870 -10.477 -0.579) 10.658 10.724 ( -1.811 1.216 0.287) 2.200 11.197 ( 3.470 6.638 -5.327) 9.192 12.691 ( -2.105 1.540 5.446) 6.038 14.638 ( 6.385 -1.022 -6.182) 8.946 15.478 ( 4.202 1.749 -1.053) 4.671 15.575 ( 1.291 -3.749 -1.334) 4.183 15.737 ( -1.632 -0.543 -6.053) 6.293 16.670 ( 3.020 -2.153 3.288) 4.956 16.726 ( 5.702 1.052 -3.909) 6.993 16.985 ( -6.293 2.731 -0.645) 6.891 18.224 ( -4.446 4.659 8.037) 10.299 19.006 ( -0.687 -2.585 -2.852) 3.910 22.757 ( -10.422 2.291 7.759) 13.193 24.169 ( 1.387 -2.557 -2.532) 3.856 29.175 ( 4.297 0.915 0.157) 4.396 29.334 ( -4.495 -1.052 1.239) 4.780 29.828 ( -1.584 0.528 -2.430) 2.949 29.883 ( -3.828 -2.267 -2.636) 5.171 30.460 ( 6.426 7.610 3.788) 10.656 30.849 ( 0.762 2.245 1.304) 2.706 31.919 ( 6.602 2.591 3.798) 8.045 33.923 ( -3.337 -3.759 -11.082) 12.168 ======================= Grid point 132 (56/227) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -20.765 21.472 12.390) 32.338 2.122 ( -15.405 20.664 18.635) 31.806 2.901 ( 17.814 21.598 6.799) 28.810 3.304 ( -5.481 30.557 3.311) 31.220 3.893 ( 3.442 7.056 -3.708) 8.683 4.624 ( -0.282 20.206 -0.871) 20.227 4.986 ( -13.382 20.863 8.139) 26.088 5.685 ( 3.908 -0.519 6.314) 7.444 5.825 ( -7.231 1.489 -7.639) 10.623 5.943 ( 2.731 8.432 6.284) 10.865 7.093 ( 3.727 -2.837 -2.328) 5.230 7.505 ( 8.126 -4.095 -3.205) 9.647 7.690 ( -1.241 -3.977 -3.511) 5.448 7.910 ( 0.493 -8.030 -4.832) 9.384 7.976 ( -0.303 -13.679 1.418) 13.756 8.759 ( -1.095 -7.749 1.629) 7.993 9.180 ( 1.661 0.645 2.873) 3.381 9.907 ( 0.625 -6.650 -1.445) 6.833 10.278 ( -1.517 2.888 0.479) 3.297 10.596 ( -0.190 -4.901 -5.532) 7.393 10.722 ( -0.570 -3.513 4.215) 5.517 11.092 ( 2.984 8.846 -6.242) 11.230 12.665 ( -2.531 3.345 4.970) 6.504 14.698 ( 5.646 -2.206 -9.374) 11.163 15.498 ( 2.836 2.622 -0.995) 3.989 15.642 ( 0.996 -5.089 0.181) 5.189 15.756 ( 4.830 -4.554 -3.310) 7.418 16.727 ( -0.512 2.687 -3.341) 4.318 16.742 ( 1.430 0.380 1.813) 2.340 16.850 ( -2.934 2.621 -2.537) 4.681 18.168 ( -5.933 2.415 9.643) 11.576 18.989 ( 0.245 1.182 -2.909) 3.149 22.658 ( -7.382 1.483 8.350) 11.243 24.205 ( -0.308 -3.587 -0.206) 3.606 29.214 ( 2.897 2.252 0.548) 3.710 29.336 ( -1.604 -3.100 3.138) 4.694 29.786 ( 0.630 2.270 -2.135) 3.179 29.865 ( -2.178 -4.146 0.598) 4.722 30.454 ( 2.085 7.231 0.488) 7.541 30.787 ( -1.846 5.367 -0.134) 5.677 32.031 ( 6.024 -0.351 4.369) 7.450 33.830 ( -0.261 -0.166 -12.785) 12.789 ======================= Grid point 133 (57/227) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -10.047 16.866 29.562) 35.487 1.874 ( 2.920 25.292 24.351) 35.230 2.793 ( -7.829 37.479 11.885) 40.090 2.966 ( 15.481 21.988 12.687) 29.733 3.888 ( 7.489 9.031 0.218) 11.735 4.307 ( -4.202 20.859 -3.481) 21.561 4.653 ( -6.627 14.730 7.885) 17.974 5.425 ( -9.776 16.961 -15.123) 24.738 5.825 ( -4.863 -7.019 6.546) 10.759 6.005 ( 5.975 3.895 9.116) 11.575 7.020 ( -9.036 -2.591 -12.619) 15.735 7.669 ( -4.044 -7.780 -9.762) 13.121 7.702 ( 8.520 -3.304 2.980) 9.611 7.927 ( -1.801 -2.283 -10.883) 11.265 8.244 ( 6.298 -17.770 8.921) 20.857 8.896 ( 2.049 -6.022 7.241) 9.638 9.224 ( -0.032 -2.208 4.700) 5.193 9.966 ( -0.272 -4.215 -6.012) 7.347 10.206 ( -1.529 -0.222 -0.065) 1.547 10.587 ( 1.275 1.211 -3.034) 3.507 10.828 ( 1.090 -7.857 1.516) 8.076 11.047 ( 7.957 5.818 -1.057) 9.914 12.610 ( -2.727 4.466 4.615) 6.977 14.696 ( 2.065 -1.890 -14.677) 14.942 15.482 ( 0.816 3.316 -0.416) 3.440 15.705 ( -0.119 -3.914 -1.256) 4.112 15.913 ( 5.940 -5.343 -0.595) 8.012 16.618 ( -0.888 3.375 -2.730) 4.431 16.702 ( -1.854 4.373 -1.881) 5.108 16.842 ( 1.928 -0.719 -1.242) 2.404 18.127 ( -6.235 0.671 9.193) 11.128 18.948 ( 1.995 4.718 -2.594) 5.742 22.633 ( -3.407 0.525 10.579) 11.126 24.242 ( -3.121 -5.089 2.277) 6.389 29.193 ( -2.080 3.532 0.195) 4.104 29.386 ( 0.695 -1.754 3.385) 3.875 29.757 ( 2.110 3.077 -2.419) 4.446 29.929 ( -1.008 -4.964 3.749) 6.302 30.334 ( -3.577 6.628 -3.829) 8.449 30.736 ( 2.794 2.525 2.026) 4.276 32.129 ( -1.827 -2.012 5.424) 6.067 33.787 ( 12.108 2.156 -13.873) 18.539 ======================= Grid point 134 (58/227) ======================= q-point: (-0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -9.364 7.217 38.321) 40.103 1.865 ( 5.404 29.092 22.375) 37.097 2.533 ( 18.732 25.567 28.729) 42.778 3.044 ( 15.703 20.255 18.120) 31.388 3.840 ( 2.516 11.742 1.854) 12.150 4.051 ( 4.670 13.871 -7.794) 16.582 4.546 ( 0.494 7.754 11.960) 14.262 4.932 ( -10.625 16.277 -18.250) 26.663 5.864 ( -4.605 -5.176 3.349) 7.695 6.119 ( 4.444 0.521 7.269) 8.536 6.735 ( -14.291 5.107 -11.132) 18.821 7.621 ( -5.785 -9.531 -11.975) 16.362 7.711 ( -5.981 6.926 -10.099) 13.628 7.861 ( 2.472 -2.338 -3.870) 5.153 8.714 ( 8.657 -23.844 12.949) 28.481 9.014 ( 0.265 -0.082 7.047) 7.052 9.310 ( -3.449 -9.847 6.212) 12.142 9.923 ( 1.045 0.154 -6.500) 6.585 10.301 ( 0.958 -9.814 1.897) 10.041 10.567 ( 1.385 3.573 0.215) 3.838 10.969 ( 4.865 -8.131 -0.857) 9.514 11.149 ( 8.993 -1.340 -2.193) 9.353 12.557 ( -1.499 4.058 4.976) 6.594 14.591 ( -0.026 2.385 -17.276) 17.440 15.438 ( -0.951 3.539 0.587) 3.711 15.700 ( -2.279 -0.646 -3.788) 4.468 15.936 ( -5.630 1.519 2.327) 6.278 16.532 ( -7.735 3.780 -1.268) 8.702 16.713 ( 13.923 -0.720 -5.971) 15.167 16.874 ( 2.789 0.145 -0.403) 2.822 18.111 ( -3.118 -0.994 6.796) 7.543 18.900 ( 4.089 7.130 -2.758) 8.669 22.695 ( -0.283 -0.511 13.540) 13.552 24.258 ( -6.187 -4.996 2.948) 8.481 29.078 ( -5.856 3.983 0.844) 7.133 29.447 ( 2.536 -0.844 2.923) 3.960 29.720 ( 3.936 7.503 -4.961) 9.818 29.919 ( -4.144 1.282 0.304) 4.349 30.251 ( -0.963 0.141 2.921) 3.079 30.845 ( 7.566 -3.558 1.995) 8.595 32.055 ( -14.419 -1.008 3.535) 14.880 33.984 ( 23.512 -4.766 -12.970) 27.272 ======================= Grid point 138 (59/227) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -9.141 0.000 37.106) 38.216 3.184 ( 18.155 -0.000 -1.852) 18.250 3.620 ( -3.254 0.000 -24.468) 24.684 4.166 ( 27.609 -0.000 19.403) 33.745 4.222 ( 14.553 -0.000 -4.456) 15.220 4.376 ( -4.026 0.000 -6.918) 8.004 5.029 ( 0.340 -0.000 5.689) 5.699 5.437 ( 10.125 -0.000 10.260) 14.414 5.746 ( -2.828 0.000 1.671) 3.285 5.857 ( 9.873 -0.000 0.591) 9.891 6.903 ( 7.926 -0.000 -4.279) 9.007 6.995 ( -9.701 0.000 -2.582) 10.038 7.530 ( 3.095 -0.000 6.844) 7.511 7.807 ( 5.739 -0.000 1.289) 5.882 8.617 ( -21.894 0.000 -18.933) 28.945 8.716 ( -0.655 0.000 -4.793) 4.837 9.165 ( -9.294 0.000 3.153) 9.814 9.614 ( 3.776 -0.000 1.456) 4.047 10.290 ( -4.786 0.000 -0.405) 4.803 10.501 ( 2.626 -0.000 4.034) 4.814 10.661 ( -5.758 0.000 6.553) 8.723 11.198 ( 3.216 -0.000 -2.149) 3.867 12.703 ( -0.976 0.000 3.810) 3.933 14.543 ( 7.698 -0.000 -7.638) 10.844 15.440 ( 1.628 -0.000 3.078) 3.482 15.445 ( 2.382 -0.000 -2.647) 3.561 16.207 ( -10.496 0.000 -11.509) 15.576 16.314 ( 7.408 -0.000 5.058) 8.970 16.614 ( 5.469 -0.000 -1.110) 5.580 17.093 ( -1.652 0.000 3.095) 3.508 18.597 ( -0.620 0.000 6.079) 6.110 18.689 ( 0.829 -0.000 -4.757) 4.829 23.052 ( -11.851 0.000 13.583) 18.026 24.100 ( 2.865 -0.000 -6.395) 7.007 29.110 ( 0.891 -0.000 -4.075) 4.172 29.701 ( 0.467 -0.000 0.367) 0.594 29.822 ( -8.656 0.000 0.491) 8.670 29.905 ( -2.449 0.000 -0.021) 2.449 30.483 ( 13.046 -0.000 5.720) 14.245 30.521 ( 0.453 -0.000 -1.700) 1.759 31.900 ( 5.717 -0.000 3.795) 6.862 34.004 ( -2.963 0.000 -13.145) 13.475 ======================= Grid point 139 (60/227) ======================= q-point: (-0.60 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -10.635 7.508 33.026) 35.499 3.272 ( -13.355 5.169 -19.323) 24.051 3.415 ( 13.791 7.307 -6.593) 16.943 4.103 ( 6.520 14.815 -13.607) 21.146 4.387 ( 5.120 3.727 6.458) 9.045 4.724 ( 7.534 -14.402 14.116) 21.527 5.093 ( 9.645 2.108 1.570) 9.997 5.640 ( 7.348 3.220 9.186) 12.196 5.746 ( 0.149 -3.584 2.133) 4.173 6.031 ( 10.564 -2.011 -1.499) 10.858 6.845 ( -1.805 4.116 -0.461) 4.518 7.059 ( 8.901 -4.409 -0.138) 9.934 7.606 ( 1.903 -0.202 4.924) 5.283 7.878 ( 2.065 0.019 0.786) 2.210 8.121 ( -20.273 4.036 -17.382) 27.008 8.639 ( -9.217 -7.905 -10.375) 15.971 9.148 ( 1.396 3.050 7.721) 8.419 9.687 ( 3.139 -1.189 1.199) 3.564 10.246 ( -3.487 -3.383 -0.944) 4.949 10.496 ( -2.078 7.059 5.861) 9.407 10.665 ( -2.922 -5.958 2.514) 7.096 11.271 ( 7.095 1.415 2.178) 7.555 12.706 ( -2.097 0.195 4.008) 4.528 14.591 ( 6.114 0.154 -6.860) 9.191 15.471 ( 3.757 0.532 -1.508) 4.083 15.489 ( 1.663 -0.357 1.693) 2.400 15.918 ( -11.742 1.210 -13.352) 17.822 16.467 ( 6.469 -3.035 0.316) 7.153 16.707 ( 8.435 1.823 0.124) 8.631 17.085 ( -3.247 -0.216 3.443) 4.737 18.510 ( -1.721 10.016 3.513) 10.753 18.775 ( -0.579 -10.039 -1.043) 10.109 22.942 ( -13.267 1.050 10.307) 16.832 24.105 ( 3.243 -0.751 -6.211) 7.047 29.096 ( 0.900 -0.927 -3.792) 4.006 29.582 ( -6.391 7.642 -0.615) 9.981 29.768 ( -4.693 -6.612 -1.688) 8.281 29.879 ( -2.483 -1.284 0.009) 2.795 30.567 ( 7.430 3.932 2.798) 8.860 30.734 ( 11.326 -1.515 6.067) 12.938 31.969 ( 2.936 3.302 4.397) 6.233 33.888 ( -2.299 -2.813 -12.761) 13.268 ======================= Grid point 140 (61/227) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -17.546 4.572 7.260) 19.531 2.788 ( -21.069 13.604 9.316) 26.753 3.407 ( 16.698 19.455 -8.737) 27.086 3.977 ( 9.682 11.827 -9.283) 17.883 4.347 ( -6.922 9.439 7.336) 13.814 4.991 ( -3.262 -10.062 6.835) 12.594 5.274 ( 17.695 6.444 4.275) 19.311 5.690 ( 1.633 5.246 5.422) 7.719 5.857 ( 5.070 0.429 4.010) 6.478 6.145 ( 6.505 1.726 -3.688) 7.674 6.859 ( 5.712 -1.083 3.430) 6.750 7.281 ( 11.455 -5.061 2.312) 12.735 7.635 ( -4.675 0.898 -5.131) 6.999 7.741 ( -9.372 -2.973 -7.753) 12.522 7.860 ( -4.947 0.134 -1.859) 5.286 8.534 ( -9.322 -9.035 -6.457) 14.499 9.190 ( 2.921 3.397 4.727) 6.513 9.748 ( 2.406 -1.322 0.269) 2.758 10.256 ( -1.767 -6.005 -1.664) 6.477 10.419 ( -4.061 2.020 3.328) 5.626 10.709 ( -0.776 -1.883 2.557) 3.268 11.354 ( 6.352 5.349 1.140) 8.383 12.705 ( -2.122 -0.149 4.876) 5.320 14.625 ( 5.264 -0.032 -6.262) 8.181 15.511 ( 2.630 0.984 0.281) 2.822 15.517 ( 1.732 -0.966 -2.217) 2.974 15.694 ( -7.508 -2.615 -8.602) 11.713 16.584 ( 5.918 -2.169 -1.316) 6.439 16.804 ( 8.395 2.637 -1.118) 8.870 17.036 ( -5.504 1.363 1.827) 5.957 18.390 ( -3.099 8.567 5.163) 10.472 18.868 ( -0.805 -8.201 -1.401) 8.359 22.803 ( -11.901 1.376 8.064) 14.442 24.122 ( 3.013 -1.317 -5.427) 6.346 29.111 ( 0.604 -3.463 -2.529) 4.330 29.422 ( -3.774 5.938 1.747) 7.249 29.761 ( -3.098 -4.762 -3.404) 6.623 29.861 ( -1.904 -0.432 0.533) 2.024 30.643 ( 7.465 6.283 3.088) 10.234 30.901 ( 6.070 1.713 3.717) 7.320 31.991 ( 1.525 2.845 4.811) 5.793 33.819 ( -1.176 -3.978 -11.261) 12.001 ======================= Grid point 141 (62/227) ======================= q-point: (-0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -11.063 12.885 -2.986) 17.243 2.530 ( -18.226 16.124 27.794) 36.942 3.387 ( 18.173 18.263 -1.594) 25.814 3.927 ( 3.524 16.847 3.608) 17.585 4.090 ( -6.261 11.562 -0.237) 13.151 4.999 ( -0.901 6.511 1.489) 6.739 5.454 ( 3.539 -0.021 5.287) 6.362 5.570 ( -5.251 14.026 2.277) 15.149 5.902 ( 1.406 2.122 -3.213) 4.099 6.156 ( 4.850 6.110 0.350) 7.809 7.038 ( 5.726 -2.837 1.108) 6.485 7.399 ( 1.512 -3.167 -8.185) 8.906 7.574 ( 0.677 -8.165 2.427) 8.545 7.739 ( -5.417 -3.128 -6.492) 9.015 7.755 ( 0.909 -3.445 0.919) 3.679 8.535 ( -2.835 -9.592 1.180) 10.071 9.213 ( 1.191 1.929 2.029) 3.043 9.797 ( 1.351 -2.422 -0.375) 2.799 10.294 ( -0.886 -3.685 -3.075) 4.880 10.393 ( -3.042 -5.386 -0.042) 6.186 10.724 ( -0.741 0.448 3.052) 3.173 11.323 ( 3.120 9.171 -2.879) 10.106 12.712 ( -2.140 0.400 5.128) 5.571 14.654 ( 3.943 -1.135 -7.740) 8.761 15.531 ( 1.286 -3.155 -0.016) 3.407 15.545 ( 2.413 0.770 -1.318) 2.855 15.650 ( -0.041 -3.894 -1.943) 4.352 16.680 ( 5.216 -1.533 -1.552) 5.653 16.851 ( 3.471 3.997 -2.228) 5.743 16.921 ( -5.435 2.651 -1.017) 6.132 18.285 ( -4.319 6.790 6.975) 10.649 18.935 ( 0.160 -5.485 -1.913) 5.812 22.691 ( -8.328 1.195 7.529) 11.290 24.145 ( 2.340 -1.659 -4.384) 5.239 29.164 ( 0.970 -4.688 0.116) 4.789 29.351 ( -0.941 3.582 3.255) 4.930 29.763 ( 0.086 -3.646 -2.744) 4.564 29.835 ( -1.935 0.678 0.589) 2.133 30.650 ( 3.032 8.011 0.718) 8.595 30.918 ( 0.310 4.935 0.068) 4.945 32.031 ( 1.490 0.337 5.809) 6.007 33.785 ( 1.325 -2.772 -9.912) 10.378 ======================= Grid point 142 (63/227) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -9.234 23.242 18.903) 31.349 2.364 ( 3.205 13.517 19.652) 24.067 3.457 ( 17.107 17.189 6.477) 25.101 3.554 ( -14.123 26.394 10.727) 31.799 4.081 ( 9.488 6.532 2.514) 11.790 4.854 ( 1.026 16.047 -4.225) 16.625 5.117 ( -11.727 25.458 -0.033) 28.029 5.572 ( -9.072 -8.454 0.739) 12.423 5.778 ( -2.068 6.659 -8.336) 10.868 6.162 ( 4.322 7.106 5.278) 9.850 6.974 ( -6.497 -0.796 -9.557) 11.584 7.506 ( -8.340 -4.430 -10.525) 14.140 7.585 ( 9.526 -6.529 0.673) 11.568 7.826 ( 1.791 -5.447 -0.635) 5.769 7.893 ( 6.168 -10.062 8.039) 14.280 8.691 ( 3.610 -9.638 5.208) 11.535 9.210 ( -0.903 0.361 1.699) 1.957 9.843 ( 0.148 -4.143 -1.040) 4.274 10.238 ( -3.943 1.059 -5.458) 6.816 10.460 ( 0.023 -9.647 -3.489) 10.259 10.738 ( 0.173 -0.045 4.011) 4.015 11.228 ( 3.192 8.139 -3.459) 9.402 12.694 ( -2.892 2.117 4.625) 5.851 14.644 ( 1.368 -1.791 -10.864) 11.095 15.544 ( 0.253 1.398 -0.711) 1.589 15.612 ( 1.326 -3.025 1.040) 3.463 15.767 ( 7.459 -5.953 3.241) 10.079 16.705 ( -3.151 3.665 -2.794) 5.583 16.760 ( -0.854 0.493 -3.034) 3.191 16.870 ( 2.288 2.752 -2.420) 4.321 18.198 ( -4.822 4.991 7.885) 10.504 18.982 ( 1.768 -2.160 -1.996) 3.432 22.647 ( -3.911 0.592 8.420) 9.303 24.167 ( 1.353 -1.856 -3.269) 3.995 29.240 ( 1.738 -1.235 1.402) 2.552 29.336 ( -1.726 -0.250 4.449) 4.779 29.799 ( -1.498 0.042 0.052) 1.500 29.833 ( 4.813 -2.692 0.247) 5.520 30.537 ( -3.148 9.152 -2.694) 10.046 30.827 ( -1.663 4.683 -2.103) 5.396 32.089 ( -1.945 -1.196 6.674) 7.054 33.795 ( 7.085 -1.001 -9.487) 11.883 ======================= Grid point 143 (64/227) ======================= q-point: (-0.20 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -15.345 16.620 27.322) 35.471 2.512 ( 18.059 21.156 18.926) 33.644 3.160 ( -6.515 24.527 18.408) 31.351 3.519 ( 8.995 17.372 12.355) 23.137 4.127 ( 4.019 10.288 7.275) 13.226 4.548 ( 6.782 24.245 -12.893) 28.286 4.792 ( -3.745 12.005 6.284) 14.058 5.275 ( -15.623 9.296 -17.224) 25.043 5.742 ( -1.431 -4.256 0.579) 4.528 6.180 ( 2.419 4.439 4.616) 6.846 6.823 ( -5.404 2.279 -4.565) 7.432 7.382 ( -7.697 -8.465 -11.976) 16.562 7.749 ( 1.659 -6.781 -7.886) 10.531 7.824 ( -0.571 2.118 0.838) 2.348 8.217 ( 4.176 -14.187 11.700) 18.858 8.909 ( 5.111 -7.314 5.967) 10.734 9.222 ( -0.238 -1.102 3.022) 3.226 9.891 ( 1.175 -4.205 -3.633) 5.680 10.131 ( -3.785 -1.852 -3.585) 5.532 10.556 ( 2.682 -6.503 -4.084) 8.134 10.798 ( 1.385 -3.203 4.451) 5.657 11.183 ( 3.327 3.388 -3.627) 5.975 12.651 ( -2.634 3.222 4.740) 6.307 14.592 ( 0.928 -0.980 -12.272) 12.346 15.509 ( -1.542 1.919 -0.325) 2.483 15.652 ( -0.342 -2.526 -0.988) 2.734 15.945 ( 1.510 -0.915 5.724) 5.990 16.602 ( -4.255 0.917 -3.484) 5.575 16.695 ( 2.701 1.345 -6.295) 6.981 16.892 ( 4.198 0.879 -0.373) 4.305 18.138 ( -3.888 3.104 7.438) 8.948 19.011 ( 3.305 1.304 -1.865) 4.013 22.682 ( -0.524 -0.453 10.174) 10.197 24.181 ( 0.208 -1.824 -2.379) 3.005 29.198 ( -4.635 5.161 1.577) 7.113 29.396 ( 1.360 -3.359 3.974) 5.378 29.789 ( 0.900 0.225 -0.521) 1.064 29.962 ( 6.041 -0.166 1.585) 6.248 30.340 ( -4.055 7.226 -1.815) 8.483 30.776 ( 1.036 -1.128 -2.203) 2.683 32.052 ( -10.762 0.509 5.496) 12.095 33.903 ( 14.126 -2.358 -9.345) 17.100 ======================= Grid point 144 (65/227) ======================= q-point: (-0.10 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -9.806 3.049 35.429) 36.887 2.378 ( -3.107 30.405 11.727) 32.736 3.156 ( 6.643 9.244 23.076) 25.731 3.527 ( 8.013 11.701 15.941) 21.336 4.051 ( 0.372 12.633 0.345) 12.643 4.400 ( 19.513 21.973 -10.395) 31.171 4.734 ( 1.714 6.823 12.471) 14.319 4.832 ( -5.933 10.607 -15.827) 19.955 5.773 ( -1.300 -4.107 -1.108) 4.448 6.163 ( -1.616 2.711 -1.156) 3.361 6.721 ( 1.428 8.171 5.912) 10.186 7.308 ( -8.403 -9.698 -9.428) 15.923 7.600 ( -5.211 2.954 -12.457) 13.822 7.860 ( 0.423 1.808 -1.125) 2.171 8.522 ( -5.603 -25.569 10.178) 28.085 9.072 ( 3.138 -1.294 4.689) 5.789 9.244 ( -0.671 -0.376 1.166) 1.397 9.904 ( 2.331 0.146 -5.144) 5.649 10.180 ( -0.988 -10.806 1.427) 10.944 10.623 ( 3.272 -0.062 -1.604) 3.645 10.927 ( 3.122 -7.799 2.889) 8.884 11.163 ( 0.085 -0.610 -6.787) 6.815 12.618 ( -1.226 3.029 5.140) 6.091 14.526 ( 2.669 1.540 -12.239) 12.621 15.452 ( -2.635 2.084 0.456) 3.391 15.642 ( -1.787 -0.064 -2.550) 3.115 15.904 ( -6.419 3.095 4.205) 8.274 16.432 ( -8.626 2.876 -1.919) 9.293 16.814 ( 9.904 -4.117 -6.091) 12.334 16.949 ( 5.834 0.866 -0.335) 5.907 18.123 ( -1.476 0.402 6.071) 6.260 19.017 ( 4.114 4.459 -2.139) 6.433 22.780 ( 0.469 -1.758 12.613) 12.744 24.181 ( -0.568 -1.229 -2.245) 2.622 29.055 ( -6.016 5.002 2.080) 8.096 29.492 ( 3.606 -2.293 2.668) 5.038 29.806 ( 2.424 0.991 -0.347) 2.642 29.934 ( -0.656 6.627 -4.168) 7.856 30.305 ( 2.718 3.073 5.957) 7.233 30.881 ( 6.615 -8.654 -1.176) 10.956 31.832 ( -18.423 3.285 1.272) 18.757 34.106 ( 13.977 -5.523 -9.167) 17.604 ======================= Grid point 149 (66/227) ======================= q-point: ( 0.40 -0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -19.637 0.000 -8.842) 21.535 2.990 ( -16.306 0.000 20.641) 26.305 3.694 ( 16.438 -0.000 -8.149) 18.347 4.123 ( 4.914 -0.000 -12.454) 13.389 4.578 ( 4.822 -0.000 5.550) 7.352 4.657 ( -10.130 0.000 14.871) 17.994 5.438 ( 20.957 -0.000 4.020) 21.339 5.670 ( -2.564 0.000 -1.401) 2.922 5.906 ( 12.468 -0.000 9.291) 15.549 6.173 ( 11.238 -0.000 -2.138) 11.439 6.843 ( -0.756 0.000 1.505) 1.684 7.199 ( 11.605 -0.000 1.680) 11.726 7.672 ( 2.430 -0.000 3.074) 3.919 7.702 ( -19.241 0.000 -18.251) 26.520 7.866 ( -3.746 0.000 -0.877) 3.848 8.401 ( -7.877 0.000 -5.780) 9.770 9.243 ( 1.095 -0.000 5.690) 5.794 9.735 ( 2.860 -0.000 0.654) 2.934 10.172 ( -2.682 0.000 -0.824) 2.806 10.456 ( -7.912 0.000 -1.851) 8.126 10.675 ( 1.971 -0.000 6.782) 7.063 11.425 ( 7.628 -0.000 4.248) 8.731 12.700 ( -2.608 0.000 4.238) 4.976 14.627 ( 5.082 -0.000 -6.597) 8.327 15.510 ( 2.979 -0.000 -2.804) 4.091 15.527 ( 0.954 -0.000 2.466) 2.644 15.649 ( -9.675 0.000 -10.741) 14.456 16.562 ( 8.372 -0.000 -2.643) 8.779 16.837 ( 7.942 -0.000 -1.156) 8.026 17.052 ( -4.790 0.000 3.124) 5.719 18.604 ( -4.221 0.000 5.116) 6.632 18.656 ( 0.580 -0.000 -1.953) 2.037 22.821 ( -12.429 0.000 8.164) 14.870 24.105 ( 3.567 -0.000 -6.242) 7.189 29.065 ( -0.108 0.000 -2.906) 2.908 29.539 ( -6.710 0.000 0.964) 6.779 29.660 ( -1.147 0.000 -1.852) 2.178 29.853 ( -0.990 0.000 0.421) 1.076 30.727 ( 7.429 -0.000 2.810) 7.943 30.923 ( 8.543 -0.000 4.408) 9.613 32.031 ( -1.294 0.000 5.498) 5.648 33.764 ( 0.274 -0.000 -12.006) 12.009 ======================= Grid point 151 (67/227) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -7.912 1.220 -4.143) 9.014 2.898 ( -15.676 9.601 27.366) 32.967 3.752 ( 12.144 9.640 -10.808) 18.900 4.137 ( 8.220 4.137 -3.110) 9.713 4.448 ( -8.519 14.028 10.594) 19.535 4.824 ( -3.172 -15.512 6.411) 17.082 5.525 ( 2.257 8.532 -0.865) 8.868 5.731 ( 3.431 -5.649 -3.995) 7.723 6.087 ( 7.140 8.084 4.122) 11.547 6.275 ( 6.991 5.877 -0.471) 9.146 6.904 ( 2.427 -6.621 2.659) 7.537 7.330 ( -8.781 -4.160 -5.130) 10.988 7.443 ( 10.848 0.588 -3.785) 11.504 7.699 ( -0.558 -0.945 -3.410) 3.583 7.760 ( -6.679 1.352 -1.976) 7.095 8.344 ( -1.878 -4.698 2.783) 5.774 9.259 ( -1.047 1.357 1.963) 2.606 9.769 ( 1.413 -0.293 -0.586) 1.557 10.158 ( -1.202 -3.840 -1.665) 4.354 10.345 ( -4.590 -0.795 -3.227) 5.667 10.730 ( -0.684 0.111 5.285) 5.331 11.500 ( 2.681 4.283 0.347) 5.065 12.700 ( -2.293 -0.716 5.000) 5.547 14.641 ( 3.553 -0.090 -7.748) 8.524 15.477 ( -0.486 -1.046 -1.919) 2.239 15.552 ( 0.441 -0.439 0.980) 1.160 15.584 ( 1.667 -1.048 -1.670) 2.582 16.659 ( 7.856 -0.317 -3.986) 8.815 16.916 ( 5.238 1.217 -2.741) 6.035 16.974 ( -6.848 1.403 0.870) 7.044 18.485 ( -3.444 8.975 4.026) 10.422 18.745 ( -0.251 -9.046 -0.222) 9.052 22.713 ( -8.814 0.468 7.022) 11.279 24.118 ( 3.400 -0.565 -5.735) 6.691 29.073 ( 1.072 -2.116 0.460) 2.416 29.450 ( -2.838 3.652 1.901) 5.000 29.666 ( -0.319 -3.594 -1.304) 3.836 29.842 ( -0.817 0.045 -0.073) 0.821 30.803 ( 3.521 3.589 0.666) 5.072 31.009 ( 2.089 2.093 0.193) 2.963 32.041 ( -2.089 0.323 6.782) 7.104 33.725 ( 3.358 -1.583 -9.409) 10.115 ======================= Grid point 152 (68/227) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 15.962 6.560 11.374) 20.669 2.653 ( -18.349 17.297 23.269) 34.312 3.758 ( 10.981 6.729 -4.793) 13.742 4.137 ( -11.187 20.206 10.831) 25.509 4.230 ( 8.916 6.286 3.885) 11.580 4.958 ( -3.914 -8.594 1.955) 9.644 5.445 ( -2.123 2.948 -0.790) 3.718 5.675 ( -3.442 10.534 -11.817) 16.200 5.918 ( -10.395 8.809 -2.424) 13.839 6.282 ( 2.655 3.250 1.018) 4.318 6.949 ( -5.833 -2.814 -4.088) 7.658 7.364 ( 3.153 -7.598 -3.316) 8.869 7.519 ( -0.825 2.575 -4.904) 5.600 7.694 ( 8.763 -2.480 2.595) 9.470 7.753 ( 2.169 -4.095 3.713) 5.938 8.481 ( 5.122 -6.438 7.086) 10.858 9.221 ( -3.180 0.291 -0.444) 3.224 9.777 ( -0.628 -1.420 -1.421) 2.105 10.195 ( 0.073 -5.424 -4.338) 6.945 10.291 ( -1.711 -2.065 -3.991) 4.809 10.739 ( -1.899 -0.066 4.322) 4.721 11.417 ( -1.618 6.483 -3.590) 7.586 12.713 ( -2.404 -0.332 5.237) 5.772 14.619 ( 1.864 -0.292 -9.666) 9.849 15.538 ( 0.350 -0.783 1.476) 1.707 15.582 ( 2.909 -0.448 1.749) 3.424 15.643 ( 6.209 -3.646 3.296) 7.919 16.741 ( 6.509 -0.219 -4.433) 7.878 16.816 ( -8.848 3.445 -2.021) 9.708 16.927 ( 1.205 1.590 -3.730) 4.230 18.361 ( -3.529 7.974 4.899) 10.002 18.852 ( 1.128 -7.782 -0.587) 7.885 22.660 ( -4.168 0.450 6.788) 7.978 24.135 ( 2.917 -0.847 -5.025) 5.872 29.157 ( 3.178 -3.480 4.181) 6.301 29.391 ( -1.744 3.413 2.180) 4.409 29.722 ( 2.259 -4.368 -0.464) 4.939 29.825 ( -0.573 0.276 -0.416) 0.760 30.742 ( -2.401 6.723 -1.914) 7.391 30.942 ( -3.301 4.059 -3.786) 6.458 32.068 ( -2.146 -0.519 7.771) 8.078 33.759 ( 6.679 -1.554 -7.323) 10.032 ======================= Grid point 153 (69/227) ======================= q-point: (-0.30 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -17.755 23.208 19.340) 35.041 2.863 ( 24.721 8.298 16.992) 31.124 3.695 ( -12.795 15.761 9.837) 22.559 3.888 ( 7.892 13.805 6.971) 17.363 4.337 ( 6.783 7.768 10.282) 14.563 4.930 ( -3.440 2.422 -5.212) 6.698 5.229 ( -9.598 21.971 -8.928) 25.584 5.340 ( -10.138 0.244 -6.261) 11.918 5.703 ( -5.760 0.001 -6.887) 8.978 6.281 ( 0.108 2.143 1.822) 2.815 6.860 ( -3.491 0.898 -0.571) 3.649 7.264 ( -7.666 -1.003 -8.883) 11.777 7.553 ( 1.645 -7.012 -6.820) 9.919 7.840 ( 2.344 -1.271 0.930) 2.824 8.003 ( 10.701 -4.292 12.888) 17.293 8.724 ( 9.849 -6.823 4.927) 12.955 9.176 ( -3.606 -2.718 1.259) 4.688 9.775 ( -1.726 -3.679 -1.871) 4.474 10.157 ( -1.578 1.677 -7.997) 8.321 10.336 ( 1.942 -8.426 -2.529) 9.009 10.760 ( -0.432 -1.437 4.075) 4.343 11.290 ( -1.626 4.710 -4.166) 6.495 12.706 ( -2.699 1.277 5.250) 6.040 14.575 ( 1.928 -0.155 -10.251) 10.432 15.524 ( -2.377 -0.425 -0.440) 2.455 15.611 ( 0.101 -0.651 0.586) 0.882 15.895 ( 10.160 -2.772 9.321) 14.063 16.627 ( -7.443 1.833 -4.462) 8.869 16.752 ( 0.440 2.320 -6.523) 6.937 16.906 ( 2.327 0.120 -2.041) 3.097 18.259 ( -3.145 6.568 5.354) 9.039 18.957 ( 2.546 -5.444 -0.780) 6.061 22.675 ( -0.500 -0.097 7.058) 7.077 24.150 ( 2.312 -0.853 -4.324) 4.977 29.294 ( 4.008 -3.459 5.613) 7.716 29.325 ( -3.666 4.340 2.227) 6.102 29.779 ( 0.327 -1.163 -1.858) 2.216 29.889 ( 6.671 -4.644 2.615) 8.538 30.557 ( -6.180 8.991 -2.852) 11.276 30.801 ( -4.417 2.631 -5.279) 7.369 32.069 ( -6.111 0.766 7.253) 9.515 33.853 ( 10.241 -1.824 -6.995) 12.535 ======================= Grid point 154 (70/227) ======================= q-point: (-0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -16.097 16.584 23.493) 32.955 3.062 ( 3.932 21.477 8.822) 23.549 3.438 ( -5.429 12.662 15.139) 20.469 3.825 ( -2.384 13.597 12.290) 18.482 4.320 ( -1.304 9.422 1.772) 9.676 4.790 ( 2.716 5.167 -8.454) 10.273 4.983 ( 4.735 12.518 6.604) 14.925 5.024 ( -8.151 8.005 -16.662) 20.203 5.670 ( 0.382 -3.947 -2.692) 4.793 6.252 ( -1.630 2.688 1.257) 3.385 6.846 ( 1.327 1.957 6.575) 6.988 7.132 ( -5.700 -3.029 -7.058) 9.565 7.580 ( -2.154 -5.079 -10.483) 11.846 7.873 ( 1.023 -2.211 1.974) 3.135 8.159 ( -3.870 -1.562 4.846) 6.395 8.961 ( 7.275 -5.766 2.356) 9.577 9.236 ( 1.608 -2.921 5.317) 6.276 9.822 ( 1.510 -7.768 -1.520) 8.058 10.054 ( -1.118 2.324 -5.531) 6.102 10.481 ( 4.722 -9.390 -2.712) 10.855 10.814 ( 0.260 -2.798 3.822) 4.744 11.196 ( -0.964 3.013 -4.398) 5.417 12.685 ( -2.301 2.268 5.494) 6.373 14.540 ( 3.294 0.170 -10.051) 10.579 15.479 ( -3.336 0.160 -0.622) 3.398 15.619 ( -0.988 -1.143 0.546) 1.607 15.996 ( -3.201 4.041 3.822) 6.418 16.500 ( -6.937 1.618 -3.979) 8.159 16.716 ( 6.426 -2.615 -4.322) 8.173 16.952 ( 4.219 -0.655 -1.622) 4.567 18.188 ( -2.307 4.646 5.414) 7.499 19.043 ( 3.280 -2.411 -0.985) 4.188 22.742 ( 0.834 -1.218 7.939) 8.075 24.160 ( 1.766 -0.576 -3.793) 4.224 29.199 ( -6.865 5.697 2.321) 9.218 29.427 ( 4.521 -2.140 4.120) 6.480 29.790 ( 1.495 -1.510 -2.267) 3.107 30.054 ( 3.095 0.261 0.454) 3.139 30.394 ( 1.606 4.861 3.888) 6.429 30.707 ( -2.415 -3.371 -5.474) 6.867 31.945 ( -12.521 4.803 4.572) 14.169 33.999 ( 11.865 -3.369 -7.463) 14.417 ======================= Grid point 155 (71/227) ======================= q-point: (-0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -10.518 2.757 33.374) 35.100 2.657 ( -13.052 25.252 2.720) 28.555 3.319 ( -9.179 4.713 11.900) 15.750 3.861 ( 6.486 7.763 13.343) 16.744 4.034 ( -11.122 8.899 -15.784) 21.261 4.761 ( 6.066 5.293 -2.098) 8.320 4.853 ( 6.120 3.447 -4.340) 8.257 5.050 ( 12.633 12.708 10.333) 20.684 5.724 ( 3.322 -2.926 -2.935) 5.311 6.184 ( -2.622 4.437 0.909) 5.233 6.939 ( 6.196 4.446 12.970) 15.046 7.053 ( -5.786 -4.130 -5.863) 9.214 7.479 ( -1.463 -0.153 -11.098) 11.195 7.905 ( 0.058 7.198 -2.329) 7.565 8.129 ( -13.165 -19.755 2.510) 23.872 9.120 ( 3.424 -4.266 2.148) 5.877 9.259 ( -1.082 3.402 0.045) 3.570 9.932 ( 4.403 1.139 -3.153) 5.534 10.051 ( -0.298 -9.404 1.946) 9.608 10.636 ( 5.377 -5.029 -2.659) 7.828 10.897 ( -0.075 -6.021 3.477) 6.953 11.108 ( -1.091 3.158 -5.857) 6.743 12.667 ( -1.713 2.129 5.499) 6.140 14.523 ( 4.948 1.039 -9.844) 11.067 15.420 ( -3.536 0.394 -0.094) 3.559 15.611 ( -1.320 0.305 -0.431) 1.421 15.862 ( -6.872 3.039 -0.265) 7.518 16.338 ( -6.415 1.946 -1.506) 6.871 16.857 ( 6.068 -2.380 -1.829) 6.770 17.023 ( 5.849 -1.756 -2.182) 6.485 18.158 ( -1.299 1.883 5.197) 5.678 19.092 ( 3.116 0.950 -1.536) 3.601 22.837 ( -0.165 -2.766 9.861) 10.243 24.161 ( 1.482 -0.009 -3.573) 3.869 29.048 ( -5.733 4.907 2.412) 7.922 29.546 ( 5.341 -2.030 2.369) 6.186 29.820 ( 1.305 -1.874 -2.212) 3.179 29.946 ( -4.844 6.096 -1.961) 8.029 30.489 ( 6.217 5.593 5.816) 10.186 30.814 ( 6.884 -14.624 -0.977) 16.193 31.648 ( -17.421 9.629 -0.247) 19.907 34.154 ( 9.325 -4.132 -7.660) 12.756 ======================= Grid point 161 (72/227) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 14.693 -0.000 12.518) 19.303 2.932 ( -14.035 -0.000 25.787) 29.359 3.820 ( 4.175 -0.000 -15.281) 15.841 4.310 ( 9.839 -0.000 6.819) 11.971 4.531 ( -9.995 0.000 9.559) 13.831 4.672 ( -2.626 -0.000 3.706) 4.542 5.577 ( -0.194 -0.000 -5.027) 5.031 5.665 ( -0.775 0.000 -5.373) 5.428 6.090 ( -12.478 -0.000 -7.413) 14.514 6.369 ( -2.298 -0.000 -1.729) 2.876 6.861 ( -1.601 0.000 2.879) 3.294 7.262 ( 3.376 -0.000 -1.718) 3.788 7.615 ( -3.366 0.000 -7.997) 8.677 7.620 ( 11.421 -0.000 0.066) 11.421 7.712 ( 2.756 -0.000 4.792) 5.529 8.400 ( 5.759 -0.000 9.221) 10.872 9.223 ( -4.633 -0.000 -1.808) 4.973 9.762 ( -0.939 0.000 -2.125) 2.323 10.111 ( -0.001 -0.000 -2.429) 2.429 10.273 ( 0.221 0.000 -5.428) 5.432 10.738 ( -3.297 -0.000 4.977) 5.970 11.505 ( -3.846 -0.000 -3.491) 5.194 12.703 ( -1.823 -0.000 5.658) 5.944 14.618 ( 2.239 -0.000 -9.515) 9.775 15.543 ( -1.563 -0.000 0.786) 1.749 15.550 ( 8.087 0.000 6.569) 10.419 15.607 ( 3.005 -0.000 0.042) 3.005 16.737 ( 7.067 -0.000 -4.710) 8.492 16.865 ( -8.846 -0.000 -2.133) 9.099 16.946 ( 0.941 -0.000 -4.091) 4.198 18.528 ( -3.750 0.000 2.316) 4.408 18.683 ( 1.599 -0.000 1.287) 2.052 22.666 ( -4.254 -0.000 6.223) 7.538 24.124 ( 3.335 -0.000 -5.415) 6.359 29.111 ( 3.308 -0.000 4.585) 5.654 29.453 ( -1.175 0.000 1.395) 1.823 29.647 ( 1.360 -0.000 0.120) 1.365 29.829 ( -0.699 -0.000 -1.156) 1.351 30.830 ( -2.326 -0.000 -1.825) 2.956 30.997 ( -3.554 -0.000 -4.011) 5.359 32.062 ( -2.246 -0.000 8.200) 8.502 33.737 ( 6.884 -0.000 -6.601) 9.537 ======================= Grid point 163 (73/227) ======================= q-point: (-0.40 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -15.353 10.065 20.776) 27.725 3.035 ( 25.133 8.011 18.389) 32.156 3.759 ( -2.852 -5.478 -10.262) 11.977 4.301 ( -7.072 16.545 5.856) 18.922 4.513 ( 9.791 4.583 14.101) 17.768 4.752 ( -5.786 -12.013 0.707) 13.353 5.467 ( -2.662 7.784 -4.239) 9.254 5.602 ( -4.101 2.382 -12.968) 13.808 5.687 ( -22.131 2.093 -7.445) 23.444 6.289 ( -4.831 -0.127 -1.081) 4.952 6.860 ( -2.727 -0.780 2.421) 3.729 7.243 ( -4.714 -1.556 -4.573) 6.750 7.496 ( -1.541 1.473 -7.638) 7.930 7.772 ( 5.540 -2.775 -0.463) 6.214 7.971 ( 18.837 0.455 14.006) 23.478 8.600 ( 9.698 -2.943 7.991) 12.906 9.117 ( -7.327 -1.494 -3.808) 8.392 9.721 ( -2.486 -0.980 -2.868) 3.920 10.117 ( 1.073 -3.095 -4.462) 5.536 10.258 ( 3.439 0.509 -6.672) 7.524 10.725 ( -3.604 -1.003 5.759) 6.868 11.382 ( -5.333 2.193 -4.118) 7.086 12.721 ( -1.774 0.123 5.996) 6.254 14.580 ( 2.514 0.278 -10.001) 10.316 15.515 ( -2.556 -0.113 0.043) 2.559 15.604 ( -0.278 -0.112 0.713) 0.774 15.834 ( 14.388 -1.617 11.378) 18.414 16.675 ( -11.202 1.422 -4.884) 12.302 16.796 ( 5.233 1.146 -6.103) 8.120 16.898 ( -2.178 -0.478 -3.883) 4.478 18.441 ( -2.088 7.182 1.947) 7.728 18.780 ( 1.944 -7.372 1.428) 7.757 22.675 ( -0.447 0.027 5.385) 5.403 24.136 ( 3.004 -0.295 -4.807) 5.676 29.218 ( 2.711 -1.802 7.035) 7.751 29.444 ( 2.085 4.128 1.665) 4.916 29.704 ( 2.090 -4.092 -0.084) 4.595 29.813 ( 0.520 -1.016 -1.364) 1.779 30.723 ( -6.243 3.728 -2.533) 7.700 30.865 ( -7.019 1.812 -5.718) 9.233 32.085 ( -3.208 0.370 8.063) 8.685 33.817 ( 8.860 -0.865 -5.460) 10.443 ======================= Grid point 164 (74/227) ======================= q-point: (-0.30 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -18.848 20.655 18.161) 33.342 3.374 ( 13.095 6.359 4.166) 15.142 3.674 ( -8.741 2.875 5.533) 10.737 4.126 ( -1.974 9.309 7.077) 11.860 4.600 ( -2.870 14.572 10.770) 18.346 4.704 ( -10.624 -8.276 -7.668) 15.497 5.219 ( -8.906 8.121 0.538) 12.065 5.271 ( -2.063 7.036 -12.096) 14.144 5.588 ( -0.161 -2.784 -4.659) 5.430 6.231 ( -5.986 -3.547 0.655) 6.988 6.859 ( 0.006 0.198 5.004) 5.008 7.141 ( -4.709 1.059 -3.159) 5.769 7.444 ( 0.192 -3.165 -7.455) 8.102 7.821 ( -1.061 -1.544 -2.362) 3.014 8.275 ( 11.548 7.297 10.072) 16.972 8.838 ( 9.505 -4.178 -2.318) 10.638 9.074 ( -1.457 -8.403 6.446) 10.691 9.687 ( -1.907 -2.810 -2.620) 4.289 10.116 ( 1.291 0.202 -7.371) 7.486 10.293 ( 5.271 -3.722 -3.819) 7.498 10.748 ( -2.018 -2.240 5.855) 6.585 11.271 ( -2.371 2.420 -2.197) 4.038 12.727 ( -2.229 1.162 6.011) 6.516 14.546 ( 3.247 0.331 -9.899) 10.423 15.473 ( -3.191 -0.305 -0.536) 3.250 15.601 ( -1.536 -0.423 1.614) 2.268 16.086 ( 5.533 2.919 6.879) 9.298 16.480 ( -6.659 -2.272 -6.224) 9.393 16.730 ( -1.596 3.065 -4.168) 5.414 16.914 ( 3.428 -2.434 -3.243) 5.309 18.340 ( -1.531 7.336 2.556) 7.918 18.914 ( 2.496 -7.308 0.783) 7.763 22.721 ( 1.191 -0.469 4.658) 4.830 24.149 ( 2.613 -0.310 -4.113) 4.883 29.273 ( -4.359 0.032 4.326) 6.141 29.459 ( 6.285 5.236 3.640) 8.954 29.738 ( 0.036 -2.675 -4.249) 5.021 29.933 ( 6.211 -7.450 2.628) 10.049 30.553 ( -4.958 6.439 -0.054) 8.127 30.699 ( -6.838 1.195 -4.811) 8.446 32.045 ( -7.342 3.098 6.544) 10.312 33.933 ( 10.067 -1.983 -6.261) 12.020 ======================= Grid point 165 (75/227) ======================= q-point: (-0.20 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -15.929 16.284 22.753) 32.196 3.216 ( -15.821 13.566 -1.495) 20.895 3.474 ( -15.492 9.497 0.889) 18.192 4.035 ( 0.950 7.044 8.672) 11.213 4.290 ( -14.922 10.833 -4.566) 18.996 4.711 ( 2.177 -5.589 -2.253) 6.407 4.986 ( -2.607 7.254 -6.789) 10.272 5.269 ( 5.977 3.663 5.597) 8.971 5.640 ( 3.745 -4.010 -1.711) 5.747 6.201 ( -6.049 -3.354 3.000) 7.539 6.961 ( 4.241 -1.494 11.614) 12.454 7.044 ( -1.602 2.525 -3.931) 4.939 7.438 ( -0.173 -3.697 -9.046) 9.774 7.776 ( -5.921 -4.377 -2.005) 7.631 8.239 ( 1.444 15.038 -1.425) 15.174 8.955 ( 1.954 -7.573 -0.077) 7.822 9.295 ( 4.901 -2.376 5.927) 8.049 9.745 ( 3.702 -8.746 0.221) 9.499 10.070 ( 2.353 3.430 -4.716) 6.288 10.443 ( 7.689 -8.289 -3.565) 11.855 10.792 ( -1.461 -2.457 5.446) 6.151 11.209 ( -0.050 3.843 -1.219) 4.032 12.715 ( -2.679 1.708 5.954) 6.749 14.530 ( 4.194 -0.202 -9.462) 10.352 15.422 ( -3.429 -0.105 -0.668) 3.495 15.597 ( -1.761 -0.824 2.152) 2.900 15.970 ( -8.177 5.469 -4.919) 10.998 16.392 ( -5.936 1.240 -4.217) 7.386 16.776 ( 7.645 -3.170 2.737) 8.717 16.971 ( 3.666 -2.387 -3.610) 5.671 18.257 ( -1.539 5.872 3.471) 6.992 19.033 ( 2.384 -5.351 -0.063) 5.859 22.782 ( 0.548 -1.614 4.838) 5.129 24.161 ( 2.297 -0.038 -3.409) 4.111 29.170 ( -7.091 4.433 2.155) 8.636 29.538 ( 6.232 1.904 3.240) 7.278 29.752 ( 0.934 -3.697 -4.912) 6.218 30.047 ( -3.098 -0.380 -0.675) 3.194 30.545 ( 4.182 -4.361 3.316) 6.892 30.588 ( 0.332 1.919 0.862) 2.130 31.870 ( -12.369 7.910 3.739) 15.151 34.065 ( 9.873 -3.088 -7.435) 12.739 ======================= Grid point 166 (76/227) ======================= q-point: (-0.10 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -11.795 4.280 33.622) 35.887 2.671 ( -19.471 17.240 -2.482) 26.125 3.212 ( -13.116 -0.057 -1.900) 13.253 3.819 ( -13.186 7.607 -16.626) 22.543 4.119 ( 3.368 5.852 12.056) 13.817 4.769 ( -0.647 -3.619 -2.649) 4.532 4.945 ( 3.732 -1.027 0.468) 3.899 5.333 ( 1.199 2.385 6.389) 6.924 5.744 ( 5.415 -3.612 -2.485) 6.967 6.170 ( -4.973 -0.144 4.807) 6.918 6.935 ( -5.108 1.307 -3.140) 6.137 7.169 ( 5.955 1.173 12.081) 13.520 7.401 ( 2.766 -2.195 -9.764) 10.383 7.773 ( -7.323 -12.219 1.142) 14.291 8.035 ( 2.660 16.774 -4.379) 17.539 9.081 ( 1.018 -8.158 0.529) 8.238 9.292 ( -1.453 5.590 -1.641) 6.005 9.953 ( 4.270 -8.784 2.559) 10.097 10.042 ( 2.908 4.571 -0.544) 5.444 10.628 ( 7.033 -7.317 -5.405) 11.498 10.850 ( -0.335 -2.456 4.926) 5.515 11.136 ( 0.048 6.093 -2.410) 6.553 12.696 ( -2.927 1.386 5.729) 6.581 14.536 ( 5.025 -0.355 -9.064) 10.370 15.372 ( -2.665 -0.044 -0.420) 2.698 15.599 ( -0.898 -0.340 1.472) 1.758 15.773 ( -5.766 1.343 -5.212) 7.887 16.269 ( -3.757 1.012 -1.743) 4.264 16.910 ( 2.998 -0.028 1.376) 3.299 17.049 ( 5.260 -3.856 -2.996) 7.177 18.204 ( -1.784 3.432 4.481) 5.920 19.106 ( 1.548 -2.459 -1.225) 3.154 22.845 ( -1.577 -3.296 6.458) 7.420 24.168 ( 2.087 0.511 -2.743) 3.484 29.034 ( -5.456 3.592 1.963) 6.821 29.638 ( 6.567 -0.064 1.852) 6.823 29.763 ( -1.256 -2.502 -4.999) 5.730 29.932 ( -4.910 3.639 0.885) 6.176 30.516 ( -3.605 -4.385 -4.886) 7.490 30.889 ( 15.826 -6.393 10.098) 19.832 31.545 ( -15.445 13.080 -0.282) 20.242 34.177 ( 7.387 -2.808 -7.841) 11.132 ======================= Grid point 173 (77/227) ======================= q-point: (-0.40 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -18.676 0.000 22.402) 29.166 3.481 ( -11.523 0.000 -16.734) 20.318 3.598 ( 22.974 -0.000 15.037) 27.457 4.297 ( -11.087 0.000 -6.750) 12.980 4.539 ( -7.858 0.000 6.304) 10.074 4.851 ( 7.771 -0.000 20.228) 21.670 5.267 ( -23.095 0.000 -7.490) 24.280 5.409 ( -8.014 0.000 -11.045) 13.647 5.533 ( 2.620 -0.000 -5.479) 6.073 6.170 ( -8.327 0.000 0.160) 8.328 6.868 ( 1.078 -0.000 4.188) 4.325 7.133 ( -5.047 0.000 -3.018) 5.880 7.430 ( -1.497 0.000 -5.747) 5.939 7.799 ( 1.266 -0.000 -3.102) 3.350 8.401 ( 22.469 -0.000 14.704) 26.852 8.760 ( 8.973 -0.000 -1.193) 9.052 8.956 ( -7.781 0.000 0.159) 7.782 9.656 ( -2.307 0.000 -2.617) 3.489 10.088 ( 2.062 -0.000 -5.048) 5.453 10.276 ( 5.611 -0.000 -9.357) 10.910 10.719 ( -2.900 0.000 9.785) 10.206 11.301 ( -3.471 0.000 -1.729) 3.878 12.741 ( -1.916 0.000 6.236) 6.524 14.551 ( 3.072 -0.000 -10.231) 10.683 15.470 ( -3.156 0.000 -0.392) 3.180 15.596 ( -1.714 0.000 1.717) 2.426 16.124 ( 13.252 -0.000 10.608) 16.975 16.445 ( -13.351 0.000 -9.803) 16.564 16.801 ( -4.897 0.000 -2.301) 5.411 16.854 ( 5.690 -0.000 -5.343) 7.805 18.473 ( -0.895 0.000 -0.911) 1.277 18.778 ( 2.138 -0.000 3.600) 4.187 22.716 ( 1.329 -0.000 3.539) 3.780 24.145 ( 2.822 -0.000 -4.098) 4.975 29.265 ( -1.205 0.000 5.906) 6.028 29.586 ( 8.773 -0.000 3.483) 9.439 29.666 ( -1.614 0.000 -3.612) 3.956 29.815 ( 2.797 -0.000 -0.402) 2.826 30.641 ( -5.373 0.000 -0.415) 5.389 30.718 ( -8.900 0.000 -4.020) 9.766 32.085 ( -5.167 0.000 7.055) 8.744 33.907 ( 9.337 -0.000 -5.709) 10.944 ======================= Grid point 174 (78/227) ======================= q-point: (-0.30 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -20.203 15.346 20.769) 32.788 3.214 ( -16.047 -7.307 -11.430) 21.013 3.782 ( -4.250 12.453 -5.311) 14.190 4.075 ( -9.168 -7.242 -6.402) 13.323 4.477 ( -7.261 4.419 11.486) 14.289 4.802 ( -6.360 14.293 4.869) 16.384 5.151 ( -9.313 3.153 -12.424) 15.844 5.178 ( -5.773 -9.595 9.936) 14.970 5.558 ( 3.930 -1.821 -4.352) 6.140 6.088 ( -7.869 -3.770 4.507) 9.820 6.952 ( 6.069 1.205 6.014) 8.628 7.068 ( -2.319 -1.465 -1.619) 3.185 7.364 ( -2.294 -1.000 -6.733) 7.183 7.757 ( -2.971 0.496 -4.131) 5.112 8.631 ( 9.641 14.223 -3.331) 17.503 8.811 ( 3.561 -2.409 1.570) 4.577 9.110 ( 10.731 -11.116 9.721) 18.254 9.626 ( -0.704 -1.639 -1.059) 2.074 10.096 ( 2.926 -0.746 -5.132) 5.954 10.303 ( 6.001 -2.650 -8.656) 10.861 10.780 ( -0.055 0.748 12.928) 12.950 11.265 ( -0.310 0.791 0.141) 0.861 12.746 ( -2.970 0.694 6.068) 6.792 14.523 ( 3.136 -0.186 -10.256) 10.727 15.420 ( -3.136 -0.038 -0.596) 3.192 15.584 ( -2.128 -0.239 2.780) 3.509 16.116 ( -10.711 5.652 -10.163) 15.810 16.345 ( 0.286 -4.327 -1.119) 4.478 16.757 ( 2.455 1.230 4.238) 5.050 16.909 ( 4.150 -2.244 -4.794) 6.726 18.415 ( -0.851 5.479 -0.494) 5.566 18.875 ( 1.891 -5.689 2.982) 6.696 22.757 ( 0.937 -0.473 2.052) 2.305 24.160 ( 2.571 -0.031 -3.054) 3.992 29.258 ( -3.489 2.489 3.893) 5.790 29.593 ( -0.390 -0.442 -4.375) 4.414 29.698 ( 4.258 2.415 -0.698) 4.945 29.922 ( 3.163 -6.795 0.622) 7.521 30.554 ( -7.177 2.169 0.444) 7.510 30.616 ( 0.723 0.289 3.602) 3.685 32.014 ( -8.421 3.311 5.781) 10.738 34.007 ( 9.545 -1.366 -7.596) 12.274 ======================= Grid point 175 (79/227) ======================= q-point: (-0.20 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -17.252 14.118 24.155) 32.869 2.955 ( -22.253 -1.766 -7.671) 23.604 3.315 ( -18.295 12.675 -7.757) 23.569 3.917 ( -12.858 -0.834 -14.663) 19.520 4.349 ( -6.029 12.256 10.749) 17.381 4.714 ( -0.302 1.436 2.324) 2.748 4.925 ( -5.160 -0.893 -6.494) 8.343 5.234 ( -12.859 -10.023 7.940) 18.134 5.636 ( 5.024 -3.910 -2.957) 7.020 6.091 ( -5.609 -5.066 7.804) 10.864 6.990 ( -4.173 2.575 -2.628) 5.563 7.123 ( 6.141 -2.473 3.897) 7.682 7.338 ( 1.391 -4.857 -3.719) 6.273 7.653 ( -3.912 1.832 -3.228) 5.392 8.528 ( 11.160 19.631 -6.379) 23.466 8.895 ( 0.409 -3.842 3.824) 5.436 9.370 ( 2.909 -0.373 2.060) 3.584 9.732 ( 7.193 -8.576 2.825) 11.544 10.116 ( 3.889 0.841 -2.585) 4.745 10.411 ( 6.758 -8.799 -8.350) 13.885 10.871 ( 3.240 3.945 13.342) 14.285 11.255 ( 0.642 2.619 0.383) 2.724 12.725 ( -4.122 0.927 5.846) 7.213 14.508 ( 3.386 -1.495 -9.629) 10.316 15.372 ( -2.571 0.063 -0.605) 2.642 15.581 ( -1.714 -0.483 3.001) 3.490 15.828 ( -8.943 2.425 -11.452) 14.731 16.299 ( -4.028 0.580 -3.952) 5.673 16.889 ( 5.797 -1.279 6.848) 9.063 16.956 ( 3.465 -2.979 -5.447) 7.110 18.327 ( -1.623 5.862 1.333) 6.227 18.990 ( 1.208 -6.062 1.317) 6.320 22.784 ( -0.880 -1.655 1.953) 2.707 24.178 ( 2.321 0.249 -1.690) 2.882 29.149 ( -5.616 5.955 1.306) 8.289 29.616 ( 1.507 -6.235 -4.231) 7.685 29.707 ( 2.567 2.188 -1.142) 3.561 29.971 ( -3.519 -1.440 -1.118) 3.963 30.442 ( -6.644 -0.125 0.833) 6.697 30.777 ( 11.411 -3.348 8.357) 14.535 31.831 ( -10.975 9.362 4.480) 15.105 34.108 ( 9.077 -2.572 -9.635) 13.485 ======================= Grid point 176 (80/227) ======================= q-point: (-0.10 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -16.068 4.152 34.404) 38.198 2.475 ( -24.135 5.705 -4.090) 25.135 2.995 ( -9.071 2.895 -9.576) 13.504 3.572 ( -12.245 1.542 -18.064) 21.877 4.238 ( -5.241 2.230 6.836) 8.898 4.647 ( -6.114 -3.568 -6.402) 9.544 4.951 ( -0.114 -4.188 5.933) 7.263 5.203 ( -15.788 -12.079 7.622) 21.290 5.736 ( 3.830 -4.351 -2.705) 6.397 6.142 ( -2.434 -2.531 8.191) 8.912 6.808 ( -9.313 0.025 -8.666) 12.721 7.296 ( 3.456 -6.193 8.397) 10.992 7.374 ( 4.280 4.522 -5.506) 8.312 7.670 ( 4.660 -5.844 3.633) 8.311 8.366 ( 10.235 25.632 -5.369) 28.117 8.986 ( -0.181 -7.740 -0.079) 7.742 9.320 ( -2.219 5.362 -2.176) 6.198 9.948 ( 4.289 -5.724 3.476) 7.953 10.148 ( 4.137 3.231 0.626) 5.286 10.556 ( 4.268 -9.809 -7.954) 13.330 10.954 ( 4.683 5.861 6.913) 10.201 11.205 ( 0.460 6.596 -0.827) 6.663 12.693 ( -4.600 0.337 5.617) 7.269 14.524 ( 4.209 -2.412 -8.639) 9.908 15.340 ( -0.938 -0.118 -0.540) 1.089 15.587 ( -0.717 -2.029 0.267) 2.169 15.670 ( -2.278 -0.333 -5.402) 5.872 16.230 ( -0.732 -0.015 -1.389) 1.570 16.944 ( 0.296 0.300 -1.115) 1.192 17.056 ( 4.176 -3.687 -0.688) 5.613 18.250 ( -2.616 4.314 3.663) 6.235 19.066 ( 0.038 -4.290 -0.682) 4.344 22.804 ( -3.223 -3.402 3.587) 5.901 24.196 ( 1.986 0.932 -0.118) 2.197 29.012 ( -4.562 3.735 0.955) 5.972 29.668 ( -1.562 -3.367 -4.740) 6.020 29.737 ( 4.590 -1.410 0.843) 4.875 29.894 ( -3.689 1.482 -0.629) 4.025 30.370 ( -5.442 -2.360 -0.665) 5.969 31.076 ( 10.483 -7.959 3.981) 13.751 31.543 ( -9.210 16.304 4.938) 19.366 34.186 ( 6.811 -2.305 -10.625) 12.829 ======================= Grid point 184 (81/227) ======================= q-point: (-0.30 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -24.219 0.000 26.766) 36.097 2.809 ( -15.216 0.000 -16.617) 22.531 3.569 ( -20.896 0.000 -12.598) 24.400 3.834 ( -8.011 0.000 -12.675) 14.994 4.626 ( 0.125 -0.000 22.181) 22.181 4.736 ( -13.469 0.000 -9.680) 16.587 4.945 ( -11.004 0.000 -9.303) 14.409 4.976 ( -17.988 0.000 12.649) 21.990 5.588 ( 5.111 -0.000 -3.504) 6.197 6.008 ( -5.980 0.000 9.299) 11.056 7.031 ( 1.650 -0.000 -0.941) 1.899 7.095 ( -0.464 0.000 -4.256) 4.281 7.250 ( 0.660 -0.000 0.191) 0.687 7.702 ( -1.310 0.000 -3.537) 3.772 8.685 ( 5.057 -0.000 -7.143) 8.752 9.162 ( 8.135 -0.000 3.065) 8.693 9.163 ( 16.187 -0.000 6.186) 17.329 9.613 ( 0.723 -0.000 1.893) 2.026 10.118 ( 4.536 -0.000 -2.811) 5.337 10.285 ( 3.885 -0.000 -9.338) 10.113 10.948 ( 5.382 -0.000 18.721) 19.479 11.274 ( 0.572 -0.000 0.027) 0.572 12.737 ( -4.588 0.000 5.749) 7.356 14.486 ( 2.284 -0.000 -10.475) 10.721 15.374 ( -2.503 0.000 -0.569) 2.567 15.577 ( -1.640 0.000 3.691) 4.039 15.865 ( -11.439 0.000 -15.678) 19.407 16.297 ( -2.494 0.000 -3.166) 4.030 16.876 ( 5.052 -0.000 8.447) 9.842 16.915 ( 3.551 -0.000 -6.086) 7.046 18.423 ( -1.377 0.000 -2.275) 2.659 18.890 ( 1.223 -0.000 4.434) 4.600 22.764 ( -0.695 0.000 0.288) 0.752 24.181 ( 2.385 -0.000 -1.208) 2.673 29.279 ( -1.591 0.000 4.459) 4.734 29.464 ( -3.826 0.000 -10.232) 10.924 29.770 ( -0.427 0.000 -0.960) 1.050 29.921 ( 2.810 -0.000 0.173) 2.815 30.458 ( -8.031 0.000 3.812) 8.890 30.732 ( 7.664 -0.000 6.912) 10.321 31.956 ( -8.313 0.000 6.278) 10.418 34.072 ( 9.387 -0.000 -10.862) 14.357 ======================= Grid point 185 (82/227) ======================= q-point: (-0.20 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -23.445 8.386 27.087) 36.792 2.489 ( -24.480 -4.968 -10.787) 27.209 3.182 ( -9.933 9.717 -8.420) 16.247 3.562 ( -16.364 -2.792 -18.379) 24.766 4.360 ( -15.788 7.173 -2.587) 17.533 4.638 ( -15.608 2.271 -6.838) 17.191 4.828 ( -9.167 -10.846 14.968) 20.633 4.863 ( -12.227 -6.821 6.225) 15.323 5.654 ( 4.872 -1.914 -2.219) 5.685 6.049 ( -1.677 -3.267 11.378) 11.956 6.829 ( -14.959 1.182 -13.303) 20.053 7.121 ( 6.171 -4.716 -0.664) 7.795 7.441 ( 11.095 -0.601 8.143) 13.776 7.665 ( 2.343 3.171 -1.671) 4.282 8.753 ( 7.436 -1.793 -5.273) 9.291 9.085 ( 8.225 21.637 -0.824) 23.162 9.394 ( 0.376 -0.533 -0.536) 0.844 9.765 ( 8.743 -9.452 3.049) 13.232 10.178 ( 5.068 0.460 -0.153) 5.091 10.315 ( 2.877 -7.413 -8.199) 11.421 11.145 ( 7.791 7.839 14.101) 17.916 11.291 ( 1.757 -0.443 2.444) 3.043 12.698 ( -5.954 0.073 5.430) 8.059 14.453 ( 2.039 -2.283 -9.868) 10.332 15.340 ( -1.351 0.047 -0.398) 1.409 15.574 ( -2.310 1.208 -0.958) 2.778 15.638 ( -4.411 -2.267 -8.442) 9.791 16.240 ( -1.018 0.429 -3.090) 3.281 16.917 ( 1.430 -1.695 -6.946) 7.292 16.998 ( 3.274 -0.666 6.374) 7.197 18.357 ( -2.438 3.234 -0.985) 4.168 18.956 ( 0.390 -3.357 3.298) 4.722 22.746 ( -2.796 -1.246 0.246) 3.071 24.213 ( 2.107 0.374 1.581) 2.661 29.178 ( -3.657 9.664 -0.975) 10.379 29.461 ( -0.374 -11.717 -5.563) 12.976 29.723 ( -3.170 0.126 -1.096) 3.356 29.942 ( 0.173 1.381 0.186) 1.404 30.377 ( -6.404 1.359 5.224) 8.376 30.913 ( 6.953 -4.230 3.904) 9.026 31.859 ( -5.410 7.705 8.017) 12.366 34.125 ( 8.866 -1.919 -15.160) 17.667 ======================= Grid point 186 (83/227) ======================= q-point: (-0.10 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -22.723 -0.726 16.213) 27.924 2.070 ( -31.591 -2.432 13.684) 34.513 2.899 ( -7.184 8.432 -11.723) 16.129 3.199 ( -17.049 -4.744 -21.713) 28.011 4.102 ( -14.118 -2.836 -0.008) 14.400 4.383 ( -13.438 -6.155 -8.384) 16.993 4.781 ( -17.836 -16.399 6.743) 25.149 4.988 ( -2.052 -4.086 16.635) 17.252 5.734 ( 3.543 -2.307 -1.010) 4.346 6.176 ( 2.259 -1.106 9.498) 9.825 6.547 ( -11.514 -4.801 -8.031) 14.836 7.305 ( 9.488 -6.819 -2.544) 11.958 7.573 ( 7.045 9.067 5.384) 12.682 7.748 ( 8.120 -2.762 3.810) 9.385 8.784 ( 10.856 18.251 -12.981) 24.888 8.920 ( -1.289 4.449 1.955) 5.027 9.319 ( -3.921 4.017 -2.164) 6.016 9.978 ( 4.546 -4.097 2.222) 6.511 10.246 ( 4.356 0.963 1.156) 4.608 10.415 ( 2.019 -10.823 -7.079) 13.089 11.135 ( 0.760 8.584 -0.013) 8.618 11.342 ( 5.236 9.945 3.107) 11.661 12.649 ( -6.200 -0.823 5.240) 8.159 14.478 ( 4.281 -5.158 -8.456) 10.791 15.333 ( 0.398 -0.287 0.013) 0.491 15.519 ( 1.039 -3.653 -5.162) 6.409 15.652 ( 1.391 -1.364 1.727) 2.604 16.234 ( 2.828 -0.385 -0.538) 2.904 16.899 ( -0.651 -2.669 -6.575) 7.126 17.069 ( 0.199 -0.998 2.283) 2.500 18.276 ( -3.410 3.237 2.242) 5.209 19.010 ( -0.907 -3.085 0.758) 3.303 22.725 ( -4.608 -3.119 2.102) 5.948 24.254 ( 1.584 1.626 5.187) 5.662 29.014 ( -3.110 5.786 -0.947) 6.637 29.567 ( 0.407 -7.154 -3.764) 8.094 29.681 ( -3.761 -5.333 -1.687) 6.740 29.913 ( 0.039 3.465 1.816) 3.912 30.307 ( -4.754 1.852 3.900) 6.422 31.049 ( -0.053 -6.310 -2.817) 6.911 31.740 ( 0.869 14.184 9.227) 16.943 34.152 ( 6.441 -3.145 -18.535) 19.873 ======================= Grid point 195 (84/227) ======================= q-point: (-0.20 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -27.840 0.000 -13.873) 31.105 2.038 ( -32.980 0.000 35.795) 48.672 3.075 ( -26.233 0.000 -23.746) 35.385 3.100 ( -5.294 0.000 -9.812) 11.149 4.083 ( -17.363 0.000 -4.448) 17.924 4.310 ( -26.961 0.000 3.849) 27.234 4.513 ( -11.322 0.000 -4.072) 12.032 4.941 ( -2.721 0.000 19.787) 19.973 5.703 ( 4.687 -0.000 -0.700) 4.739 6.145 ( 5.303 -0.000 13.876) 14.854 6.492 ( -15.826 0.000 -12.881) 20.405 7.214 ( 10.168 -0.000 -1.323) 10.254 7.672 ( 11.420 -0.000 8.041) 13.967 7.741 ( 5.709 -0.000 -0.432) 5.726 8.782 ( 3.401 -0.000 -2.528) 4.238 9.352 ( 7.268 -0.000 -11.540) 13.637 9.360 ( -2.224 0.000 -1.678) 2.786 9.827 ( 9.058 -0.000 -0.812) 9.094 10.223 ( -0.865 0.000 -5.355) 5.424 10.278 ( 5.659 -0.000 2.670) 6.257 11.254 ( -0.833 0.000 -2.523) 2.657 11.499 ( 11.943 -0.000 12.515) 17.299 12.637 ( -7.054 0.000 5.035) 8.667 14.384 ( 1.116 -0.000 -9.956) 10.019 15.331 ( 0.027 -0.000 0.485) 0.486 15.478 ( -0.202 0.000 -8.580) 8.582 15.616 ( 0.465 -0.000 3.642) 3.671 16.240 ( 2.996 -0.000 -1.816) 3.503 16.849 ( -1.263 0.000 -9.118) 9.205 17.058 ( -0.168 0.000 4.858) 4.861 18.320 ( -3.479 0.000 -1.741) 3.890 18.969 ( 0.042 -0.000 4.072) 4.072 22.684 ( -4.472 0.000 0.366) 4.487 24.276 ( 1.969 -0.000 7.391) 7.649 29.204 ( -2.685 0.000 -11.022) 11.345 29.321 ( -0.009 0.000 4.339) 4.339 29.646 ( -5.537 0.000 -0.684) 5.579 29.961 ( -0.530 0.000 1.975) 2.045 30.347 ( -4.925 0.000 5.920) 7.700 30.948 ( 0.958 -0.000 -0.901) 1.315 31.953 ( 0.813 -0.000 11.152) 11.181 34.095 ( 8.088 -0.000 -25.279) 26.542 ======================= Grid point 196 (85/227) ======================= q-point: (-0.10 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -29.906 -5.560 -7.887) 31.424 1.802 ( -37.662 -2.426 42.394) 56.759 2.457 ( -36.668 -6.927 -25.302) 45.086 2.833 ( -15.883 2.040 -13.380) 20.868 3.878 ( -11.171 1.390 0.966) 11.298 4.057 ( -11.514 -8.621 -1.332) 14.445 4.416 ( -11.470 -11.235 3.071) 16.346 5.033 ( -4.660 -2.295 17.503) 18.258 5.772 ( 3.831 -0.322 0.926) 3.954 6.205 ( -8.982 1.934 -4.340) 10.161 6.433 ( 11.818 -6.548 13.899) 19.384 7.374 ( 10.775 -2.994 -4.225) 11.955 7.800 ( 6.697 4.763 1.038) 8.284 7.880 ( 8.542 -0.989 4.840) 9.868 8.819 ( 2.430 -1.776 -4.321) 5.266 9.156 ( 0.774 22.279 -14.267) 26.467 9.270 ( -4.610 2.020 -3.647) 6.216 9.987 ( 5.742 -7.270 -4.473) 10.287 10.207 ( -1.867 -6.012 -3.876) 7.393 10.383 ( 4.207 -0.487 4.118) 5.907 11.194 ( -0.678 4.451 -2.675) 5.237 11.583 ( 4.330 14.753 -6.334) 16.629 12.574 ( -6.966 -1.069 4.855) 8.559 14.395 ( 4.425 -8.711 -9.482) 13.615 15.336 ( 0.054 -0.336 0.124) 0.362 15.526 ( 7.773 -1.597 2.160) 8.224 15.672 ( 2.300 -2.888 2.862) 4.671 16.298 ( 6.091 0.403 -0.134) 6.106 16.765 ( -3.626 -4.354 -9.399) 10.975 17.060 ( -3.033 0.265 2.186) 3.748 18.253 ( -3.866 0.292 0.432) 3.901 18.991 ( -0.806 0.453 2.173) 2.362 22.633 ( -5.208 -2.191 2.453) 6.159 24.379 ( 2.327 2.942 16.778) 17.192 29.040 ( -1.501 6.533 -4.760) 8.221 29.445 ( 1.608 -11.503 -0.641) 11.633 29.558 ( -6.354 -0.502 -0.355) 6.384 29.963 ( -0.880 1.532 5.493) 5.770 30.307 ( -3.515 2.173 4.407) 6.042 30.945 ( -2.032 -2.698 -3.699) 5.009 31.992 ( 2.482 10.726 8.980) 14.207 33.992 ( 4.221 -5.353 -37.877) 38.486 ======================= Grid point 206 (86/227) ======================= q-point: (-0.10 -0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -32.332 0.000 -0.181) 32.332 1.506 ( -43.532 0.000 34.861) 55.771 1.572 ( -48.456 0.000 -6.110) 48.840 2.433 ( -24.082 0.000 -9.395) 25.849 3.768 ( -10.342 0.000 -1.659) 10.475 3.904 ( 0.700 -0.000 2.019) 2.137 4.242 ( -6.993 0.000 5.506) 8.901 5.025 ( -8.233 0.000 10.281) 13.171 5.829 ( 2.527 -0.000 -1.358) 2.869 6.177 ( 3.624 -0.000 20.885) 21.197 6.725 ( 16.021 -0.000 14.202) 21.409 7.472 ( 9.482 -0.000 -5.656) 11.041 7.887 ( 2.460 -0.000 -2.907) 3.808 7.999 ( 4.969 -0.000 -1.281) 5.132 8.812 ( 1.811 -0.000 -7.628) 7.840 9.148 ( -7.277 0.000 -4.220) 8.412 9.149 ( -6.091 0.000 -23.733) 24.502 9.918 ( 3.982 -0.000 -12.185) 12.819 10.156 ( -2.118 0.000 5.920) 6.287 10.468 ( 2.616 -0.000 4.946) 5.596 11.202 ( 0.331 -0.000 -2.284) 2.308 11.588 ( -4.642 0.000 -32.773) 33.101 12.500 ( -6.422 0.000 4.769) 7.999 14.291 ( 2.408 -0.000 -9.596) 9.893 15.332 ( 0.060 -0.000 -0.043) 0.074 15.681 ( 0.889 -0.000 1.414) 1.670 15.757 ( 14.131 -0.000 13.966) 19.868 16.412 ( 8.130 -0.000 -0.045) 8.130 16.577 ( -6.992 0.000 -8.669) 11.138 17.015 ( -4.951 0.000 0.675) 4.997 18.193 ( -3.644 0.000 0.112) 3.645 19.006 ( -0.167 0.000 -1.223) 1.234 22.569 ( -4.663 0.000 4.767) 6.668 24.705 ( 13.060 -0.000 41.547) 43.551 29.035 ( 0.738 -0.000 -6.144) 6.188 29.381 ( -0.037 0.000 3.301) 3.301 29.468 ( -5.501 0.000 -0.094) 5.502 30.033 ( 1.754 -0.000 13.782) 13.894 30.304 ( -2.814 0.000 3.777) 4.710 30.890 ( -0.527 0.000 -2.789) 2.838 32.168 ( 0.982 -0.000 9.391) 9.442 33.494 ( -13.416 0.000 -78.916) 80.049 ======================= Grid point 207 (87/227) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 5.270 -0.000 32.315) 32.742 1.663 ( 18.681 -0.000 35.507) 40.121 2.525 ( 16.029 -0.000 21.266) 26.630 2.604 ( -8.282 0.000 51.798) 52.456 3.590 ( -3.293 0.000 0.991) 3.439 3.879 ( -6.239 0.000 -3.121) 6.976 4.510 ( -14.853 0.000 -12.009) 19.100 4.594 ( 0.848 -0.000 17.254) 17.275 6.001 ( 7.760 -0.000 1.651) 7.934 6.480 ( -19.958 0.000 -0.210) 19.959 6.622 ( -20.369 0.000 -15.558) 25.631 7.246 ( 5.429 -0.000 -16.665) 17.526 7.623 ( 9.091 -0.000 -10.013) 13.525 7.838 ( 0.292 -0.000 -5.683) 5.691 9.016 ( 5.133 -0.000 -1.375) 5.314 9.088 ( -5.594 0.000 4.121) 6.948 9.835 ( 6.856 -0.000 1.850) 7.101 10.326 ( 48.612 -0.000 -3.617) 48.746 10.431 ( -10.525 0.000 2.335) 10.781 10.442 ( 2.302 -0.000 7.433) 7.782 10.712 ( -3.344 0.000 8.129) 8.790 11.164 ( 2.158 -0.000 -2.647) 3.415 12.600 ( -4.855 0.000 10.621) 11.678 13.981 ( 8.056 -0.000 -17.189) 18.983 15.383 ( 0.080 -0.000 2.481) 2.482 15.642 ( -1.858 0.000 -2.495) 3.111 16.000 ( -4.728 0.000 1.616) 4.996 16.486 ( -2.874 0.000 -5.058) 5.818 16.530 ( 3.820 -0.000 3.797) 5.386 16.830 ( 0.845 -0.000 -3.335) 3.440 18.220 ( 0.490 -0.000 4.362) 4.389 18.630 ( -3.002 0.000 -3.580) 4.672 22.938 ( -0.740 0.000 21.416) 21.429 24.868 ( -23.841 0.000 -17.204) 29.400 29.068 ( 0.397 -0.000 0.526) 0.659 29.312 ( -2.964 0.000 -2.763) 4.052 29.482 ( -0.063 0.000 4.491) 4.492 29.964 ( -4.631 0.000 -6.355) 7.864 30.503 ( -9.756 0.000 6.657) 11.811 30.852 ( 3.096 -0.000 -2.022) 3.698 32.345 ( -11.804 0.000 8.765) 14.702 33.090 ( 61.717 -0.000 -5.484) 61.960 ======================= Grid point 208 (88/227) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 14.305 -11.605 27.909) 33.440 2.225 ( 14.301 -10.263 29.427) 34.290 2.958 ( 16.126 1.162 39.458) 42.642 3.060 ( 19.203 -7.358 21.974) 30.095 3.575 ( 1.816 -2.310 -2.696) 3.988 3.763 ( -11.220 -7.562 -4.077) 14.131 4.283 ( -8.963 -7.084 -11.845) 16.457 4.763 ( 3.688 -1.077 16.979) 17.409 6.009 ( -4.418 4.975 -2.708) 7.183 6.197 ( -11.414 2.723 -8.475) 14.475 6.442 ( -1.475 -8.161 6.485) 10.528 7.227 ( 1.286 -6.273 -15.822) 17.069 7.602 ( -0.430 5.386 -7.841) 9.522 7.752 ( -2.616 -1.646 -9.269) 9.771 9.031 ( -6.175 -2.680 0.640) 6.761 9.095 ( 7.541 1.651 0.593) 7.743 9.897 ( 0.371 3.590 0.286) 3.621 10.131 ( -7.941 24.516 9.084) 27.324 10.460 ( 5.369 4.955 -2.158) 7.618 10.637 ( -2.743 1.945 6.351) 7.186 10.852 ( 10.438 -6.669 -12.168) 17.363 11.169 ( 2.229 1.755 -2.460) 3.756 12.632 ( -3.063 -1.988 10.499) 11.116 14.033 ( 8.683 -6.735 -18.778) 21.758 15.406 ( -0.737 -1.364 2.849) 3.243 15.595 ( -2.756 -1.078 -3.234) 4.383 15.984 ( -2.462 -0.380 6.171) 6.654 16.404 ( -4.114 -3.101 -5.196) 7.317 16.650 ( 9.721 0.809 0.447) 9.765 16.835 ( 2.384 -0.365 -3.346) 4.125 18.267 ( 1.104 1.553 5.351) 5.680 18.636 ( 2.514 -6.024 -4.180) 7.751 23.094 ( -0.286 0.921 23.916) 23.936 24.420 ( -15.643 5.790 -8.694) 18.810 29.087 ( 0.642 2.378 1.983) 3.163 29.330 ( 1.266 -10.442 -4.334) 11.377 29.535 ( 3.079 0.130 5.207) 6.051 29.885 ( -1.264 0.684 -4.019) 4.268 30.420 ( -6.435 1.961 7.420) 10.016 30.891 ( 4.488 -0.311 -1.668) 4.798 32.178 ( -17.079 1.644 4.796) 17.816 33.715 ( 35.990 1.193 -19.547) 40.973 ======================= Grid point 209 (89/227) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 11.004 -6.316 17.848) 21.899 2.609 ( -2.636 3.621 36.778) 37.050 3.372 ( 3.928 -6.900 -4.001) 8.891 3.566 ( 18.731 -7.445 15.327) 25.322 3.674 ( -9.628 -8.679 -7.081) 14.771 3.760 ( 16.613 -13.108 5.287) 21.812 4.366 ( 8.568 -15.034 5.236) 18.079 4.954 ( 5.163 -0.033 15.116) 15.973 5.821 ( -6.264 4.371 -4.781) 9.011 6.042 ( -4.145 -2.375 -2.469) 5.378 6.691 ( 10.029 -6.988 10.598) 16.179 7.169 ( -6.751 -5.646 -13.472) 16.092 7.432 ( 0.184 7.379 -5.840) 9.412 7.693 ( -3.004 -3.575 -7.108) 8.505 8.989 ( -5.701 -6.140 -2.560) 8.761 9.192 ( 6.832 2.794 2.683) 7.854 9.528 ( -17.718 28.060 -2.798) 33.303 9.941 ( -0.165 7.407 3.789) 8.321 10.427 ( 1.898 5.884 -2.951) 6.851 10.621 ( -2.210 0.456 5.257) 5.721 10.906 ( 0.673 -4.929 -10.842) 11.929 11.136 ( 0.659 4.226 -1.927) 4.691 12.698 ( -2.511 -2.745 10.445) 11.087 14.106 ( 9.252 -5.629 -18.415) 21.363 15.430 ( -1.461 -1.561 2.573) 3.346 15.544 ( -2.890 -1.641 -2.978) 4.463 15.976 ( -3.654 2.272 5.475) 6.963 16.383 ( -2.836 -3.224 0.693) 4.349 16.733 ( 6.818 2.285 -7.000) 10.035 16.899 ( 6.304 -2.669 -1.135) 6.939 18.286 ( 0.316 3.233 6.037) 6.856 18.764 ( 5.082 -9.234 -4.399) 11.422 23.227 ( -2.028 3.699 24.049) 24.416 24.157 ( -5.068 3.183 -8.135) 10.100 29.056 ( -2.542 1.546 2.335) 3.782 29.486 ( 4.940 -7.892 -3.295) 9.876 29.662 ( 6.388 -3.389 5.309) 8.970 29.840 ( 0.486 1.319 -3.266) 3.555 30.385 ( -3.546 -0.551 6.824) 7.710 30.967 ( 6.330 -1.062 -2.400) 6.853 31.861 ( -22.159 5.209 0.578) 22.770 33.938 ( 18.823 2.188 -18.451) 26.449 ======================= Grid point 210 (90/227) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 6.577 -2.545 7.654) 10.408 2.647 ( -7.914 9.408 24.723) 27.611 3.411 ( -13.515 -4.871 7.353) 16.139 3.490 ( -2.475 -3.555 -17.600) 18.125 3.872 ( 8.703 -8.441 6.410) 13.714 4.448 ( 27.970 -16.455 7.701) 33.352 4.788 ( 9.358 -12.551 10.084) 18.622 5.121 ( 4.573 0.051 12.390) 13.207 5.697 ( -0.112 1.511 -4.627) 4.868 6.062 ( 0.125 -4.816 1.745) 5.123 6.953 ( -5.229 -8.013 -2.849) 9.983 7.026 ( 5.200 1.099 0.755) 5.368 7.401 ( 5.270 3.259 0.749) 6.241 7.646 ( -3.577 -5.025 -5.617) 8.342 8.836 ( -18.457 30.372 -4.352) 35.806 8.980 ( -4.611 -8.677 -4.381) 10.758 9.269 ( 3.327 2.368 1.127) 4.236 9.891 ( -0.677 1.787 0.286) 1.932 10.340 ( -0.437 7.461 -0.322) 7.480 10.634 ( -0.258 -1.493 0.936) 1.781 10.866 ( -2.956 -2.800 -7.502) 8.536 11.074 ( 1.182 5.087 -2.043) 5.607 12.767 ( -3.109 -2.584 10.640) 11.382 14.181 ( 10.204 -4.092 -17.270) 20.472 15.421 ( -2.478 0.211 0.539) 2.545 15.526 ( -1.793 -3.236 -0.581) 3.744 15.905 ( -2.885 5.048 1.873) 6.109 16.364 ( -2.813 1.730 2.205) 3.971 16.759 ( 2.949 -3.529 -5.744) 7.358 17.015 ( 6.839 -0.401 -0.962) 6.918 18.293 ( -0.545 2.502 6.523) 7.007 18.917 ( 4.654 -7.921 -3.896) 9.979 23.274 ( -4.720 6.841 20.469) 22.092 24.055 ( 1.046 0.085 -7.711) 7.782 29.029 ( -2.872 -0.964 2.742) 4.086 29.593 ( 5.293 -0.877 -1.599) 5.599 29.769 ( 0.154 0.228 -2.684) 2.698 29.872 ( 3.815 -2.129 4.165) 6.035 30.445 ( 1.212 -4.569 4.743) 6.697 31.060 ( 7.248 -0.866 -3.395) 8.050 31.459 ( -21.373 4.511 -0.679) 21.854 34.008 ( 10.663 0.911 -14.988) 18.417 ======================= Grid point 211 (91/227) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 3.838 1.695 1.808) 4.569 2.577 ( -6.910 4.579 11.530) 14.200 3.220 ( -9.004 2.995 -2.771) 9.886 3.448 ( -8.791 -1.034 7.315) 11.483 4.166 ( 8.433 -8.200 7.890) 14.164 4.871 ( 1.870 1.575 0.874) 2.597 4.990 ( 8.587 -3.131 5.369) 10.600 5.325 ( 5.500 -7.242 9.164) 12.910 5.725 ( 5.889 -1.235 -2.709) 6.599 6.153 ( -0.123 -5.359 3.296) 6.292 6.846 ( -7.968 -4.744 -3.021) 9.754 7.119 ( 2.166 1.956 -5.977) 6.652 7.512 ( 7.715 -2.304 6.798) 10.537 7.653 ( 0.133 -3.887 -1.556) 4.189 8.257 ( -10.254 22.380 -1.459) 24.661 9.003 ( -2.620 -9.457 -5.671) 11.334 9.249 ( -0.965 4.980 0.602) 5.109 9.890 ( 0.040 -3.788 -2.814) 4.719 10.245 ( -0.608 7.090 2.453) 7.527 10.654 ( 2.208 -0.001 -2.798) 3.564 10.805 ( -3.820 -2.987 -3.130) 5.772 11.027 ( 1.854 2.883 -3.169) 4.669 12.819 ( -4.305 -1.989 11.012) 11.989 14.251 ( 10.214 -2.412 -16.631) 19.665 15.378 ( -1.978 0.931 -0.274) 2.203 15.548 ( -1.166 -3.485 0.624) 3.728 15.802 ( -1.312 6.936 -1.190) 7.159 16.314 ( -0.431 3.417 1.479) 3.748 16.813 ( 0.172 -6.019 -3.282) 6.858 17.085 ( 4.605 1.806 -0.763) 5.005 18.306 ( -1.433 1.176 7.373) 7.602 19.022 ( 2.705 -4.576 -3.914) 6.601 23.222 ( -6.537 8.223 14.878) 18.213 24.057 ( 3.479 -1.886 -5.189) 6.526 29.031 ( -2.364 -1.673 3.263) 4.363 29.637 ( 1.544 0.157 -3.708) 4.019 29.735 ( 2.473 2.695 -1.303) 3.883 29.946 ( -0.447 -0.186 4.354) 4.380 30.507 ( 0.087 1.610 -2.742) 3.181 31.088 ( -11.558 -12.382 -8.256) 18.843 31.276 ( 5.739 5.551 10.233) 12.980 34.028 ( 6.523 0.176 -12.538) 14.134 ======================= Grid point 212 (92/227) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -3.909 10.082 0.966) 10.856 2.509 ( 0.194 -1.637 -0.853) 1.856 3.090 ( -2.738 4.842 3.628) 6.642 3.310 ( -19.929 3.797 16.825) 26.357 4.340 ( -0.555 -0.191 2.023) 2.107 4.742 ( -5.194 7.111 0.228) 8.809 5.142 ( 4.267 0.486 6.616) 7.888 5.491 ( -0.383 -0.857 7.241) 7.302 5.772 ( 2.726 2.228 -3.223) 4.773 6.215 ( -2.200 -3.487 3.412) 5.352 6.777 ( -5.193 0.018 1.209) 5.332 7.063 ( 4.329 -1.715 -12.653) 13.483 7.652 ( 1.895 6.774 7.507) 10.288 7.749 ( 3.779 -12.170 -3.783) 13.293 8.014 ( 2.622 8.982 5.299) 10.753 9.045 ( -1.319 -7.528 -5.384) 9.348 9.142 ( -4.441 4.119 -0.357) 6.068 9.928 ( 0.580 -6.130 -6.618) 9.039 10.208 ( 0.997 3.344 5.719) 6.699 10.636 ( 3.863 5.866 -5.494) 8.917 10.806 ( -3.621 -8.088 -0.198) 8.864 11.018 ( 2.375 -0.555 -4.081) 4.754 12.844 ( -5.724 -0.913 11.253) 12.658 14.296 ( 9.633 -0.425 -16.410) 19.033 15.347 ( -0.386 0.852 0.024) 0.936 15.581 ( -0.391 -3.192 0.222) 3.224 15.690 ( 0.211 7.079 -2.414) 7.482 16.305 ( 3.158 3.632 2.378) 5.368 16.852 ( -1.100 -4.865 -2.957) 5.799 17.098 ( 1.648 2.300 -1.032) 3.012 18.328 ( -2.287 0.104 8.314) 8.624 19.051 ( 0.657 -1.086 -4.363) 4.543 23.109 ( -7.438 7.790 10.778) 15.237 24.120 ( 4.114 -3.461 -1.991) 5.733 29.035 ( -1.821 0.393 3.553) 4.012 29.591 ( -3.155 -1.557 -4.162) 5.450 29.780 ( 6.616 1.795 0.429) 6.868 29.920 ( -2.575 3.502 -0.170) 4.350 30.401 ( -4.231 2.899 -2.334) 5.635 31.022 ( -8.562 -10.111 -8.017) 15.486 31.466 ( 9.424 -0.139 12.199) 15.416 34.012 ( 3.980 0.936 -12.230) 12.896 ======================= Grid point 213 (93/227) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -6.680 17.040 -1.732) 18.384 2.527 ( -1.841 -2.422 -2.405) 3.878 2.925 ( -10.903 6.238 -18.378) 22.261 3.102 ( -23.795 7.677 47.309) 53.510 4.188 ( -11.406 4.780 -3.552) 12.867 4.556 ( -5.607 13.044 2.185) 14.366 5.236 ( 0.260 4.465 9.284) 10.305 5.430 ( -6.231 8.268 11.345) 15.359 5.738 ( 1.780 1.587 -5.183) 5.706 6.224 ( -4.086 -1.813 3.244) 5.523 6.742 ( 2.247 4.746 5.959) 7.943 7.096 ( 9.831 -2.187 -18.591) 21.143 7.652 ( 2.334 2.392 6.064) 6.924 7.863 ( 3.459 -2.503 0.008) 4.270 8.151 ( 5.970 -10.181 0.696) 11.822 8.993 ( -4.812 1.760 0.258) 5.130 9.115 ( -1.607 -6.026 -2.900) 6.878 9.954 ( 2.150 -3.769 -8.372) 9.430 10.266 ( 1.363 -1.488 5.936) 6.270 10.550 ( 1.959 8.185 -4.833) 9.705 10.873 ( -2.189 -9.659 -1.357) 9.996 11.038 ( 0.706 -4.165 -6.184) 7.489 12.832 ( -7.139 0.757 11.148) 13.259 14.311 ( 9.807 1.853 -16.906) 19.632 15.348 ( 1.228 0.533 0.557) 1.450 15.600 ( 2.137 2.591 -1.329) 3.612 15.639 ( 1.251 -0.362 0.267) 1.330 16.343 ( 5.798 4.332 2.603) 7.691 16.848 ( -0.686 -0.198 -4.018) 4.081 17.072 ( -2.260 -0.175 -0.710) 2.375 18.351 ( -2.914 0.039 8.523) 9.008 19.016 ( -0.805 0.936 -4.496) 4.663 22.979 ( -7.731 6.487 9.220) 13.670 24.239 ( 4.322 -6.172 2.031) 7.804 29.021 ( -0.439 2.710 3.362) 4.341 29.549 ( -2.760 -2.428 -2.065) 4.216 29.791 ( -3.591 6.036 -4.455) 8.317 29.877 ( 5.846 -1.218 1.898) 6.266 30.333 ( -3.515 -0.429 2.864) 4.554 30.946 ( -5.561 -3.815 -8.213) 10.626 31.678 ( 5.565 -3.238 8.701) 10.824 33.926 ( 1.242 4.459 -14.918) 15.619 ======================= Grid point 214 (94/227) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -9.388 23.701 2.648) 25.630 2.276 ( -26.537 6.806 -9.790) 29.092 2.627 ( -6.223 3.177 0.078) 6.988 2.970 ( -24.706 11.533 42.583) 50.564 3.918 ( -13.604 4.297 -1.145) 14.312 4.330 ( -3.973 13.867 4.169) 15.015 4.996 ( -14.810 19.190 9.108) 25.895 5.416 ( -1.811 5.994 8.699) 10.719 5.736 ( 3.394 -0.092 -3.002) 4.532 6.207 ( -3.987 -2.360 6.602) 8.066 6.846 ( 12.549 4.355 8.309) 15.668 7.134 ( 12.296 -1.293 -19.578) 23.155 7.740 ( 3.524 -2.579 0.451) 4.390 7.941 ( 4.068 -0.760 -1.811) 4.517 8.343 ( 1.490 -13.004 -3.456) 13.538 8.967 ( -2.681 -3.533 6.665) 8.006 9.130 ( -0.996 -2.130 -1.825) 2.976 9.949 ( 3.748 1.376 -11.933) 12.583 10.298 ( -1.840 2.704 0.756) 3.356 10.496 ( 1.807 0.383 3.832) 4.254 10.937 ( -2.199 -8.123 -5.420) 10.010 11.034 ( -3.610 -7.376 -7.147) 10.886 12.777 ( -8.164 2.466 10.840) 13.793 14.293 ( 10.981 5.218 -19.079) 22.624 15.364 ( 1.294 1.142 0.417) 1.776 15.636 ( 4.364 0.766 3.483) 5.636 15.697 ( 4.131 -3.549 -0.591) 5.478 16.396 ( 6.484 4.634 1.755) 8.160 16.771 ( -0.548 5.802 -5.314) 7.886 17.031 ( -5.668 -3.003 0.277) 6.420 18.354 ( -2.977 1.866 6.957) 7.793 18.951 ( -2.114 0.642 -4.211) 4.755 22.867 ( -7.177 4.848 10.107) 13.310 24.446 ( 5.069 -12.083 6.912) 14.815 29.016 ( 2.228 3.639 2.936) 5.179 29.527 ( -3.608 -1.797 0.163) 4.034 29.639 ( -1.603 6.390 -3.872) 7.642 30.014 ( 5.322 -3.901 5.420) 8.539 30.326 ( -2.814 -1.388 3.725) 4.871 30.839 ( -5.152 -0.835 -6.814) 8.584 31.828 ( 2.657 -5.077 2.341) 6.190 33.689 ( -3.053 13.133 -19.945) 24.075 ======================= Grid point 215 (95/227) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -13.579 22.964 11.751) 29.152 1.700 ( -23.855 17.992 4.614) 30.233 2.483 ( -8.268 7.759 5.568) 12.632 2.711 ( -31.239 12.655 45.775) 56.845 3.718 ( -7.959 0.707 -0.301) 7.996 4.160 ( -3.933 11.841 6.092) 13.885 4.637 ( -11.903 14.263 11.144) 21.664 5.232 ( -11.495 10.049 -2.569) 15.483 5.787 ( 4.502 0.480 0.977) 4.632 6.351 ( 2.273 -11.849 12.887) 17.653 7.048 ( 11.486 -0.919 -4.705) 12.446 7.241 ( 17.964 1.949 -10.028) 20.665 7.780 ( 0.611 -2.555 -5.385) 5.992 7.890 ( -3.437 5.260 -13.712) 15.083 8.526 ( 5.289 -12.492 5.820) 14.761 9.057 ( -1.480 -4.676 5.176) 7.131 9.142 ( 3.490 3.161 7.814) 9.123 9.833 ( 3.308 7.811 -15.316) 17.508 10.252 ( -2.036 -0.886 3.986) 4.562 10.597 ( 1.122 -2.777 8.349) 8.870 10.866 ( -10.345 -6.679 -11.301) 16.713 11.068 ( 0.368 -6.578 -2.658) 7.104 12.696 ( -8.211 3.162 10.653) 13.817 14.219 ( 11.270 9.960 -21.810) 26.493 15.366 ( 1.027 1.685 0.803) 2.131 15.687 ( 1.586 -0.120 -0.681) 1.730 15.881 ( 7.508 -7.429 4.196) 11.365 16.441 ( 4.990 3.419 0.847) 6.107 16.630 ( -0.929 8.284 -4.112) 9.295 16.976 ( -6.488 -2.367 -0.595) 6.932 18.310 ( -2.823 4.883 4.122) 6.986 18.873 ( -4.291 -0.381 -5.074) 6.656 22.806 ( -5.525 3.006 13.175) 14.600 24.797 ( 5.971 -22.937 6.270) 24.517 29.043 ( 4.660 3.483 2.317) 6.262 29.474 ( -5.175 -0.263 1.214) 5.322 29.547 ( 0.897 5.845 -1.514) 6.104 30.199 ( 5.753 -1.267 2.376) 6.352 30.359 ( -0.208 -7.977 9.322) 12.271 30.722 ( -7.427 -1.592 -3.928) 8.551 31.926 ( 4.149 -4.254 -2.999) 6.656 33.206 ( -7.743 28.553 -18.539) 34.913 ======================= Grid point 216 (96/227) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -4.600 26.399 24.215) 36.117 1.308 ( -7.151 10.541 31.429) 33.912 2.347 ( -1.201 9.669 14.787) 17.709 2.510 ( -24.923 4.641 49.630) 55.730 3.638 ( -4.593 -1.084 0.150) 4.721 4.001 ( -4.807 7.807 3.168) 9.700 4.511 ( -3.863 3.859 15.060) 16.019 4.868 ( -15.550 7.735 -8.691) 19.421 5.874 ( 6.385 0.093 2.338) 6.800 6.606 ( -9.907 -20.953 0.706) 23.188 7.037 ( -6.947 1.835 -15.856) 17.408 7.363 ( 12.626 11.591 -18.182) 24.987 7.571 ( 0.195 6.590 -10.120) 12.078 7.807 ( 3.940 -2.042 -2.657) 5.172 8.900 ( 6.328 -13.039 3.431) 14.894 9.104 ( -1.244 -0.891 6.378) 6.559 9.404 ( 35.530 0.395 21.963) 41.772 9.748 ( 5.997 2.515 -4.935) 8.164 10.317 ( 0.312 -4.792 5.812) 7.539 10.651 ( -4.089 5.697 1.455) 7.162 10.706 ( -9.240 -6.448 1.456) 11.361 11.132 ( 1.992 -3.369 -2.576) 4.686 12.625 ( -6.959 2.202 10.644) 12.907 14.074 ( 8.839 11.191 -20.545) 25.009 15.369 ( 0.754 1.251 1.703) 2.244 15.682 ( -0.128 0.798 -2.271) 2.411 16.041 ( -1.627 -4.521 0.974) 4.902 16.474 ( 2.431 0.976 1.492) 3.015 16.533 ( 2.139 4.524 -1.765) 5.306 16.888 ( -5.118 -0.254 -3.235) 6.060 18.232 ( -2.305 4.318 3.337) 5.924 18.750 ( -6.356 0.857 -5.623) 8.529 22.828 ( -2.992 1.063 17.538) 17.823 25.118 ( -6.292 -22.837 -14.125) 27.580 29.076 ( 1.849 2.033 0.471) 2.788 29.410 ( -2.789 3.574 -0.972) 4.637 29.477 ( -1.675 2.508 2.058) 3.651 30.124 ( -6.600 1.249 -9.259) 11.439 30.606 ( -12.346 -5.312 1.349) 13.508 30.713 ( 9.769 -11.781 6.391) 16.585 32.141 ( 25.223 -2.885 8.743) 26.851 32.669 ( 3.318 31.714 1.775) 31.936 ======================= Grid point 218 (97/227) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 27.732 -0.000 27.516) 39.066 2.543 ( 13.435 -0.000 23.045) 26.676 3.356 ( -9.333 0.000 -6.528) 11.389 3.361 ( 7.177 -0.000 15.286) 16.887 3.584 ( 2.270 -0.000 2.676) 3.509 3.656 ( 25.092 -0.000 10.877) 27.349 4.137 ( 2.601 -0.000 2.106) 3.346 4.956 ( 6.306 -0.000 16.380) 17.552 5.934 ( -10.837 0.000 -6.215) 12.493 5.953 ( -5.458 0.000 -0.923) 5.536 6.611 ( 14.574 -0.000 11.863) 18.792 7.074 ( -3.291 0.000 -13.934) 14.317 7.591 ( -2.417 0.000 -12.193) 12.430 7.593 ( -3.118 0.000 -3.245) 4.501 8.908 ( -6.757 0.000 -2.166) 7.096 9.212 ( 6.779 -0.000 0.437) 6.793 9.857 ( -8.207 0.000 -4.386) 9.305 10.185 ( -11.790 0.000 6.592) 13.508 10.597 ( -4.164 0.000 -6.221) 7.486 10.611 ( 2.369 -0.000 7.349) 7.721 10.690 ( -4.934 0.000 -12.494) 13.433 11.193 ( 2.043 -0.000 -3.337) 3.913 12.662 ( -1.561 0.000 10.091) 10.211 14.017 ( 11.200 -0.000 -16.781) 20.175 15.407 ( -1.081 0.000 3.507) 3.670 15.524 ( -2.910 0.000 -2.860) 4.080 16.030 ( -0.296 0.000 10.451) 10.455 16.308 ( -1.110 0.000 -3.726) 3.888 16.806 ( -0.979 0.000 -5.896) 5.977 16.822 ( 11.665 -0.000 -1.311) 11.739 18.373 ( 4.436 -0.000 5.629) 7.167 18.597 ( 2.994 -0.000 -5.105) 5.918 23.273 ( -1.488 0.000 25.969) 26.012 24.204 ( -8.604 0.000 -8.682) 12.224 29.186 ( -2.414 0.000 -3.691) 4.410 29.247 ( 10.097 -0.000 2.292) 10.354 29.641 ( 5.557 -0.000 6.153) 8.291 29.857 ( 0.056 -0.000 -3.231) 3.231 30.386 ( -6.288 0.000 6.707) 9.194 30.918 ( 2.129 -0.000 -2.201) 3.062 31.964 ( -16.460 0.000 0.760) 16.477 33.965 ( 18.373 -0.000 -22.127) 28.760 ======================= Grid point 219 (98/227) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 26.024 17.089 14.817) 34.479 2.871 ( -3.516 6.139 21.927) 23.040 3.181 ( -1.215 -13.524 -3.291) 13.971 3.455 ( 3.474 -2.004 -12.139) 12.784 3.668 ( 5.348 -6.490 -1.138) 8.486 4.175 ( 26.972 -1.103 16.485) 31.630 4.423 ( 11.472 -13.629 13.356) 22.266 5.159 ( 6.631 1.245 13.858) 15.413 5.762 ( -4.195 3.923 -2.362) 6.210 5.930 ( -3.832 -5.930 1.207) 7.163 6.871 ( 0.229 1.513 -5.383) 5.596 6.983 ( 9.068 -4.230 3.397) 10.567 7.477 ( -0.638 3.025 -1.691) 3.524 7.554 ( -1.217 -2.886 -6.712) 7.406 8.817 ( -5.452 -3.671 -3.284) 7.347 9.287 ( 1.559 0.672 -1.888) 2.539 9.514 ( -15.481 18.661 -7.790) 25.468 9.954 ( -12.668 2.532 -1.263) 12.980 10.434 ( -0.974 0.528 -11.171) 11.225 10.602 ( -6.498 0.217 7.676) 10.059 10.748 ( -0.171 -6.377 2.558) 6.873 11.169 ( 0.566 2.159 -4.713) 5.214 12.721 ( -1.328 -0.994 9.781) 9.921 14.090 ( 12.245 -2.474 -16.624) 20.795 15.420 ( -1.173 -0.257 3.273) 3.486 15.471 ( -2.239 -0.993 -2.049) 3.193 16.061 ( 0.541 6.709 7.433) 10.027 16.337 ( 1.248 -4.405 1.695) 4.882 16.712 ( -3.051 0.277 -8.622) 9.150 16.976 ( 8.273 -1.879 -1.405) 8.599 18.418 ( 3.039 7.100 4.583) 8.981 18.686 ( 4.183 -9.644 -3.728) 11.154 23.397 ( -5.032 2.750 25.108) 25.755 24.059 ( -1.919 0.170 -9.473) 9.667 29.090 ( -0.974 4.787 -1.464) 5.100 29.484 ( 10.046 -6.587 0.465) 12.022 29.775 ( 5.305 0.494 5.553) 7.696 29.845 ( 1.944 -0.448 -1.654) 2.591 30.356 ( -4.486 -1.826 6.449) 8.065 30.916 ( -4.381 -4.989 -4.974) 8.295 31.713 ( -9.293 8.508 0.189) 12.600 34.002 ( 8.619 -0.797 -20.285) 22.055 ======================= Grid point 220 (99/227) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 2.155 10.453 -3.784) 11.324 2.803 ( 16.696 17.126 6.281) 24.729 3.338 ( -6.432 3.885 15.555) 17.275 3.421 ( 3.506 -1.382 -2.366) 4.449 3.934 ( 12.678 -10.457 2.278) 16.592 4.686 ( 13.434 -13.257 6.950) 20.113 4.830 ( 12.367 -9.265 9.107) 17.937 5.288 ( 2.970 3.686 10.382) 11.411 5.700 ( 3.043 0.077 -2.838) 4.162 5.990 ( -2.915 -8.105 3.884) 9.448 6.745 ( -3.346 -1.637 -9.131) 9.862 7.178 ( 3.445 1.712 -0.008) 3.847 7.449 ( -0.175 -1.342 3.227) 3.499 7.606 ( 7.586 -1.684 0.554) 7.790 8.795 ( -6.345 -3.105 -3.482) 7.875 8.837 ( -14.225 18.597 -10.097) 25.498 9.348 ( -0.149 4.119 1.076) 4.260 9.794 ( -8.430 -5.287 -5.270) 11.260 10.360 ( -0.772 1.169 -4.504) 4.717 10.570 ( -5.622 -1.300 6.658) 8.811 10.810 ( 0.234 -0.635 2.509) 2.598 11.104 ( 0.380 2.557 -5.710) 6.268 12.779 ( -2.259 -1.099 9.860) 10.174 14.185 ( 12.294 -2.489 -16.334) 20.595 15.403 ( -1.314 0.991 -0.209) 1.659 15.473 ( -0.889 -2.366 1.804) 3.105 16.002 ( 0.523 9.291 1.673) 9.455 16.402 ( 1.677 1.953 2.983) 3.940 16.635 ( -3.224 -6.984 -7.976) 11.081 17.087 ( 4.581 -1.338 0.083) 4.773 18.395 ( 1.129 6.177 4.715) 7.853 18.845 ( 3.425 -9.376 -2.786) 10.364 23.405 ( -8.667 6.014 20.011) 22.621 24.008 ( 1.865 -1.901 -8.103) 8.529 29.034 ( 0.028 2.123 0.001) 2.124 29.639 ( 3.797 -0.747 -1.963) 4.339 29.808 ( 4.362 2.973 -1.128) 5.398 29.929 ( 1.657 -1.047 5.383) 5.728 30.436 ( 2.125 -6.618 5.931) 9.137 30.793 ( -15.940 -7.773 -8.897) 19.841 31.561 ( 6.004 13.004 4.274) 14.947 33.982 ( 4.098 -3.326 -17.203) 17.994 ======================= Grid point 221 (100/227) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 2.775 7.756 -4.199) 9.246 2.881 ( 20.980 21.537 0.441) 30.070 3.225 ( 0.031 6.584 -8.305) 10.598 3.446 ( -13.131 5.891 28.628) 32.042 4.245 ( 9.437 -6.996 3.282) 12.197 4.838 ( -3.469 -1.958 -0.943) 4.093 5.122 ( 6.274 -2.207 6.214) 9.102 5.410 ( 6.616 -3.073 8.849) 11.468 5.778 ( 6.367 -1.395 -3.735) 7.512 6.080 ( -3.360 -8.309 4.776) 10.156 6.704 ( 0.269 -2.183 -4.183) 4.726 7.091 ( -3.141 1.444 -5.837) 6.784 7.545 ( 4.825 -3.232 0.217) 5.811 7.750 ( 5.694 0.656 5.793) 8.149 8.321 ( -11.128 13.986 -5.009) 18.562 8.864 ( 1.962 -5.963 -2.638) 6.809 9.241 ( -7.478 3.082 -1.670) 8.259 9.754 ( -2.686 -6.784 -5.215) 8.969 10.314 ( -0.164 3.183 1.303) 3.443 10.567 ( -4.192 -4.152 3.100) 6.665 10.811 ( 0.027 2.523 1.098) 2.751 11.055 ( 2.773 2.426 -5.055) 6.256 12.821 ( -3.680 -0.846 10.394) 11.058 14.269 ( 11.431 -1.443 -15.969) 19.692 15.375 ( 0.014 1.251 -0.490) 1.343 15.508 ( -0.382 -2.384 1.859) 3.047 15.879 ( -0.856 8.329 -3.643) 9.131 16.411 ( 4.500 4.830 1.865) 6.860 16.661 ( -2.655 -9.990 -4.479) 11.265 17.138 ( 1.152 0.473 0.478) 1.334 18.376 ( -0.538 4.099 6.534) 7.732 18.958 ( 1.579 -6.412 -3.362) 7.410 23.299 ( -10.372 7.246 13.915) 18.807 24.031 ( 2.750 -3.700 -5.388) 7.091 29.037 ( 1.243 0.061 1.270) 1.778 29.594 ( -3.665 2.211 -3.220) 5.356 29.849 ( 5.971 2.983 -1.089) 6.763 29.967 ( -1.373 0.255 3.181) 3.474 30.488 ( -5.478 2.815 -5.030) 7.951 30.697 ( -3.668 -13.374 1.254) 13.924 31.604 ( 11.079 9.424 7.266) 16.259 33.960 ( 1.575 -4.713 -14.425) 15.257 ======================= Grid point 222 (101/227) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 6.637 9.762 -4.201) 12.530 2.855 ( 11.816 25.993 -0.441) 28.556 3.056 ( -1.971 3.782 -19.479) 19.941 3.322 ( -21.758 10.230 44.014) 50.153 4.309 ( -3.687 3.974 -4.563) 7.086 4.811 ( 1.147 5.929 4.796) 7.712 5.238 ( 3.244 -2.450 8.179) 9.134 5.564 ( 2.613 1.887 7.796) 8.436 5.798 ( 1.201 2.325 -5.282) 5.895 6.144 ( -3.608 -5.399 2.551) 6.977 6.742 ( 2.498 -3.226 1.572) 4.373 7.064 ( 7.472 0.166 -8.844) 11.579 7.641 ( 1.869 -4.961 -2.490) 5.858 7.816 ( 2.039 2.903 5.079) 6.195 8.093 ( -4.904 1.513 -1.627) 5.383 8.945 ( 0.218 -5.559 -2.752) 6.207 9.074 ( -6.454 2.413 -0.567) 6.913 9.786 ( 0.314 -7.019 -5.448) 8.890 10.299 ( 0.561 3.207 4.861) 5.851 10.587 ( -2.417 -6.019 -2.421) 6.923 10.776 ( -0.913 2.669 1.309) 3.110 11.042 ( 4.128 3.241 -5.280) 7.445 12.840 ( -4.964 -0.058 10.987) 12.057 14.326 ( 10.635 -0.132 -15.681) 18.948 15.371 ( 1.803 1.203 -0.239) 2.181 15.545 ( 0.163 -2.654 0.410) 2.690 15.748 ( -0.840 5.116 -4.477) 6.850 16.454 ( 7.269 4.630 1.199) 8.701 16.718 ( -2.025 -8.826 -2.545) 9.406 17.114 ( -2.069 2.300 -0.596) 3.150 18.373 ( -2.176 2.289 8.762) 9.314 18.999 ( 0.103 -2.892 -4.348) 5.223 23.143 ( -10.736 6.542 10.482) 16.368 24.095 ( 2.419 -5.451 -3.121) 6.731 29.075 ( 2.202 0.655 2.539) 3.425 29.489 ( -5.009 -0.269 -1.901) 5.364 29.875 ( 0.670 1.982 -0.366) 2.124 29.918 ( -0.985 1.697 -4.436) 4.851 30.370 ( -1.418 3.039 1.763) 3.789 30.813 ( 0.597 -5.646 -0.814) 5.736 31.720 ( 8.888 5.482 7.442) 12.823 33.925 ( -0.530 -3.935 -13.202) 13.786 ======================= Grid point 223 (102/227) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 7.945 17.538 -0.329) 19.256 2.484 ( -18.160 15.869 -12.334) 27.088 2.855 ( -0.518 15.748 6.180) 16.925 3.255 ( -11.566 10.609 35.781) 39.071 4.074 ( -10.527 8.692 -4.049) 14.240 4.699 ( -2.934 14.551 4.366) 15.473 5.357 ( -3.244 6.880 10.219) 12.739 5.568 ( 1.841 6.753 8.510) 11.018 5.744 ( 3.617 0.999 -5.225) 6.433 6.139 ( -6.869 -3.407 2.738) 8.142 6.873 ( 7.417 -2.304 1.789) 7.970 7.127 ( 12.461 0.792 -13.544) 18.421 7.686 ( 0.579 -2.262 -0.369) 2.363 7.868 ( 1.678 -3.175 0.353) 3.609 8.067 ( -3.722 -8.929 -1.540) 9.796 8.894 ( -7.263 -3.341 0.933) 8.049 9.092 ( 4.398 -0.636 2.053) 4.896 9.850 ( 2.057 -6.811 -6.170) 9.417 10.314 ( 0.002 1.474 4.799) 5.021 10.576 ( -0.465 -0.314 -6.935) 6.958 10.772 ( -1.238 -2.838 3.305) 4.529 10.994 ( 1.256 3.677 -7.610) 8.545 12.831 ( -5.929 1.628 11.079) 12.671 14.363 ( 11.028 1.159 -16.575) 19.942 15.392 ( 2.888 1.184 -0.078) 3.122 15.591 ( 1.522 -3.817 -0.803) 4.187 15.681 ( 0.524 1.660 -1.799) 2.503 16.512 ( 7.771 4.613 -0.902) 9.082 16.778 ( -0.733 -5.926 -0.984) 6.052 17.017 ( -5.527 2.780 -1.527) 6.372 18.378 ( -3.697 1.116 10.271) 10.973 18.976 ( -0.594 0.180 -4.999) 5.037 22.990 ( -9.973 4.943 9.958) 14.935 24.193 ( 1.403 -8.390 -0.747) 8.539 29.113 ( 3.153 3.129 3.427) 5.610 29.445 ( -3.969 -3.697 0.574) 5.454 29.769 ( -2.294 3.791 -6.015) 7.470 29.927 ( 0.810 -2.319 0.657) 2.543 30.367 ( 2.309 4.214 4.405) 6.519 30.832 ( -0.768 0.363 -2.053) 2.222 31.825 ( 7.065 3.319 4.455) 8.988 33.832 ( -2.942 -0.253 -14.151) 14.456 ======================= Grid point 224 (103/227) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -20.493 16.118 -0.732) 26.082 2.273 ( 2.389 27.511 9.701) 29.269 2.748 ( 1.172 13.867 12.721) 18.854 3.139 ( -13.505 20.318 31.461) 39.812 3.805 ( -8.196 5.797 -2.201) 10.277 4.488 ( -4.604 15.097 5.423) 16.689 5.066 ( -15.682 18.755 8.013) 25.727 5.517 ( -1.431 10.479 -5.353) 11.853 5.834 ( 7.276 3.321 4.721) 9.287 6.113 ( -7.948 -8.211 8.257) 14.098 6.972 ( 6.601 -3.134 -13.252) 15.133 7.281 ( 17.388 0.212 -2.939) 17.635 7.695 ( -1.217 -3.485 -5.835) 6.904 7.909 ( -0.345 -2.963 -5.139) 5.942 8.186 ( -0.140 -14.485 2.525) 14.704 8.920 ( -1.219 -6.038 6.877) 9.232 9.182 ( 4.258 0.021 5.324) 6.817 9.895 ( 2.404 -3.102 -10.104) 10.839 10.291 ( -3.425 2.604 0.884) 4.392 10.532 ( 1.426 0.287 -2.249) 2.679 10.825 ( -0.870 -2.661 -0.492) 2.842 10.915 ( 0.071 -0.478 -3.912) 3.941 12.785 ( -6.567 3.537 10.743) 13.078 14.376 ( 11.527 3.111 -19.931) 23.234 15.414 ( 2.621 1.967 -0.124) 3.280 15.681 ( 1.153 -0.757 -0.908) 1.652 15.701 ( 4.838 -6.462 0.786) 8.111 16.547 ( 6.215 4.762 -2.150) 8.120 16.796 ( -0.166 3.200 -3.235) 4.553 16.890 ( -8.119 -2.746 0.743) 8.603 18.376 ( -5.010 1.050 9.651) 10.924 18.911 ( -0.880 2.495 -5.144) 5.785 22.884 ( -7.915 3.083 11.913) 14.631 24.336 ( -0.775 -13.783 1.337) 13.870 29.145 ( 4.031 4.093 3.040) 6.500 29.444 ( -3.510 -2.434 2.344) 4.872 29.674 ( 1.392 4.260 -4.740) 6.523 30.011 ( -0.420 -8.701 4.564) 9.834 30.360 ( 0.658 4.942 1.091) 5.103 30.766 ( -2.893 3.667 -0.307) 4.681 31.930 ( 10.327 2.696 1.817) 10.826 33.625 ( -4.647 7.290 -16.160) 18.327 ======================= Grid point 225 (104/227) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -0.950 14.943 22.659) 27.159 2.004 ( -0.153 32.771 17.447) 37.126 2.720 ( 7.807 17.581 14.882) 24.321 2.830 ( -22.193 23.281 37.777) 49.615 3.673 ( 0.359 4.358 -4.224) 6.080 4.266 ( -9.128 12.739 6.822) 17.092 4.718 ( -9.686 12.970 9.822) 18.934 5.187 ( -10.856 16.049 -11.398) 22.480 5.894 ( 4.627 1.935 1.144) 5.144 6.224 ( -6.978 -10.944 11.348) 17.241 6.965 ( -0.738 -4.463 -17.052) 17.642 7.473 ( 12.280 0.090 -12.447) 17.486 7.710 ( 2.198 -5.208 -2.897) 6.352 7.806 ( -3.692 6.099 -10.388) 12.599 8.478 ( 7.641 -18.326 9.280) 21.917 9.049 ( 1.272 -3.823 7.439) 8.461 9.336 ( 5.834 -5.393 11.301) 13.814 9.831 ( 2.206 2.693 -13.282) 13.731 10.245 ( -0.173 -0.754 2.960) 3.059 10.560 ( -1.031 -3.463 0.038) 3.614 10.791 ( 2.255 4.793 0.393) 5.311 10.988 ( 2.191 -6.685 -0.074) 7.035 12.714 ( -6.404 4.435 10.571) 13.131 14.324 ( 10.311 6.277 -23.944) 26.815 15.420 ( 1.889 2.566 0.602) 3.242 15.692 ( 1.072 -0.481 -3.301) 3.504 15.884 ( 5.230 -6.999 2.096) 8.985 16.544 ( 2.148 4.281 -0.850) 4.864 16.666 ( -2.758 5.468 -2.571) 6.642 16.855 ( -3.997 -2.654 -1.269) 4.963 18.332 ( -6.130 2.439 6.834) 9.499 18.819 ( -0.677 4.552 -4.939) 6.751 22.862 ( -4.815 1.276 15.708) 16.479 24.510 ( -6.052 -20.217 -0.412) 21.108 29.160 ( 1.961 4.214 1.627) 4.924 29.441 ( -1.262 -0.243 3.276) 3.519 29.611 ( 1.582 5.865 -4.349) 7.471 30.127 ( -6.895 -6.230 -2.928) 9.743 30.309 ( -1.495 -2.978 5.359) 6.311 30.703 ( 1.067 2.802 2.818) 4.114 32.128 ( 15.940 0.680 5.593) 16.906 33.317 ( 2.012 16.677 -15.997) 23.196 ======================= Grid point 226 (105/227) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -1.828 25.401 24.794) 35.543 1.920 ( 20.801 21.895 31.720) 43.798 2.618 ( -9.627 8.925 40.617) 42.686 2.804 ( 13.724 17.002 23.288) 31.933 3.612 ( 2.530 3.596 -5.892) 7.352 4.018 ( -11.047 9.493 5.227) 15.475 4.615 ( -3.073 6.044 4.633) 8.211 4.730 ( -11.387 12.460 -4.691) 17.519 5.965 ( 3.736 -2.820 -0.946) 4.775 6.268 ( -9.948 -7.144 5.423) 13.395 6.749 ( -14.418 3.013 -13.952) 20.289 7.425 ( 2.852 6.744 -20.891) 22.137 7.613 ( 0.747 1.774 -7.826) 8.059 7.800 ( 2.476 -2.705 -4.435) 5.755 8.891 ( 9.426 -11.454 5.509) 15.824 9.110 ( -2.710 1.174 5.334) 6.097 9.703 ( 7.422 -25.508 11.026) 28.763 9.812 ( 4.299 -2.341 -2.581) 5.534 10.341 ( 6.020 -3.461 0.197) 6.946 10.583 ( -0.667 -2.648 2.321) 3.583 10.806 ( 7.338 5.828 1.274) 9.457 11.101 ( 3.266 -4.832 -0.985) 5.915 12.652 ( -5.073 3.801 10.644) 12.388 14.181 ( 7.909 9.717 -23.876) 26.964 15.416 ( 0.519 2.379 1.726) 2.984 15.665 ( -0.888 0.914 -4.127) 4.319 15.991 ( -0.341 -0.854 2.444) 2.611 16.518 ( 1.800 1.577 -3.770) 4.466 16.571 ( -2.121 3.429 1.229) 4.216 16.823 ( 0.588 -0.522 -2.972) 3.074 18.258 ( -4.391 2.198 5.425) 7.317 18.718 ( 0.934 6.347 -4.307) 7.727 22.938 ( -1.738 -0.250 20.174) 20.250 24.576 ( -14.675 -17.385 -6.880) 23.768 29.113 ( -2.376 3.833 1.584) 4.779 29.462 ( 2.157 3.889 2.007) 4.879 29.494 ( -0.984 5.923 -3.496) 6.948 29.966 ( -6.410 0.255 -6.577) 9.187 30.408 ( -5.705 -6.342 8.396) 11.969 30.794 ( 6.696 -2.841 0.658) 7.303 32.318 ( -6.212 -1.550 9.227) 11.231 33.274 ( 36.752 10.340 -14.395) 40.803 ======================= Grid point 229 (106/227) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -0.202 0.000 -12.740) 12.742 3.169 ( 9.308 -0.000 11.906) 15.113 3.364 ( 31.419 -0.000 19.179) 36.810 3.399 ( -4.145 0.000 2.228) 4.706 3.705 ( 13.433 -0.000 -10.480) 17.038 4.488 ( 0.581 -0.000 12.954) 12.967 4.685 ( 24.052 -0.000 11.331) 26.588 5.350 ( 5.025 -0.000 10.512) 11.651 5.748 ( -2.693 0.000 1.641) 3.154 5.823 ( -3.073 0.000 -0.754) 3.164 6.740 ( -1.175 0.000 -11.476) 11.536 7.195 ( 3.900 -0.000 1.639) 4.230 7.438 ( -0.413 0.000 6.747) 6.760 7.579 ( 8.479 -0.000 -3.869) 9.320 8.719 ( -2.380 0.000 -0.592) 2.452 9.128 ( -17.193 0.000 -14.294) 22.359 9.514 ( 1.742 -0.000 -0.343) 1.776 9.611 ( -19.964 0.000 -9.327) 22.036 10.358 ( -0.786 0.000 -4.580) 4.647 10.581 ( -5.209 0.000 9.829) 11.124 10.780 ( 0.693 -0.000 7.807) 7.838 11.136 ( -0.324 0.000 -6.793) 6.801 12.767 ( -1.318 0.000 9.283) 9.376 14.151 ( 13.492 -0.000 -16.010) 20.937 15.422 ( -1.290 0.000 -2.049) 2.421 15.438 ( -0.263 0.000 4.150) 4.159 16.205 ( 2.304 -0.000 7.304) 7.658 16.319 ( 0.692 -0.000 -2.106) 2.217 16.578 ( -4.638 0.000 -8.241) 9.456 17.059 ( 5.185 -0.000 -0.098) 5.186 18.589 ( 3.375 -0.000 6.503) 7.327 18.607 ( 2.718 -0.000 -5.522) 6.155 23.485 ( -9.886 0.000 23.634) 25.618 23.980 ( 1.404 -0.000 -10.862) 10.952 29.083 ( -0.781 0.000 -3.532) 3.618 29.611 ( 8.275 -0.000 1.687) 8.445 29.857 ( 3.917 -0.000 -2.657) 4.733 29.907 ( 3.737 -0.000 6.672) 7.647 30.329 ( -2.115 0.000 6.898) 7.215 30.703 ( -11.805 0.000 -7.822) 14.161 31.752 ( 3.257 -0.000 4.514) 5.566 33.925 ( 3.255 -0.000 -20.804) 21.057 ======================= Grid point 230 (107/227) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 11.422 9.031 -7.596) 16.423 3.234 ( 10.020 4.438 -23.400) 25.839 3.428 ( -8.761 0.421 34.576) 35.671 3.652 ( 18.397 19.529 -0.095) 26.830 4.068 ( 19.294 -8.038 6.658) 21.936 4.604 ( -3.446 -12.101 8.092) 14.959 5.055 ( 12.344 -2.363 6.953) 14.363 5.430 ( 2.390 3.010 7.177) 8.142 5.745 ( 4.896 -0.098 -1.758) 5.203 5.848 ( -3.040 -8.354 1.627) 9.038 6.710 ( 6.338 1.146 -7.106) 9.591 7.093 ( -8.686 -0.535 -5.273) 10.175 7.549 ( 4.966 1.875 5.468) 7.621 7.715 ( 8.183 -2.284 1.337) 8.600 8.622 ( -17.900 8.992 -12.371) 23.544 8.756 ( -2.860 -3.461 -3.154) 5.487 9.305 ( -10.194 2.206 -2.326) 10.686 9.605 ( 1.545 -4.731 -0.719) 5.029 10.323 ( -1.603 -0.798 -1.839) 2.566 10.579 ( -2.956 2.759 9.983) 10.770 10.816 ( -3.568 -1.376 3.811) 5.399 11.104 ( 3.546 1.164 -3.926) 5.417 12.808 ( -2.449 -0.210 9.272) 9.592 14.240 ( 13.073 -0.682 -15.633) 20.390 15.397 ( 0.207 0.409 -1.508) 1.576 15.473 ( 0.333 -0.504 3.874) 3.921 16.104 ( -3.941 9.893 -6.504) 12.478 16.388 ( -1.458 -11.000 -2.249) 11.322 16.522 ( 3.496 2.861 -0.442) 4.539 17.125 ( 1.962 -0.940 1.598) 2.700 18.527 ( 1.390 7.762 1.365) 8.002 18.759 ( 1.894 -8.993 0.495) 9.204 23.439 ( -13.864 3.412 18.661) 23.496 23.953 ( 3.401 -2.107 -10.185) 10.943 29.049 ( 0.547 0.666 -2.804) 2.933 29.665 ( 0.352 2.400 -1.591) 2.901 29.896 ( 3.129 0.761 -1.681) 3.632 29.950 ( -3.531 -0.974 2.923) 4.686 30.450 ( 4.630 -5.581 7.221) 10.234 30.518 ( -4.435 0.123 -3.586) 5.704 31.838 ( 7.593 6.900 7.673) 12.812 33.831 ( 0.946 -4.079 -19.542) 19.986 ======================= Grid point 231 (108/227) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 15.782 14.988 -4.543) 22.234 3.107 ( -2.916 0.929 -19.627) 19.864 3.470 ( 0.866 15.388 16.824) 22.816 3.591 ( -1.498 14.702 10.070) 17.883 4.361 ( 8.830 1.935 7.340) 11.645 4.804 ( 7.444 -6.550 5.901) 11.539 5.171 ( -2.710 -2.372 6.840) 7.730 5.575 ( 10.503 0.086 6.333) 12.264 5.803 ( 1.865 -2.030 -3.409) 4.384 5.950 ( 0.778 -8.689 -0.096) 8.725 6.737 ( 4.993 3.418 -2.908) 6.714 7.023 ( 2.353 -4.080 -3.984) 6.169 7.600 ( 2.692 1.530 0.731) 3.182 7.839 ( 3.014 -1.360 0.474) 3.340 8.169 ( -16.301 4.736 -9.990) 19.696 8.769 ( -5.509 -8.312 -3.872) 10.697 9.174 ( -2.786 5.038 3.798) 6.897 9.671 ( 2.344 -2.621 -1.319) 3.756 10.309 ( -1.636 -2.643 -0.759) 3.200 10.553 ( -3.333 4.060 6.834) 8.620 10.788 ( -3.805 -2.144 0.351) 4.382 11.147 ( 7.127 4.186 -0.109) 8.266 12.834 ( -3.770 -0.324 9.970) 10.664 14.319 ( 11.705 -0.304 -15.153) 19.150 15.397 ( 2.049 0.695 -1.237) 2.492 15.508 ( 0.298 -0.255 2.728) 2.756 15.865 ( -6.437 4.255 -10.371) 12.926 16.478 ( 0.552 -8.559 -4.018) 9.471 16.569 ( 6.381 3.474 2.381) 7.645 17.148 ( -1.216 0.385 1.424) 1.912 18.473 ( -0.354 5.749 4.501) 7.310 18.872 ( 0.419 -7.018 -1.355) 7.160 23.285 ( -14.988 4.662 13.404) 20.641 23.977 ( 3.539 -3.911 -8.307) 9.840 29.054 ( 1.770 -1.432 -1.634) 2.802 29.565 ( -4.159 5.466 -1.262) 6.983 29.891 ( -5.709 -2.366 -1.402) 6.337 29.908 ( -0.820 -0.801 -2.652) 2.889 30.462 ( 3.320 4.051 2.934) 6.004 30.694 ( 8.322 -4.110 5.336) 10.706 31.907 ( 6.912 8.557 8.275) 13.764 33.775 ( -0.412 -7.069 -16.896) 18.320 ======================= Grid point 232 (109/227) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -17.814 6.248 -18.269) 26.271 2.838 ( 16.467 17.028 -3.314) 23.918 3.349 ( -9.171 18.561 24.705) 32.233 3.501 ( 5.449 11.032 8.850) 15.156 4.353 ( -2.507 13.123 3.258) 13.752 4.974 ( 5.322 7.434 3.980) 9.971 5.301 ( 5.152 -8.748 12.400) 16.026 5.714 ( 3.194 4.255 7.366) 9.086 5.789 ( 0.736 1.033 -5.633) 5.774 6.032 ( 0.119 -4.992 -3.849) 6.305 6.802 ( 7.709 -1.551 1.100) 7.940 7.137 ( 10.153 -1.223 -7.198) 12.506 7.624 ( 0.978 -1.516 0.022) 1.804 7.819 ( -4.663 -2.760 -3.523) 6.463 7.920 ( -9.385 -1.915 -5.796) 11.196 8.746 ( -9.328 -8.846 0.334) 12.860 9.145 ( 3.342 5.188 4.102) 7.411 9.726 ( 2.710 -2.719 -2.334) 4.493 10.324 ( -1.406 -3.362 -0.185) 3.649 10.499 ( -3.578 -0.173 0.821) 3.676 10.773 ( -1.657 -0.050 2.600) 3.083 11.163 ( 6.019 8.531 -2.718) 10.789 12.850 ( -4.507 -0.003 10.859) 11.757 14.375 ( 10.623 0.124 -14.975) 18.361 15.421 ( 3.582 1.018 -1.093) 3.881 15.523 ( -0.378 -1.233 -0.343) 1.335 15.702 ( -3.701 -0.291 -5.981) 7.039 16.560 ( 3.287 -5.448 -4.949) 8.061 16.646 ( 5.618 1.547 2.555) 6.363 17.093 ( -4.320 2.621 -0.234) 5.058 18.438 ( -2.383 3.913 7.799) 9.045 18.925 ( -0.240 -4.383 -3.190) 5.426 23.101 ( -14.022 3.970 11.055) 18.291 24.027 ( 2.943 -5.252 -6.832) 9.107 29.109 ( 2.530 -3.084 -0.192) 3.994 29.442 ( -3.902 3.903 1.790) 5.802 29.800 ( -4.609 -1.446 -5.600) 7.395 29.899 ( -1.062 -0.455 0.014) 1.156 30.504 ( 6.048 6.273 4.369) 9.748 30.846 ( 4.973 0.440 2.425) 5.550 31.957 ( 5.660 6.971 7.140) 11.472 33.734 ( -1.696 -6.623 -14.631) 16.150 ======================= Grid point 233 (110/227) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -16.100 12.874 -7.647) 21.987 2.826 ( 7.446 17.564 5.912) 19.972 3.166 ( -7.216 18.268 27.954) 34.164 3.574 ( 12.197 11.944 8.441) 19.044 4.064 ( -10.633 17.666 2.030) 20.719 4.869 ( -1.654 14.523 2.205) 14.782 5.458 ( -6.740 10.567 7.601) 14.658 5.684 ( 2.855 2.231 -0.912) 3.737 5.816 ( 1.520 -4.378 5.476) 7.174 6.023 ( 0.001 1.572 -3.361) 3.710 6.932 ( 6.351 -0.274 -8.638) 10.725 7.242 ( 11.960 -2.829 -5.004) 13.269 7.656 ( -2.873 -0.058 -2.626) 3.893 7.793 ( -2.080 -6.070 -3.304) 7.217 7.849 ( -3.060 -11.210 -0.464) 11.629 8.756 ( -5.367 -7.715 6.941) 11.684 9.186 ( 3.409 1.361 2.509) 4.446 9.787 ( 2.806 -3.815 -3.648) 5.978 10.324 ( -2.728 -1.215 -1.137) 3.195 10.476 ( -2.019 -4.722 -4.150) 6.602 10.775 ( -0.818 0.692 4.429) 4.557 11.080 ( 4.163 10.833 -5.279) 12.750 12.850 ( -5.129 1.546 10.909) 12.154 14.410 ( 9.606 0.323 -16.730) 19.294 15.456 ( 3.943 1.405 -1.077) 4.322 15.558 ( 1.832 -4.542 0.219) 4.902 15.662 ( -0.358 -1.384 -1.854) 2.341 16.632 ( 5.698 -0.842 -4.841) 7.525 16.723 ( 2.264 -1.492 1.879) 3.299 16.958 ( -6.881 4.201 -2.025) 8.313 18.413 ( -4.695 2.540 10.162) 11.479 18.932 ( 0.271 -1.458 -4.495) 4.733 22.952 ( -11.433 2.422 11.559) 16.438 24.092 ( 1.770 -6.876 -5.515) 8.991 29.189 ( 2.798 -1.925 1.604) 3.756 29.395 ( -1.885 0.523 4.343) 4.763 29.735 ( 0.296 -0.014 -5.159) 5.167 29.887 ( -2.593 -1.565 1.265) 3.283 30.517 ( 3.371 7.345 1.557) 8.230 30.864 ( 0.024 3.931 0.534) 3.967 32.023 ( 7.273 4.708 6.293) 10.709 33.661 ( -2.312 -2.794 -14.138) 14.596 ======================= Grid point 234 (111/227) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.267 15.003 11.176) 18.709 2.664 ( -10.772 20.552 24.987) 34.099 3.153 ( 12.100 17.353 16.217) 26.656 3.527 ( -4.814 29.370 20.866) 36.348 3.816 ( 5.241 6.501 -5.011) 9.739 4.631 ( -6.240 16.884 1.519) 18.064 5.109 ( -14.717 17.454 3.690) 23.127 5.550 ( -5.317 12.389 -10.902) 17.338 5.898 ( -8.860 -7.307 2.579) 11.770 6.064 ( 7.752 1.655 8.006) 11.267 6.884 ( 0.881 -1.243 -14.904) 14.982 7.432 ( 5.828 -3.009 -11.628) 13.351 7.570 ( 0.692 -5.231 -2.166) 5.704 7.848 ( -0.035 -1.844 -1.359) 2.291 8.058 ( 5.750 -15.420 7.546) 18.105 8.889 ( 0.079 -9.163 10.665) 14.061 9.233 ( 0.701 -1.755 1.894) 2.675 9.827 ( 1.852 -2.395 -7.548) 8.133 10.252 ( -4.871 0.198 -2.073) 5.298 10.488 ( 0.264 -4.818 -5.552) 7.355 10.802 ( -0.234 -1.545 3.825) 4.132 11.002 ( 5.986 7.883 -2.309) 10.164 12.816 ( -5.781 3.414 10.560) 12.514 14.398 ( 7.525 0.830 -19.983) 21.369 15.480 ( 3.040 2.158 -0.568) 3.771 15.649 ( -0.232 -3.035 -0.675) 3.118 15.735 ( 8.459 -4.741 2.227) 9.949 16.659 ( 2.601 4.054 -2.993) 5.671 16.762 ( -3.840 -2.460 0.064) 4.561 16.789 ( -2.569 3.030 -3.554) 5.330 18.376 ( -6.956 1.960 10.405) 12.669 18.910 ( 1.759 1.728 -5.049) 5.619 22.883 ( -7.749 0.530 14.081) 16.081 24.166 ( -0.291 -8.992 -4.557) 10.085 29.243 ( 1.703 1.573 2.819) 3.650 29.417 ( -0.658 -1.176 4.358) 4.562 29.727 ( 4.041 3.103 -3.570) 6.221 29.907 ( -2.819 -7.065 2.941) 8.155 30.431 ( -1.745 8.150 -2.153) 8.608 30.786 ( -2.383 3.848 -0.499) 4.553 32.157 ( 8.658 1.683 8.293) 12.107 33.536 ( 1.148 3.141 -15.571) 15.926 ======================= Grid point 235 (112/227) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 5.966 11.702 24.606) 27.892 2.482 ( -3.108 20.129 31.515) 37.524 3.168 ( -7.538 29.599 23.087) 38.288 3.284 ( 15.232 20.049 18.724) 31.378 3.811 ( 12.759 12.720 -8.994) 20.137 4.304 ( -13.030 13.990 4.497) 19.640 4.809 ( -5.444 10.210 5.716) 12.905 5.114 ( -14.201 16.445 -14.041) 25.870 5.877 ( -3.892 -4.502 -1.275) 6.086 6.174 ( -0.204 -1.103 4.579) 4.714 6.791 ( -3.145 1.146 -7.906) 8.585 7.372 ( -0.496 -6.106 -16.640) 17.732 7.687 ( -0.170 -3.618 -7.332) 8.178 7.784 ( 0.496 4.269 -2.109) 4.787 8.482 ( 11.059 -18.134 14.502) 25.719 9.085 ( 0.777 -5.910 10.630) 12.187 9.290 ( -2.492 -8.048 2.036) 8.668 9.791 ( 2.440 0.088 -10.758) 11.032 10.220 ( -1.672 -5.080 0.986) 5.438 10.522 ( 2.115 -3.371 -3.614) 5.376 10.855 ( 1.769 -1.839 1.472) 2.946 11.029 ( 6.082 1.586 -0.781) 6.334 12.758 ( -5.515 4.316 10.667) 12.760 14.325 ( 5.933 2.534 -21.911) 22.841 15.481 ( 1.086 2.608 0.396) 2.853 15.656 ( -0.408 -1.550 -3.198) 3.578 15.952 ( 8.009 -2.380 4.534) 9.506 16.558 ( -2.339 2.037 -4.168) 5.195 16.662 ( -5.184 3.122 -1.344) 6.199 16.807 ( 3.608 -0.642 -2.249) 4.300 18.310 ( -7.495 2.190 8.792) 11.759 18.873 ( 3.651 4.916 -4.942) 7.869 22.917 ( -4.053 -1.444 17.615) 18.133 24.227 ( -3.390 -10.161 -4.937) 11.794 29.227 ( -2.348 4.537 3.352) 6.110 29.457 ( 0.429 -0.987 3.700) 3.853 29.701 ( 4.056 6.602 -3.346) 8.440 29.949 ( -4.752 -2.959 -2.894) 6.302 30.318 ( -1.024 1.651 3.373) 3.892 30.747 ( 1.645 -0.884 -1.170) 2.204 32.286 ( -3.860 -0.883 10.451) 11.176 33.469 ( 16.608 5.266 -17.149) 24.447 ======================= Grid point 236 (113/227) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.387 17.687 24.572) 30.278 2.466 ( -8.140 11.357 33.331) 36.142 3.112 ( 19.636 13.515 25.552) 34.945 3.399 ( 13.532 18.781 14.936) 27.549 3.753 ( 12.246 13.599 -9.033) 20.408 4.017 ( -11.564 11.598 4.994) 17.122 4.570 ( -7.745 14.069 -14.089) 21.364 4.822 ( 0.335 4.299 13.311) 13.992 5.868 ( -4.499 -5.608 -2.748) 7.697 6.147 ( -4.045 -0.695 -4.836) 6.343 6.671 ( -0.658 8.816 4.582) 9.958 7.360 ( 3.805 -3.966 -14.678) 15.674 7.478 ( -11.044 2.104 -9.383) 14.644 7.789 ( 1.464 1.627 -5.169) 5.614 8.941 ( 8.388 -14.507 9.671) 19.348 9.132 ( -3.406 3.917 3.492) 6.256 9.401 ( -9.398 -21.372 3.107) 23.553 9.818 ( 4.988 -4.101 -3.316) 7.259 10.319 ( 1.608 -8.364 -0.102) 8.518 10.580 ( 2.141 -2.107 0.629) 3.069 10.917 ( 5.058 -0.731 -3.535) 6.214 11.095 ( 2.193 -2.950 -2.355) 4.366 12.712 ( -4.111 4.001 10.863) 12.285 14.207 ( 6.435 5.343 -21.131) 22.726 15.458 ( -0.694 2.418 1.482) 2.920 15.622 ( -1.746 0.595 -3.825) 4.246 16.012 ( -3.785 1.850 4.837) 6.415 16.498 ( -4.967 3.638 -3.265) 6.969 16.603 ( 7.728 -2.871 -3.643) 9.013 16.856 ( 4.787 1.077 -1.423) 5.109 18.254 ( -4.320 0.898 7.348) 8.571 18.826 ( 4.969 7.546 -4.689) 10.179 23.045 ( -1.781 -3.078 21.229) 21.525 24.228 ( -5.875 -7.751 -6.634) 11.773 29.122 ( -5.746 4.658 3.497) 8.182 29.504 ( 1.228 -0.331 1.842) 2.238 29.640 ( 6.139 10.818 -2.087) 12.612 29.861 ( -2.074 -0.755 -5.010) 5.474 30.367 ( -1.575 -1.566 7.361) 7.688 30.844 ( 6.802 -4.799 -1.887) 8.536 32.151 ( -20.767 0.439 5.917) 21.598 33.678 ( 27.589 -1.389 -16.537) 32.196 ======================= Grid point 240 (114/227) ======================= q-point: ( 0.30 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 20.585 -0.000 -7.220) 21.815 3.114 ( -4.014 0.000 -21.486) 21.858 3.534 ( -8.720 0.000 31.730) 32.906 3.896 ( 6.093 -0.000 -19.764) 20.682 4.529 ( -2.719 0.000 16.257) 16.482 4.546 ( 29.887 -0.000 18.105) 34.943 5.135 ( -4.438 0.000 5.352) 6.953 5.587 ( 11.509 -0.000 4.934) 12.523 5.740 ( -2.002 0.000 -1.818) 2.704 5.840 ( 7.877 -0.000 -3.542) 8.637 6.828 ( 12.382 -0.000 -3.808) 12.954 6.927 ( -6.346 0.000 -4.613) 7.846 7.642 ( 1.161 -0.000 3.579) 3.763 7.802 ( 5.344 -0.000 -2.560) 5.926 8.263 ( -21.801 0.000 -14.907) 26.411 8.628 ( -7.724 0.000 -2.130) 8.012 9.251 ( -0.666 0.000 5.330) 5.372 9.639 ( 3.820 -0.000 0.626) 3.871 10.268 ( -3.469 0.000 -0.737) 3.547 10.667 ( 0.781 -0.000 10.406) 10.436 10.705 ( -8.764 0.000 -2.534) 9.123 11.204 ( 8.041 -0.000 3.360) 8.715 12.829 ( -3.521 0.000 9.169) 9.822 14.315 ( 12.263 -0.000 -15.090) 19.444 15.404 ( 1.958 -0.000 -1.552) 2.499 15.512 ( 0.971 -0.000 4.073) 4.187 15.930 ( -12.582 0.000 -15.350) 19.848 16.348 ( 4.789 -0.000 -1.107) 4.915 16.622 ( 5.921 -0.000 1.143) 6.030 17.147 ( -0.360 0.000 2.388) 2.416 18.605 ( 1.957 -0.000 -3.871) 4.337 18.721 ( -0.993 0.000 6.280) 6.358 23.348 ( -17.679 0.000 15.800) 23.710 23.924 ( 5.154 -0.000 -11.427) 12.536 29.034 ( 0.677 -0.000 -3.472) 3.537 29.675 ( -0.287 0.000 -2.454) 2.471 29.816 ( -10.777 0.000 -0.706) 10.801 29.897 ( -1.098 0.000 -0.972) 1.466 30.535 ( 5.148 -0.000 2.672) 5.800 30.624 ( 12.028 -0.000 7.971) 14.430 32.037 ( 4.425 -0.000 10.450) 11.348 33.667 ( 0.701 -0.000 -20.375) 20.387 ======================= Grid point 241 (115/227) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -14.759 0.238 -18.493) 23.662 3.242 ( 18.805 12.351 -6.348) 23.376 3.575 ( -15.798 2.314 28.584) 32.741 3.804 ( 9.687 8.414 -11.986) 17.559 4.610 ( 1.318 6.261 15.612) 16.872 5.043 ( 3.382 -8.298 17.227) 19.418 5.135 ( 12.643 5.116 2.640) 13.892 5.717 ( -2.628 -4.188 -1.155) 5.077 5.800 ( 11.598 1.487 3.737) 12.276 5.943 ( 10.242 -1.708 -8.274) 13.277 6.829 ( 2.383 2.827 -1.622) 4.038 7.043 ( 12.196 -4.907 -2.525) 13.386 7.642 ( -1.122 2.291 -3.428) 4.273 7.742 ( -9.649 -2.823 -11.991) 15.648 7.935 ( -8.972 1.612 -1.235) 9.199 8.534 ( -8.903 -6.206 1.302) 10.931 9.280 ( 0.959 3.926 5.656) 6.951 9.694 ( 3.148 -0.441 -0.730) 3.261 10.224 ( -3.430 -2.689 -1.108) 4.497 10.532 ( -8.182 1.049 -3.704) 9.043 10.762 ( 0.569 -0.434 8.261) 8.292 11.336 ( 8.115 4.292 3.881) 9.966 12.841 ( -4.364 -0.456 9.851) 10.784 14.377 ( 10.607 0.031 -14.717) 18.141 15.432 ( 3.311 0.032 -1.639) 3.695 15.539 ( -0.331 1.826 1.714) 2.527 15.665 ( -8.578 -2.138 -10.516) 13.739 16.431 ( 5.563 -3.030 -3.505) 7.239 16.707 ( 6.612 1.625 -0.155) 6.811 17.134 ( -3.159 0.748 1.376) 3.526 18.563 ( 0.158 5.623 1.417) 5.801 18.783 ( -1.701 -6.214 1.954) 6.732 23.173 ( -17.489 1.644 12.667) 21.657 23.936 ( 5.461 -1.985 -10.701) 12.177 29.037 ( 1.252 -1.817 -1.985) 2.968 29.580 ( -3.797 6.368 0.250) 7.418 29.724 ( -5.582 -4.548 -2.157) 7.517 29.878 ( -1.387 -0.966 -0.391) 1.735 30.634 ( 7.259 3.376 3.567) 8.765 30.846 ( 9.342 -0.306 4.925) 10.566 32.121 ( 1.141 4.763 11.048) 12.085 33.574 ( 1.657 -4.651 -18.299) 18.953 ======================= Grid point 242 (116/227) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -12.068 3.669 -8.366) 15.136 3.243 ( 8.381 16.438 -3.109) 18.712 3.497 ( -12.581 6.968 31.694) 34.804 3.812 ( 15.858 10.030 -6.076) 19.723 4.532 ( -7.663 15.712 11.463) 20.904 5.106 ( -3.405 0.100 3.759) 5.073 5.405 ( 9.056 -4.008 9.230) 13.538 5.709 ( -3.229 -0.762 -2.998) 4.471 5.903 ( 7.032 7.227 0.785) 10.114 6.055 ( 10.974 1.515 -5.768) 12.490 6.908 ( 7.674 -2.437 0.068) 8.052 7.207 ( 7.469 0.330 -10.176) 12.627 7.495 ( -6.373 -9.016 -1.759) 11.180 7.689 ( -1.559 -3.829 -4.619) 6.199 7.785 ( -5.917 3.830 -2.459) 7.465 8.546 ( -6.198 -8.379 7.255) 12.699 9.264 ( 0.376 4.278 2.859) 5.160 9.733 ( 2.603 -0.904 -2.016) 3.414 10.217 ( -2.678 -5.189 -2.522) 6.361 10.399 ( -6.491 -2.168 -4.771) 8.343 10.810 ( -0.494 1.582 7.105) 7.296 11.355 ( 4.647 9.880 -1.049) 10.969 12.857 ( -4.584 -0.725 10.717) 11.679 14.411 ( 8.481 -0.081 -15.501) 17.669 15.464 ( 1.906 -1.396 -2.188) 3.220 15.498 ( 1.772 0.369 -1.372) 2.271 15.616 ( -1.324 -2.155 0.155) 2.534 16.531 ( 5.719 -3.829 -3.750) 7.838 16.771 ( 6.061 2.216 -1.929) 6.736 17.046 ( -6.241 2.757 -0.813) 6.871 18.507 ( -2.542 5.063 6.017) 8.265 18.839 ( -0.829 -5.754 -1.493) 6.002 23.001 ( -14.479 1.486 11.672) 18.657 23.972 ( 4.945 -3.138 -9.673) 11.308 29.094 ( 2.317 -3.869 0.954) 4.610 29.474 ( -2.692 4.749 3.356) 6.408 29.693 ( -1.647 -2.694 -3.229) 4.516 29.868 ( -1.779 -0.952 0.114) 2.021 30.690 ( 4.945 5.952 1.439) 7.871 30.945 ( 2.929 2.475 0.656) 3.890 32.147 ( 0.951 4.822 10.803) 11.868 33.550 ( 2.586 -5.063 -15.214) 16.241 ======================= Grid point 243 (117/227) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 5.257 11.282 6.322) 13.960 3.051 ( -13.760 13.450 17.979) 26.334 3.531 ( 7.352 11.404 18.106) 22.626 3.942 ( 19.136 7.426 -1.800) 20.605 4.212 ( -12.823 22.737 12.721) 29.039 5.006 ( -2.728 10.329 -1.464) 10.783 5.480 ( -8.806 8.131 -4.859) 12.933 5.626 ( -7.752 -8.691 4.963) 12.659 5.826 ( -0.137 11.651 -2.765) 11.975 6.146 ( 8.925 2.449 -3.229) 9.802 6.916 ( -0.526 2.890 -10.013) 10.435 7.310 ( 8.403 -6.887 -5.095) 12.000 7.513 ( -8.078 0.519 -6.469) 10.362 7.679 ( 5.802 -10.450 2.363) 12.184 7.816 ( 4.378 -4.134 5.399) 8.087 8.651 ( -2.360 -9.059 9.379) 13.252 9.241 ( -0.276 1.684 0.677) 1.836 9.766 ( 1.831 -2.015 -3.324) 4.297 10.210 ( -3.608 -3.811 -5.005) 7.252 10.332 ( -3.546 -5.984 -5.509) 8.873 10.818 ( -1.347 1.852 5.819) 6.254 11.249 ( 2.773 10.928 -4.088) 11.993 12.866 ( -5.179 0.585 10.750) 11.947 14.400 ( 5.976 -0.261 -17.440) 18.438 15.521 ( 3.738 1.091 -0.884) 3.993 15.566 ( 3.750 -2.955 3.002) 5.640 15.646 ( 3.522 -2.853 1.835) 4.890 16.631 ( 4.373 -3.617 -3.178) 6.504 16.793 ( 3.139 3.139 -3.101) 5.415 16.880 ( -7.773 3.673 -3.285) 9.203 18.447 ( -5.355 3.998 8.741) 11.003 18.883 ( 1.266 -3.865 -3.376) 5.286 22.893 ( -10.218 0.353 12.620) 16.242 24.016 ( 4.035 -3.896 -8.763) 10.404 29.205 ( 3.194 -3.798 3.977) 6.359 29.430 ( -1.586 2.295 4.498) 5.293 29.714 ( 3.128 -2.994 -2.338) 4.921 29.843 ( -2.773 -0.088 0.255) 2.786 30.641 ( 0.137 8.243 -1.548) 8.388 30.888 ( -2.869 4.266 -3.066) 5.986 32.206 ( 1.681 2.112 11.650) 11.958 33.541 ( 4.761 -1.753 -14.151) 15.033 ======================= Grid point 244 (118/227) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 7.015 16.508 16.863) 24.619 2.869 ( -8.065 10.426 26.007) 29.156 3.670 ( 14.742 12.788 14.454) 24.286 3.830 ( -12.498 22.224 15.007) 29.586 4.142 ( 19.221 11.199 4.755) 22.748 4.730 ( -7.606 18.807 -7.492) 21.626 5.104 ( -12.558 13.108 -2.429) 18.315 5.446 ( -16.695 8.222 -9.472) 20.881 5.741 ( -3.944 -4.299 1.129) 5.943 6.198 ( 4.733 2.293 -2.876) 5.994 6.831 ( 1.317 2.499 -3.532) 4.523 7.254 ( -5.129 -2.356 -12.921) 14.100 7.539 ( 2.434 -7.303 -3.816) 8.592 7.833 ( 1.541 -1.091 0.462) 1.944 8.116 ( 11.198 -11.244 13.849) 21.062 8.824 ( 0.132 -11.390 7.248) 13.502 9.231 ( 0.214 -0.197 0.517) 0.593 9.778 ( 1.056 -1.667 -6.227) 6.533 10.131 ( -5.505 -2.200 -4.325) 7.338 10.368 ( 1.067 -8.387 -5.634) 10.160 10.829 ( -0.098 0.352 4.896) 4.909 11.148 ( 2.774 7.020 -4.277) 8.675 12.844 ( -5.605 2.415 10.822) 12.425 14.350 ( 4.996 0.179 -18.454) 19.119 15.533 ( 0.633 1.537 -0.190) 1.673 15.611 ( 0.287 -1.657 -0.897) 1.906 15.878 ( 12.435 -3.525 7.634) 15.011 16.619 ( -5.857 2.249 -6.189) 8.813 16.702 ( -4.241 0.746 -2.264) 4.865 16.812 ( 4.691 1.077 -3.220) 5.791 18.376 ( -6.997 3.344 9.346) 12.144 18.922 ( 3.550 -1.077 -3.992) 5.450 22.878 ( -6.104 -1.466 14.592) 15.885 24.057 ( 2.796 -4.354 -8.084) 9.598 29.300 ( 1.413 0.897 4.662) 4.954 29.429 ( -1.536 -0.721 4.585) 4.889 29.797 ( -2.023 0.777 -0.582) 2.244 29.834 ( 7.061 -4.450 -0.253) 8.350 30.480 ( -3.801 9.384 -2.339) 10.391 30.762 ( -3.360 2.289 -4.472) 6.044 32.277 ( -4.044 0.053 12.218) 12.870 33.546 ( 11.204 1.379 -15.105) 18.857 ======================= Grid point 245 (119/227) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -9.998 9.008 27.804) 30.889 2.914 ( 3.718 17.227 19.920) 26.597 3.525 ( -5.233 19.163 14.627) 24.669 3.800 ( 7.246 13.969 16.248) 22.619 4.262 ( 19.220 20.810 -0.214) 28.329 4.299 ( -9.529 14.296 -5.501) 18.040 4.844 ( -6.597 7.454 -7.187) 12.277 5.015 ( -9.789 10.565 0.045) 14.403 5.736 ( -4.337 -5.099 -1.868) 6.950 6.182 ( 1.365 3.430 -3.963) 5.416 6.829 ( 3.018 3.829 3.189) 5.825 7.183 ( -1.135 -6.197 -7.448) 9.755 7.532 ( -6.011 -1.144 -9.820) 11.571 7.842 ( 2.570 1.995 -1.492) 3.579 8.466 ( -1.797 -17.042 13.131) 21.589 9.018 ( 1.400 -10.525 3.713) 11.248 9.259 ( 1.635 1.176 1.191) 2.340 9.766 ( 4.063 -0.898 -8.087) 9.095 10.103 ( -3.109 -7.314 0.450) 7.961 10.469 ( 4.083 -7.522 -5.019) 9.922 10.879 ( 1.613 -1.396 3.689) 4.261 11.087 ( 1.163 2.720 -5.149) 5.939 12.807 ( -5.057 3.425 11.261) 12.811 14.285 ( 5.943 1.548 -18.498) 19.491 15.506 ( -1.702 1.234 0.055) 2.103 15.620 ( 0.331 -0.418 -1.908) 1.981 16.059 ( -0.864 1.558 5.366) 5.654 16.530 ( 4.493 -2.494 -5.740) 7.704 16.576 ( -6.067 2.772 -2.945) 7.292 16.871 ( 5.278 0.011 -1.626) 5.523 18.302 ( -6.192 2.810 8.661) 11.012 18.951 ( 5.034 2.156 -4.067) 6.821 22.956 ( -3.392 -3.756 16.957) 17.696 24.084 ( 1.459 -4.021 -7.824) 8.917 29.260 ( -5.336 5.664 4.561) 9.019 29.473 ( 0.677 -1.938 3.574) 4.121 29.772 ( 0.193 -0.791 -1.436) 1.651 29.929 ( 4.774 5.111 -4.341) 8.231 30.374 ( 1.451 2.844 5.020) 5.949 30.708 ( 0.218 -4.222 -4.477) 6.158 32.195 ( -16.355 2.575 8.616) 18.664 33.655 ( 19.133 -0.529 -14.745) 24.161 ======================= Grid point 246 (120/227) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -5.328 2.611 29.359) 29.952 2.639 ( -14.370 19.191 13.759) 27.643 3.501 ( 1.361 5.442 8.761) 10.403 3.794 ( 3.773 9.574 11.375) 15.340 3.925 ( -16.764 11.791 -13.355) 24.463 4.260 ( 24.759 22.504 -0.995) 33.473 4.711 ( 7.957 9.634 6.530) 14.098 4.990 ( 4.152 3.999 11.848) 13.176 5.718 ( -2.699 -3.991 -4.132) 6.347 6.115 ( 0.570 4.720 -2.619) 5.428 6.875 ( 6.897 5.148 6.252) 10.638 7.222 ( -8.018 -3.591 2.773) 9.212 7.321 ( -0.111 1.462 -15.189) 15.260 7.795 ( -1.039 4.860 -5.122) 7.137 8.697 ( -13.800 -28.782 6.094) 32.496 9.138 ( -0.138 0.593 1.759) 1.862 9.211 ( -0.263 1.731 -3.607) 4.010 9.829 ( 5.037 -2.388 -1.959) 5.908 10.214 ( 0.206 -10.757 1.779) 10.905 10.583 ( 4.389 -4.427 -2.827) 6.845 10.949 ( 3.590 0.004 -1.729) 3.985 11.030 ( -2.678 -2.247 -4.231) 5.488 12.779 ( -4.057 3.433 11.299) 12.487 14.224 ( 7.914 3.438 -18.068) 20.022 15.461 ( -2.684 0.723 0.336) 2.800 15.593 ( -0.995 1.914 -1.998) 2.940 15.957 ( -8.181 0.664 0.692) 8.237 16.423 ( -7.427 0.815 0.760) 7.510 16.695 ( 12.062 -1.346 -4.668) 13.004 16.934 ( 5.170 0.145 -1.236) 5.317 18.263 ( -3.470 1.065 7.702) 8.515 18.954 ( 5.363 5.327 -4.099) 8.599 23.103 ( -2.849 -5.889 19.233) 20.315 24.083 ( 0.732 -2.420 -7.830) 8.228 29.119 ( -6.757 5.517 4.102) 9.639 29.534 ( 2.612 -1.143 1.201) 3.094 29.795 ( 1.047 -2.378 -3.539) 4.391 29.848 ( 3.313 9.021 -0.685) 9.635 30.432 ( 2.448 3.159 5.778) 7.025 30.843 ( 8.146 -10.417 -2.182) 13.403 31.868 ( -24.634 5.832 2.053) 25.398 33.867 ( 18.033 -3.277 -13.918) 23.014 ======================= Grid point 251 (121/227) ======================= q-point: ( 0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -10.639 0.000 -7.979) 13.299 3.499 ( 12.990 -0.000 -9.991) 16.388 3.559 ( -13.348 0.000 23.645) 27.153 3.966 ( 11.706 -0.000 -0.469) 11.716 4.770 ( -1.561 0.000 15.054) 15.135 4.926 ( -11.904 0.000 11.051) 16.243 5.516 ( 12.768 -0.000 3.019) 13.120 5.613 ( -3.453 0.000 -3.436) 4.872 5.984 ( 11.591 -0.000 -3.340) 12.063 6.119 ( 17.840 -0.000 -1.567) 17.908 6.860 ( 2.291 -0.000 -0.163) 2.296 7.199 ( 13.924 -0.000 -4.884) 14.756 7.395 ( -14.015 0.000 -9.087) 16.703 7.637 ( -0.718 0.000 -5.705) 5.750 7.848 ( -6.603 0.000 -0.518) 6.624 8.423 ( -4.640 0.000 7.433) 8.762 9.331 ( -2.012 0.000 3.394) 3.945 9.725 ( 2.364 -0.000 -1.873) 3.016 10.146 ( -3.125 0.000 -1.863) 3.638 10.367 ( -7.732 0.000 -6.735) 10.254 10.833 ( -0.530 0.000 8.607) 8.623 11.490 ( 4.409 -0.000 1.729) 4.736 12.842 ( -4.635 0.000 10.308) 11.302 14.410 ( 8.231 -0.000 -15.390) 17.453 15.444 ( -0.149 0.000 -3.232) 3.236 15.511 ( 1.621 -0.000 -3.074) 3.475 15.581 ( -0.263 0.000 2.850) 2.862 16.483 ( 7.393 -0.000 -4.843) 8.838 16.799 ( 5.839 -0.000 -2.519) 6.360 17.082 ( -5.623 0.000 -0.134) 5.625 18.627 ( 2.263 -0.000 -1.252) 2.587 18.707 ( -5.352 0.000 5.069) 7.372 23.020 ( -15.737 0.000 11.836) 19.691 23.934 ( 6.290 -0.000 -11.059) 12.722 29.043 ( 2.266 -0.000 0.800) 2.403 29.576 ( -5.979 0.000 2.685) 6.554 29.623 ( -0.040 0.000 -1.854) 1.854 29.849 ( -1.018 0.000 -0.727) 1.251 30.770 ( 5.367 -0.000 1.343) 5.532 30.977 ( 4.478 -0.000 0.817) 4.552 32.217 ( -3.293 0.000 13.235) 13.639 33.475 ( 6.023 -0.000 -16.642) 17.699 ======================= Grid point 253 (122/227) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 8.533 1.981 7.933) 11.818 3.402 ( -10.062 13.935 9.535) 19.656 3.631 ( 2.394 -3.114 8.646) 9.496 4.140 ( 15.903 6.314 4.192) 17.617 4.655 ( -10.979 13.767 11.026) 20.776 4.966 ( -7.909 -11.578 7.075) 15.706 5.494 ( -0.640 4.527 -2.106) 5.034 5.618 ( -1.755 -2.187 -6.862) 7.413 6.063 ( 2.100 3.070 -5.648) 6.763 6.258 ( 7.724 8.012 -2.689) 11.449 6.925 ( 0.823 -3.008 -0.615) 3.178 7.188 ( 2.829 -1.532 -6.301) 7.075 7.450 ( 9.464 -3.535 1.586) 10.226 7.570 ( -2.239 -0.772 -6.902) 7.297 7.763 ( -1.709 -0.231 2.795) 3.284 8.486 ( 0.253 -3.778 9.425) 10.157 9.284 ( -4.327 1.256 0.812) 4.578 9.734 ( 0.929 -0.631 -3.169) 3.362 10.109 ( -2.029 -2.921 -3.385) 4.909 10.236 ( -4.701 -1.977 -7.353) 8.949 10.859 ( -2.634 1.032 7.310) 7.838 11.468 ( -1.062 5.436 -3.431) 6.515 12.857 ( -4.494 -0.710 11.016) 11.919 14.396 ( 5.770 -0.071 -16.740) 17.706 15.509 ( 7.799 -1.020 5.050) 9.347 15.546 ( 3.557 0.367 -0.898) 3.687 15.593 ( -0.802 -1.300 1.945) 2.473 16.566 ( 7.258 -1.394 -5.094) 8.976 16.841 ( 3.922 0.869 -4.478) 6.016 16.956 ( -8.614 1.936 -2.692) 9.230 18.574 ( -3.184 6.254 4.521) 8.348 18.742 ( -0.455 -6.921 -0.112) 6.937 22.900 ( -11.571 0.174 11.807) 16.532 23.956 ( 6.153 -1.156 -10.582) 12.296 29.123 ( 4.313 -2.022 4.536) 6.578 29.502 ( -3.478 2.836 3.280) 5.559 29.642 ( 1.201 -2.529 -1.117) 3.015 29.831 ( -1.466 -0.623 -1.166) 1.974 30.796 ( 0.961 3.623 -1.305) 3.969 30.972 ( -1.782 2.026 -3.796) 4.657 32.249 ( -3.775 1.056 13.906) 14.448 33.493 ( 8.942 -1.432 -13.714) 16.434 ======================= Grid point 254 (123/227) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 21.822 9.593 13.473) 27.381 3.093 ( -17.258 13.355 15.867) 26.981 3.806 ( 5.740 -3.237 11.658) 13.392 4.299 ( 1.626 14.857 5.634) 15.972 4.399 ( 3.721 11.401 13.300) 17.909 4.966 ( -8.103 -2.903 -1.572) 8.749 5.365 ( -7.341 6.523 -9.825) 13.892 5.506 ( -6.195 2.755 -1.773) 7.008 5.823 ( -14.183 7.165 -6.194) 17.055 6.250 ( 4.854 2.154 -5.321) 7.518 6.904 ( -0.252 2.623 -0.255) 2.648 7.229 ( -1.270 -2.189 -8.709) 9.069 7.418 ( -2.041 0.152 -3.438) 4.001 7.735 ( 8.223 -5.960 0.819) 10.188 7.922 ( 12.385 -4.802 12.075) 17.952 8.620 ( 2.552 -4.884 5.475) 7.769 9.216 ( -4.342 -1.171 0.640) 4.543 9.725 ( -0.721 -2.010 -4.088) 4.612 10.086 ( -2.126 -2.156 -6.161) 6.865 10.183 ( -0.424 -5.193 -6.370) 8.230 10.852 ( -2.627 1.131 6.735) 7.317 11.328 ( -2.125 6.516 -5.177) 8.590 12.874 ( -4.803 0.209 11.295) 12.275 14.351 ( 5.119 0.072 -17.158) 17.906 15.556 ( -1.545 0.472 0.689) 1.757 15.589 ( 2.023 -0.155 -0.146) 2.034 15.792 ( 13.903 -3.136 10.234) 17.546 16.632 ( 3.030 -0.573 -6.628) 7.310 16.753 ( -9.208 2.830 -3.926) 10.402 16.836 ( 1.871 0.659 -5.109) 5.480 18.479 ( -5.489 5.042 6.525) 9.906 18.831 ( 2.514 -5.782 -1.666) 6.521 22.851 ( -7.284 -0.678 12.339) 14.345 23.987 ( 5.620 -1.675 -9.925) 11.528 29.270 ( 5.354 -2.294 6.937) 9.058 29.451 ( -3.032 2.162 3.693) 5.245 29.712 ( 3.148 -3.970 -0.580) 5.100 29.805 ( -0.577 -0.965 -1.739) 2.071 30.695 ( -3.447 6.964 -2.631) 8.204 30.844 ( -4.930 3.586 -5.772) 8.395 32.282 ( -4.848 0.239 13.577) 14.419 33.556 ( 11.075 -0.236 -12.971) 17.057 ======================= Grid point 255 (124/227) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -14.647 18.544 17.929) 29.662 3.165 ( 15.027 4.531 12.119) 19.829 3.919 ( -12.289 7.315 13.875) 19.925 4.103 ( 5.295 11.185 13.318) 18.180 4.538 ( 3.478 11.755 6.657) 13.950 4.768 ( -2.366 9.358 -6.660) 11.727 5.007 ( -9.026 9.415 -12.729) 18.224 5.255 ( -13.896 9.188 -1.710) 16.746 5.640 ( -3.615 -2.417 -0.062) 4.349 6.258 ( 3.172 1.082 -4.111) 5.303 6.892 ( 2.146 2.213 2.074) 3.715 7.121 ( -2.659 1.130 -5.821) 6.499 7.426 ( -1.473 -5.756 -3.548) 6.921 7.834 ( 0.784 -2.852 -2.034) 3.590 8.242 ( 4.679 -2.313 10.850) 12.041 8.770 ( 6.609 -8.442 -0.519) 10.734 9.232 ( 0.438 -3.661 4.671) 5.951 9.708 ( -0.799 -3.326 -5.267) 6.280 10.022 ( -1.601 -0.191 -4.788) 5.052 10.254 ( 3.419 -8.596 -5.485) 10.754 10.861 ( -1.234 0.133 5.890) 6.019 11.200 ( -0.357 5.349 -4.547) 7.029 12.871 ( -5.038 1.744 11.606) 12.772 14.305 ( 5.898 0.377 -16.943) 17.944 15.519 ( -2.986 0.096 -0.086) 2.988 15.615 ( 1.280 -0.001 0.006) 1.280 16.076 ( 7.042 -0.187 8.340) 10.917 16.496 ( -4.711 -0.272 -8.544) 9.760 16.642 ( -2.547 2.684 -3.723) 5.249 16.854 ( 3.896 -1.403 -3.032) 5.132 18.388 ( -5.684 4.155 7.219) 10.084 18.927 ( 4.147 -3.832 -2.302) 6.098 22.877 ( -4.348 -2.416 13.107) 14.019 24.017 ( 4.968 -1.691 -9.188) 10.581 29.385 ( -1.385 4.641 4.250) 6.444 29.415 ( 0.028 -2.511 5.724) 6.251 29.727 ( -1.905 -2.246 -3.676) 4.710 29.925 ( 9.163 -4.949 0.733) 10.439 30.523 ( -3.391 8.086 0.010) 8.768 30.693 ( -4.471 2.379 -5.334) 7.356 32.255 ( -10.542 2.053 11.208) 15.523 33.646 ( 14.067 -0.383 -13.487) 19.492 ======================= Grid point 256 (125/227) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -13.259 7.754 24.808) 29.178 3.200 ( -7.901 17.771 3.798) 19.816 3.685 ( -11.191 8.841 11.211) 18.141 4.012 ( -8.931 9.816 -1.041) 13.312 4.264 ( -8.246 14.917 -0.389) 17.049 4.733 ( 8.157 13.745 -8.905) 18.296 4.777 ( -0.545 -0.982 6.703) 6.796 5.134 ( 7.712 6.365 7.332) 12.400 5.651 ( 0.172 -1.351 0.662) 1.514 6.247 ( 1.862 3.822 -1.437) 4.487 6.923 ( 3.696 1.485 -0.966) 4.098 7.119 ( 2.365 -4.260 3.031) 5.738 7.380 ( -5.911 0.885 -5.343) 8.017 7.864 ( 1.688 -2.835 -3.238) 4.622 8.221 ( -13.723 -4.807 0.892) 14.568 8.998 ( 6.308 -8.285 1.925) 10.589 9.311 ( 0.633 1.918 2.048) 2.876 9.759 ( 6.294 -5.984 -4.736) 9.892 10.006 ( -0.463 -2.990 1.035) 3.198 10.397 ( 5.794 -9.433 -5.583) 12.398 10.894 ( -0.533 -1.857 3.960) 4.406 11.109 ( 0.524 5.733 -3.894) 6.950 12.855 ( -4.940 2.611 11.896) 13.143 14.275 ( 7.414 0.898 -16.660) 18.257 15.468 ( -3.461 0.003 -0.502) 3.498 15.624 ( 0.283 0.603 0.045) 0.668 16.000 ( -10.326 2.786 -3.774) 11.342 16.441 ( -7.101 0.124 -1.849) 7.339 16.660 ( 12.473 -0.981 -0.106) 12.512 16.912 ( 3.541 -1.765 -2.449) 4.653 18.319 ( -4.548 3.202 7.445) 9.293 19.005 ( 4.558 -1.152 -2.873) 5.510 22.965 ( -3.317 -4.857 14.122) 15.298 24.041 ( 4.403 -1.121 -8.231) 9.402 29.265 ( -8.095 5.399 4.205) 10.600 29.501 ( 3.093 -0.766 3.123) 4.462 29.722 ( 0.718 -3.515 -4.896) 6.070 30.029 ( 1.410 3.815 -1.766) 4.434 30.520 ( 7.190 2.944 7.041) 10.485 30.604 ( -1.074 -5.138 -3.908) 6.544 32.052 ( -17.725 7.608 5.894) 20.169 33.790 ( 15.301 -2.838 -12.897) 20.212 ======================= Grid point 257 (126/227) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -6.360 -2.851 26.291) 27.199 2.702 ( -17.050 19.722 0.871) 26.085 3.486 ( -19.258 1.999 6.573) 20.446 3.663 ( -10.173 9.766 -17.420) 22.412 4.099 ( 4.905 10.363 11.495) 16.235 4.761 ( 12.453 7.371 2.426) 14.673 4.874 ( 2.948 -2.951 5.612) 6.992 5.254 ( 8.987 7.671 8.935) 14.814 5.680 ( 3.210 0.221 -1.183) 3.429 6.200 ( 0.970 5.968 0.579) 6.074 6.956 ( -0.428 -2.634 -1.374) 3.001 7.190 ( -3.906 7.486 -6.334) 10.556 7.303 ( 8.037 -4.047 8.357) 12.281 7.812 ( -1.474 8.215 -6.273) 10.440 8.157 ( -14.793 -22.214 -0.203) 26.689 9.156 ( 1.931 -4.277 1.970) 5.089 9.208 ( -3.144 6.270 -4.362) 8.260 9.884 ( 5.954 0.094 -2.166) 6.336 10.113 ( 0.937 -9.215 3.882) 10.043 10.556 ( 6.092 -7.619 -5.404) 11.152 10.935 ( -2.496 -2.206 -0.114) 3.333 11.006 ( 1.092 5.759 -3.391) 6.772 12.835 ( -4.796 2.690 11.671) 12.902 14.259 ( 8.923 1.906 -16.675) 19.008 15.414 ( -3.312 -0.257 -0.518) 3.362 15.603 ( -0.768 2.429 -0.191) 2.555 15.820 ( -7.233 -1.880 -3.591) 8.291 16.328 ( -5.636 -0.538 0.285) 5.669 16.830 ( 7.272 1.891 -0.406) 7.525 16.980 ( 5.250 -3.069 -2.152) 6.451 18.287 ( -2.947 1.562 7.515) 8.222 19.041 ( 3.903 1.856 -3.534) 5.583 23.093 ( -4.105 -7.228 15.027) 17.173 24.056 ( 4.024 0.106 -6.788) 7.891 29.113 ( -6.780 4.710 3.939) 9.147 29.578 ( 4.397 -0.813 0.579) 4.509 29.737 ( 0.178 -2.533 -5.432) 5.996 29.954 ( -1.361 4.164 2.207) 4.905 30.517 ( -0.086 0.522 -2.351) 2.409 30.870 ( 13.886 -9.117 5.655) 17.548 31.646 ( -21.852 13.222 0.210) 25.541 33.951 ( 12.154 -3.526 -12.061) 17.482 ======================= Grid point 263 (127/227) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 21.379 -0.000 15.249) 26.260 3.530 ( -14.229 -0.001 31.210) 34.300 3.531 ( 0.905 0.001 -13.158) 13.189 4.485 ( 18.393 -0.000 10.399) 21.130 4.646 ( -13.867 -0.000 1.291) 13.927 4.794 ( -7.880 -0.000 9.615) 12.432 5.501 ( -1.106 -0.001 -1.223) 1.649 5.502 ( -3.385 0.001 -10.858) 11.373 5.920 ( -15.946 -0.000 -9.226) 18.423 6.298 ( -1.401 -0.000 -6.338) 6.491 6.930 ( -0.504 0.000 3.883) 3.916 7.183 ( 1.429 -0.000 -5.612) 5.791 7.473 ( -3.281 -0.000 -5.365) 6.289 7.622 ( 10.640 -0.000 0.311) 10.644 7.870 ( 13.606 -0.000 10.588) 17.240 8.565 ( 4.351 -0.000 5.718) 7.185 9.194 ( -7.802 -0.000 -0.059) 7.802 9.698 ( -1.204 0.000 -4.369) 4.532 10.042 ( -0.788 -0.000 -4.293) 4.365 10.131 ( -0.192 0.000 -8.337) 8.340 10.869 ( -3.714 -0.000 7.882) 8.713 11.416 ( -4.764 -0.000 -5.233) 7.077 12.873 ( -4.040 -0.000 11.633) 12.314 14.353 ( 5.325 -0.000 -17.060) 17.872 15.563 ( -2.789 -0.000 1.157) 3.020 15.589 ( 2.427 -0.000 -0.188) 2.434 15.747 ( 14.906 -0.000 11.428) 18.783 16.622 ( 6.173 -0.000 -6.731) 9.133 16.794 ( -10.716 -0.000 -4.763) 11.727 16.844 ( 0.894 -0.000 -5.835) 5.904 18.586 ( -6.074 -0.000 3.261) 6.894 18.709 ( 3.321 -0.000 1.101) 3.499 22.843 ( -7.664 -0.000 11.569) 13.877 23.967 ( 6.439 -0.000 -10.421) 12.250 29.236 ( 6.040 -0.000 7.823) 9.883 29.493 ( -2.306 0.000 2.650) 3.513 29.649 ( 2.128 -0.000 -0.027) 2.128 29.790 ( -1.569 -0.000 -2.933) 3.327 30.785 ( -3.304 -0.000 -2.531) 4.162 30.895 ( -5.054 -0.000 -5.836) 7.721 32.285 ( -5.255 -0.000 14.067) 15.016 33.550 ( 11.522 -0.000 -12.110) 16.716 ======================= Grid point 265 (128/227) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( -10.951 10.823 12.943) 20.114 3.260 ( 13.069 10.464 1.561) 16.815 3.774 ( -4.106 -14.705 18.174) 23.736 4.368 ( -11.856 7.690 -0.716) 14.150 4.762 ( -9.489 -3.068 2.987) 10.410 4.811 ( 16.623 7.234 14.041) 22.931 5.272 ( -8.199 7.273 -15.004) 18.581 5.456 ( -8.138 5.746 -0.291) 9.966 5.591 ( -12.388 -2.103 -2.229) 12.761 6.237 ( -1.003 -1.312 -4.543) 4.833 6.938 ( -1.230 1.054 4.839) 5.103 7.136 ( -2.270 -1.025 -6.130) 6.617 7.381 ( -2.129 1.996 -3.165) 4.305 7.744 ( 3.337 -3.180 -2.569) 5.277 8.239 ( 19.358 0.525 12.711) 23.164 8.639 ( 3.052 -2.345 -5.326) 6.571 9.122 ( -4.951 -3.537 5.573) 8.251 9.651 ( -1.645 -1.169 -4.261) 4.715 10.015 ( 0.482 -0.919 -5.204) 5.307 10.108 ( 3.244 -2.542 -7.756) 8.783 10.879 ( -2.388 0.784 9.237) 9.573 11.303 ( -2.933 2.384 -3.941) 5.461 12.896 ( -4.285 0.390 11.885) 12.640 14.311 ( 5.837 0.113 -17.037) 18.010 15.521 ( -3.509 0.093 0.463) 3.541 15.616 ( 1.015 0.022 0.645) 1.203 16.062 ( 13.515 -0.544 11.216) 17.571 16.503 ( -11.502 0.397 -11.775) 16.465 16.705 ( 2.227 2.109 -3.350) 4.542 16.810 ( 0.520 -1.718 -4.489) 4.834 18.497 ( -4.719 3.947 3.443) 7.051 18.804 ( 3.474 -4.665 0.819) 5.874 22.839 ( -4.774 -0.747 11.090) 12.097 23.992 ( 6.325 -0.467 -9.742) 11.625 29.366 ( 0.481 -1.191 7.447) 7.557 29.495 ( 3.423 3.980 3.542) 6.333 29.671 ( -1.900 -2.333 -3.638) 4.721 29.789 ( 3.956 -4.050 -1.007) 5.750 30.683 ( -4.553 3.749 -1.149) 6.009 30.761 ( -5.681 2.063 -4.360) 7.452 32.290 ( -7.218 0.751 12.485) 14.441 33.637 ( 11.915 -0.260 -12.603) 17.346 ======================= Grid point 266 (129/227) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -16.241 16.976 11.697) 26.244 3.404 ( 1.293 -0.474 0.954) 1.675 3.807 ( -17.771 1.987 9.415) 20.209 4.208 ( -9.797 -1.124 -3.266) 10.388 4.605 ( -6.383 10.358 6.127) 13.622 4.769 ( -7.507 10.308 0.696) 12.771 5.056 ( -3.565 10.369 -5.476) 12.256 5.269 ( 5.579 3.404 2.931) 7.163 5.603 ( -0.960 -3.561 6.226) 7.236 6.241 ( -0.630 -3.117 0.128) 3.183 6.971 ( 3.283 0.248 4.365) 5.467 7.062 ( -2.348 0.058 -5.943) 6.390 7.334 ( -2.157 -1.919 -1.187) 3.122 7.759 ( -2.058 -2.686 -4.224) 5.413 8.350 ( -0.192 9.473 -4.159) 10.348 8.788 ( 9.923 -8.011 1.058) 12.797 9.241 ( 3.627 -6.865 8.604) 11.589 9.626 ( 0.092 -2.479 -3.845) 4.576 10.005 ( 2.295 0.296 -3.321) 4.048 10.182 ( 5.359 -6.963 -6.245) 10.780 10.905 ( -0.779 2.350 9.077) 9.408 11.229 ( 0.443 3.323 -2.175) 3.996 12.903 ( -4.975 1.320 12.033) 13.087 14.281 ( 6.653 -0.174 -16.769) 18.042 15.468 ( -3.706 0.029 -0.114) 3.707 15.630 ( -0.035 0.008 1.368) 1.369 16.093 ( -10.491 4.693 -7.530) 13.740 16.388 ( -0.666 -4.480 -1.621) 4.811 16.683 ( 5.773 2.834 0.087) 6.432 16.854 ( 3.064 -2.889 -2.546) 4.921 18.412 ( -3.881 4.065 4.391) 7.132 18.920 ( 3.675 -4.849 -0.295) 6.092 22.876 ( -3.620 -2.373 10.753) 11.591 24.023 ( 6.147 -0.397 -8.569) 10.553 29.353 ( -6.702 1.771 3.797) 7.904 29.532 ( 4.040 3.027 2.651) 5.702 29.637 ( -0.367 -2.495 -5.247) 5.821 29.960 ( 5.375 -7.571 -0.127) 9.286 30.587 ( -1.137 4.618 2.900) 5.570 30.638 ( -2.747 2.903 -0.630) 4.046 32.205 ( -11.576 4.562 9.476) 15.640 33.731 ( 12.348 -1.853 -13.736) 18.563 ======================= Grid point 267 (130/227) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -10.223 6.792 16.655) 20.689 3.179 ( -19.962 14.464 -3.674) 24.924 3.511 ( -23.775 0.030 5.799) 24.472 3.903 ( -13.139 8.181 -10.456) 18.678 4.390 ( -6.061 12.490 7.147) 15.615 4.764 ( 0.271 -1.281 7.153) 7.272 4.884 ( 2.045 3.127 -1.306) 3.958 5.392 ( 7.813 3.095 5.149) 9.856 5.666 ( -1.159 -2.703 4.120) 5.062 6.272 ( -1.465 -1.034 3.816) 4.217 6.953 ( -1.978 2.311 -5.475) 6.264 7.118 ( 6.284 -6.301 -5.163) 10.288 7.335 ( -1.349 -0.170 7.315) 7.440 7.732 ( -4.861 -7.452 -2.677) 9.292 8.139 ( -0.539 13.360 -8.074) 15.619 8.987 ( 2.535 -6.714 3.405) 7.944 9.351 ( -0.355 3.013 0.210) 3.041 9.743 ( 8.593 -9.618 -1.620) 12.999 10.035 ( 3.520 0.830 1.415) 3.884 10.332 ( 6.622 -9.427 -5.960) 12.971 10.925 ( 0.333 3.037 6.589) 7.263 11.178 ( 1.152 5.940 -1.954) 6.358 12.891 ( -5.726 1.824 12.075) 13.488 14.273 ( 7.778 -0.598 -16.346) 18.112 15.412 ( -3.500 0.032 -0.467) 3.531 15.633 ( -0.775 0.312 1.448) 1.672 15.813 ( -10.425 1.081 -9.868) 14.395 16.330 ( -6.079 0.058 -1.858) 6.356 16.838 ( 10.652 -1.646 2.824) 11.142 16.904 ( 1.906 -1.756 -2.493) 3.596 18.350 ( -3.227 3.222 5.604) 7.225 19.015 ( 3.077 -3.375 -1.734) 4.885 22.943 ( -3.923 -4.737 10.903) 12.518 24.059 ( 5.988 0.189 -6.657) 8.956 29.217 ( -8.492 3.692 2.345) 9.552 29.585 ( 4.126 0.195 0.456) 4.156 29.648 ( 1.389 -3.105 -4.301) 5.483 30.019 ( -2.892 -0.674 -2.024) 3.594 30.511 ( -4.107 1.273 -0.960) 4.405 30.744 ( 12.044 -1.956 8.678) 14.973 31.959 ( -15.769 11.289 5.059) 20.043 33.850 ( 11.773 -4.290 -13.504) 18.422 ======================= Grid point 268 (131/227) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -6.746 -1.702 14.287) 15.891 2.653 ( -15.396 13.566 -0.167) 20.521 3.206 ( -19.618 0.812 2.005) 19.737 3.529 ( -15.827 5.714 -1.989) 16.944 4.320 ( 0.792 4.526 7.497) 8.793 4.753 ( -5.755 -4.712 0.609) 7.463 5.006 ( 6.743 -1.059 5.817) 8.968 5.465 ( 1.324 2.366 6.096) 6.672 5.715 ( 1.794 -2.820 -0.196) 3.348 6.261 ( -2.059 2.741 3.644) 5.003 6.858 ( -6.627 -2.350 -2.953) 7.626 7.136 ( 3.412 0.864 -15.397) 15.794 7.467 ( 3.041 -3.535 14.186) 14.933 7.805 ( -1.543 -13.082 1.030) 13.213 7.926 ( 3.814 16.217 -5.068) 17.413 9.095 ( -1.410 -6.812 1.385) 7.093 9.229 ( -2.449 8.268 -3.989) 9.502 9.940 ( 6.369 -3.440 -4.227) 8.382 10.107 ( 2.749 -1.060 5.748) 6.460 10.502 ( 6.190 -9.197 -6.076) 12.642 10.928 ( -0.384 3.579 2.429) 4.342 11.072 ( 0.119 7.806 -3.886) 8.720 12.867 ( -6.153 1.695 11.726) 13.350 14.283 ( 8.733 -0.136 -16.386) 18.568 15.363 ( -2.461 -0.246 -0.420) 2.509 15.618 ( -0.921 0.957 0.331) 1.369 15.666 ( -3.951 -3.233 -4.861) 7.049 16.259 ( -2.651 -1.147 0.722) 2.977 16.909 ( 0.540 1.214 -2.028) 2.424 17.010 ( 6.559 -3.031 -0.151) 7.227 18.320 ( -2.698 1.844 7.006) 7.731 19.061 ( 1.822 -1.122 -3.294) 3.928 23.029 ( -5.205 -7.010 11.136) 14.151 24.097 ( 5.535 1.415 -4.002) 6.975 29.084 ( -6.314 2.257 2.857) 7.288 29.641 ( 2.591 -0.872 -3.897) 4.760 29.681 ( 2.975 -1.230 -0.677) 3.290 29.945 ( -4.187 0.062 -0.064) 4.188 30.444 ( -3.578 -1.168 -1.787) 4.166 31.043 ( 12.153 -5.872 3.732) 14.004 31.568 ( -14.853 17.191 3.887) 23.050 33.969 ( 8.796 -4.420 -12.467) 15.885 ======================= Grid point 275 (132/227) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -12.389 0.000 -15.953) 20.198 3.211 ( -12.860 0.000 21.348) 24.922 3.858 ( 2.028 -0.000 16.663) 16.786 4.105 ( -18.771 0.000 -12.325) 22.456 4.726 ( -2.906 0.000 11.945) 12.293 5.034 ( -12.350 0.000 -14.293) 18.889 5.200 ( 12.390 -0.000 12.286) 17.449 5.288 ( -15.252 0.000 -2.831) 15.513 5.516 ( -1.937 0.000 6.836) 7.105 6.187 ( -1.616 0.000 0.891) 1.845 6.977 ( 1.229 -0.000 5.918) 6.044 7.038 ( -3.233 0.000 -6.680) 7.421 7.340 ( -2.686 0.000 -3.028) 4.048 7.725 ( -0.172 0.000 -4.526) 4.529 8.534 ( -1.082 0.000 -15.760) 15.797 8.644 ( 20.716 -0.000 9.713) 22.880 9.121 ( -0.582 0.000 10.907) 10.922 9.606 ( -0.049 0.000 -2.566) 2.566 9.999 ( 2.297 -0.000 -3.328) 4.044 10.096 ( 4.945 -0.000 -7.943) 9.357 10.950 ( 0.562 -0.000 12.718) 12.731 11.266 ( -0.753 0.000 -2.111) 2.242 12.919 ( -4.799 0.000 12.012) 12.935 14.277 ( 6.196 -0.000 -17.305) 18.381 15.469 ( -3.825 0.000 0.128) 3.827 15.629 ( -0.229 0.000 1.723) 1.738 16.195 ( -15.438 0.000 -14.923) 21.472 16.283 ( 5.992 -0.000 4.961) 7.779 16.764 ( 4.575 -0.000 -3.753) 5.918 16.778 ( 2.280 -0.000 0.837) 2.429 18.478 ( -3.406 0.000 1.218) 3.617 18.839 ( 3.412 -0.000 2.380) 4.160 22.847 ( -3.742 0.000 9.641) 10.342 24.019 ( 6.658 -0.000 -8.645) 10.911 29.374 ( -3.010 0.000 5.098) 5.920 29.551 ( -5.182 0.000 -7.583) 9.185 29.667 ( 7.452 -0.000 4.255) 8.581 29.808 ( 4.314 -0.000 -0.717) 4.373 30.662 ( -1.147 0.000 2.687) 2.922 30.673 ( -5.593 0.000 -0.486) 5.614 32.263 ( -8.998 0.000 10.884) 14.122 33.706 ( 11.001 -0.000 -14.331) 18.067 ======================= Grid point 276 (133/227) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -14.148 10.909 -4.017) 18.311 3.217 ( -17.780 -7.829 15.011) 24.551 3.634 ( -19.923 9.015 -7.237) 23.034 3.923 ( -14.115 -6.077 -1.565) 15.447 4.685 ( -8.849 11.083 -2.302) 14.368 4.849 ( 3.215 1.477 9.609) 10.239 4.999 ( -12.606 7.759 -1.469) 14.875 5.387 ( -1.131 -3.626 7.569) 8.468 5.548 ( -3.883 -4.614 5.113) 7.907 6.206 ( -2.117 -2.469 6.626) 7.381 6.963 ( -0.541 -1.704 -8.561) 8.746 7.049 ( 1.690 0.121 -1.271) 2.118 7.279 ( -1.411 -1.784 1.352) 2.646 7.672 ( -2.528 0.068 -4.454) 5.122 8.416 ( 6.307 6.180 -13.157) 15.845 8.932 ( 9.993 3.805 5.882) 12.204 9.270 ( 4.568 -8.781 6.559) 11.874 9.608 ( 2.334 -0.816 -1.407) 2.844 10.037 ( 4.243 -0.501 -0.431) 4.294 10.148 ( 5.396 -4.394 -5.803) 9.061 11.051 ( 3.377 5.092 13.069) 14.427 11.255 ( 1.166 0.426 -0.977) 1.580 12.922 ( -6.100 0.640 11.988) 13.466 14.249 ( 6.431 -0.841 -17.239) 18.418 15.414 ( -3.496 0.074 -0.159) 3.501 15.636 ( -0.892 0.079 2.415) 2.576 15.850 ( -13.629 1.300 -14.916) 20.247 16.310 ( -3.417 -1.241 -2.413) 4.363 16.798 ( 4.645 -0.720 -3.277) 5.730 16.886 ( 5.921 -0.334 5.227) 7.905 18.425 ( -2.790 2.221 1.467) 3.857 18.922 ( 2.811 -2.947 1.579) 4.368 22.866 ( -4.062 -1.548 8.762) 9.781 24.063 ( 6.950 0.110 -6.601) 9.586 29.316 ( -5.705 4.729 0.697) 7.443 29.468 ( -2.230 -6.321 -5.531) 8.690 29.716 ( 3.436 5.179 1.371) 6.365 29.915 ( 2.053 -5.963 -1.250) 6.429 30.584 ( -5.318 2.691 2.652) 6.524 30.725 ( 5.670 -0.139 6.536) 8.654 32.164 ( -10.983 4.740 9.395) 15.211 33.762 ( 10.283 -2.266 -16.724) 19.763 ======================= Grid point 277 (134/227) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -10.179 1.147 1.574) 10.363 2.994 ( -21.385 10.025 4.023) 23.958 3.231 ( -20.072 2.576 6.493) 21.253 3.651 ( -21.796 1.914 -4.069) 22.255 4.432 ( -7.559 5.375 -0.826) 9.312 4.727 ( -11.627 3.674 -0.406) 12.200 5.000 ( 4.804 0.996 11.599) 12.594 5.391 ( -13.738 -8.940 7.444) 18.002 5.612 ( 2.605 -3.844 0.578) 4.679 6.259 ( -2.909 -2.277 8.400) 9.176 6.842 ( -8.067 1.274 -9.674) 12.661 7.040 ( 3.796 -6.813 -12.577) 14.799 7.427 ( 6.613 -2.208 9.850) 12.068 7.613 ( -0.926 -1.176 -0.891) 1.742 8.353 ( 11.991 14.572 -10.225) 21.463 8.989 ( -0.517 1.076 5.448) 5.577 9.378 ( -0.604 2.369 -0.719) 2.549 9.752 ( 9.530 -9.077 -2.653) 13.426 10.119 ( 4.941 -0.040 2.581) 5.575 10.274 ( 5.209 -8.226 -3.812) 10.456 11.083 ( 2.972 8.765 6.471) 11.293 11.254 ( 1.871 5.040 0.116) 5.377 12.898 ( -7.440 0.829 11.820) 13.991 14.246 ( 7.109 -2.429 -16.688) 18.301 15.364 ( -2.638 0.186 -0.360) 2.669 15.576 ( -7.013 -1.257 -7.663) 10.464 15.659 ( -1.225 -0.307 -0.406) 1.326 16.242 ( -3.583 -0.556 -1.612) 3.968 16.847 ( 1.987 -3.772 -5.414) 6.891 17.006 ( 5.299 1.093 5.115) 7.445 18.373 ( -2.732 2.044 3.189) 4.670 18.999 ( 1.678 -3.055 -0.458) 3.516 22.894 ( -5.037 -3.802 8.748) 10.787 24.126 ( 7.192 0.874 -3.426) 8.014 29.155 ( -6.754 4.050 -1.164) 7.961 29.519 ( 0.636 -7.401 -3.805) 8.346 29.715 ( 2.517 2.656 1.056) 3.808 29.940 ( -2.526 -1.036 -1.958) 3.360 30.488 ( -5.121 3.744 3.441) 7.217 30.911 ( 8.390 -4.454 4.698) 10.597 31.952 ( -11.035 12.965 7.849) 18.748 33.832 ( 9.015 -5.919 -17.503) 20.559 ======================= Grid point 278 (135/227) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -18.947 -3.610 -2.193) 19.412 2.675 ( -4.971 9.985 3.179) 11.598 3.018 ( -13.646 -0.191 10.881) 17.454 3.271 ( -26.036 0.068 6.295) 26.786 4.305 ( -8.511 -1.569 1.126) 8.727 4.561 ( -10.977 -6.102 -2.342) 12.776 5.121 ( 1.498 -1.217 9.831) 10.019 5.375 ( -11.728 -10.166 9.426) 18.159 5.699 ( 3.200 -2.854 -1.564) 4.564 6.272 ( -2.885 1.099 4.116) 5.145 6.688 ( -7.040 -4.942 -1.755) 8.779 7.098 ( 8.571 -2.735 -17.469) 19.649 7.538 ( 1.475 0.523 9.822) 9.946 7.746 ( 6.120 -6.722 3.511) 9.745 8.240 ( 10.351 19.527 -6.627) 23.073 9.005 ( -3.245 -3.155 2.927) 5.390 9.265 ( -2.854 7.241 -3.152) 8.397 9.940 ( 6.336 -5.040 -6.149) 10.166 10.208 ( 3.869 1.155 4.769) 6.249 10.426 ( 3.921 -9.151 -3.439) 10.533 11.023 ( -0.226 8.541 0.152) 8.545 11.158 ( 0.972 10.514 -3.726) 11.197 12.860 ( -7.869 0.301 11.422) 13.873 14.272 ( 8.223 -2.673 -16.712) 18.816 15.337 ( -0.625 -0.046 0.283) 0.688 15.525 ( -0.482 -5.665 -3.099) 6.475 15.651 ( 0.198 1.562 0.481) 1.646 16.233 ( 0.771 -2.245 1.622) 2.875 16.866 ( -0.025 -3.289 -5.305) 6.242 17.077 ( 2.176 0.895 1.859) 2.999 18.346 ( -2.735 0.962 5.742) 6.433 19.032 ( 0.184 -1.875 -2.799) 3.373 22.936 ( -6.178 -5.942 9.066) 12.477 24.198 ( 6.728 2.798 0.331) 7.294 29.033 ( -4.743 0.980 0.963) 4.938 29.579 ( 0.556 -4.053 -4.044) 5.753 29.752 ( 2.046 -2.115 0.881) 3.072 29.874 ( -2.241 2.170 -1.159) 3.327 30.397 ( -4.783 2.646 2.859) 6.169 31.063 ( 0.900 -4.432 -4.883) 6.656 31.697 ( -3.831 15.801 9.763) 18.965 33.908 ( 5.997 -7.336 -16.358) 18.904 ======================= Grid point 286 (136/227) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -14.427 0.000 -12.346) 18.988 3.067 ( -19.845 0.000 27.714) 34.086 3.335 ( -16.806 0.000 -10.329) 19.726 3.634 ( -21.761 0.000 0.649) 21.771 4.517 ( -12.801 0.000 -11.575) 17.258 4.878 ( -12.942 0.000 2.077) 13.107 5.022 ( 4.020 -0.000 17.025) 17.493 5.169 ( -25.267 0.000 7.280) 26.295 5.563 ( 4.018 -0.000 1.070) 4.158 6.217 ( -3.020 0.000 11.330) 11.726 6.886 ( -13.431 0.000 -12.818) 18.566 6.920 ( 6.166 -0.000 -10.878) 12.505 7.378 ( 9.750 -0.000 8.192) 12.735 7.633 ( 0.613 -0.000 -3.279) 3.336 8.511 ( 11.756 -0.000 -9.747) 15.271 9.204 ( 12.183 -0.000 -1.562) 12.283 9.242 ( -0.657 0.000 4.994) 5.037 9.633 ( 3.070 -0.000 -1.071) 3.251 10.120 ( 5.938 -0.000 3.132) 6.713 10.155 ( 3.870 -0.000 -3.094) 4.954 11.249 ( 0.327 -0.000 -2.621) 2.642 11.284 ( 7.514 -0.000 13.955) 15.849 12.908 ( -7.947 0.000 11.747) 14.183 14.206 ( 5.789 -0.000 -17.504) 18.436 15.367 ( -2.626 0.000 -0.237) 2.637 15.570 ( -9.705 0.000 -12.912) 16.153 15.645 ( -0.767 0.000 2.932) 3.031 16.232 ( -2.963 0.000 -2.953) 4.184 16.796 ( 1.704 -0.000 -5.500) 5.758 17.021 ( 4.845 -0.000 6.258) 7.914 18.402 ( -2.780 0.000 0.100) 2.782 18.954 ( 1.995 -0.000 1.965) 2.800 22.847 ( -5.183 0.000 7.911) 9.458 24.137 ( 7.841 -0.000 -3.197) 8.467 29.258 ( -4.946 0.000 -10.231) 11.364 29.368 ( -1.610 0.000 4.597) 4.871 29.764 ( -2.014 0.000 0.368) 2.047 29.911 ( 3.319 -0.000 -1.201) 3.529 30.549 ( -5.600 0.000 4.917) 7.452 30.851 ( 5.560 -0.000 4.723) 7.295 32.130 ( -8.287 0.000 11.550) 14.215 33.743 ( 8.155 -0.000 -21.889) 23.359 ======================= Grid point 287 (137/227) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -19.780 -2.674 -6.562) 21.011 2.911 ( -16.018 6.401 12.008) 21.018 3.068 ( -12.496 3.303 2.855) 13.237 3.269 ( -30.945 -0.968 6.227) 31.581 4.257 ( -13.475 -2.402 -6.178) 15.017 4.580 ( -18.345 9.315 1.008) 20.600 4.937 ( -21.901 -15.484 3.854) 27.097 5.197 ( 0.575 -0.993 17.832) 17.869 5.642 ( 4.358 -1.476 0.560) 4.636 6.278 ( -0.684 -0.188 10.847) 10.870 6.586 ( -14.291 -2.683 -9.712) 17.486 6.993 ( 11.221 -3.065 -12.701) 17.223 7.598 ( 9.477 0.174 6.351) 11.410 7.644 ( 5.204 0.167 -0.041) 5.207 8.585 ( 11.059 5.157 -10.749) 16.262 9.109 ( -0.068 12.912 3.405) 13.354 9.363 ( -1.030 -1.332 -2.549) 3.055 9.738 ( 7.666 -9.088 -6.463) 13.532 10.196 ( 2.774 -1.200 0.848) 3.139 10.264 ( 5.319 -3.148 4.546) 7.673 11.197 ( -0.383 4.176 -3.139) 5.238 11.422 ( 5.679 7.993 4.364) 10.732 12.862 ( -9.365 -0.036 11.363) 14.725 14.183 ( 5.907 -3.242 -17.196) 18.469 15.340 ( -0.573 0.171 0.466) 0.759 15.425 ( -2.075 -2.137 -4.931) 5.761 15.660 ( -0.135 -0.404 2.176) 2.218 16.197 ( 0.074 -0.687 -1.091) 1.291 16.778 ( -0.325 -2.452 -6.401) 6.862 17.103 ( 1.599 0.703 4.119) 4.475 18.358 ( -3.119 0.075 1.021) 3.283 18.993 ( 0.926 -0.866 0.341) 1.313 22.833 ( -6.257 -2.234 8.269) 10.608 24.250 ( 9.018 1.186 1.770) 9.266 29.095 ( -4.350 3.321 -6.363) 8.393 29.426 ( -0.050 -5.976 1.583) 6.182 29.722 ( -3.752 -0.285 0.896) 3.868 29.939 ( 2.248 1.634 -0.527) 2.829 30.485 ( -5.567 2.942 5.114) 8.112 30.944 ( 1.654 -3.521 -0.853) 3.983 32.065 ( -4.250 10.695 12.724) 17.156 33.704 ( 5.044 -6.834 -26.204) 27.546 ======================= Grid point 288 (138/227) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -23.586 -6.809 -1.521) 24.596 2.657 ( -15.857 0.542 -11.060) 19.340 2.828 ( -11.830 3.439 -11.536) 16.878 2.966 ( -33.613 -3.021 47.845) 58.550 4.094 ( -13.837 -3.822 -0.457) 14.363 4.288 ( -12.496 -5.417 -1.178) 13.670 4.919 ( -15.745 -18.593 7.463) 25.482 5.319 ( -2.167 -1.214 15.866) 16.059 5.714 ( 3.438 -0.641 -2.073) 4.066 6.258 ( -4.728 1.439 0.144) 4.944 6.563 ( 2.613 -8.377 8.457) 12.187 7.098 ( 12.286 -1.386 -16.884) 20.926 7.677 ( 5.750 3.155 3.800) 7.580 7.826 ( 8.145 -2.869 3.067) 9.164 8.518 ( 6.970 13.593 -12.500) 19.739 9.005 ( -2.921 5.578 7.017) 9.428 9.258 ( -4.775 4.489 -4.028) 7.692 9.900 ( 6.441 -8.140 -11.091) 15.191 10.259 ( 0.636 -3.284 1.213) 3.558 10.405 ( 3.780 -2.000 5.855) 7.250 11.092 ( -1.047 7.028 -3.829) 8.072 11.290 ( -1.304 14.831 -7.462) 16.653 12.808 ( -9.374 -1.005 10.987) 14.477 14.216 ( 7.947 -5.737 -17.721) 20.252 15.342 ( 0.178 -0.133 0.574) 0.615 15.495 ( 5.733 -3.354 3.571) 7.541 15.680 ( 1.511 0.431 0.400) 1.621 16.250 ( 3.959 -2.837 1.999) 5.265 16.761 ( -1.426 -4.967 -6.570) 8.359 17.109 ( -1.802 1.612 1.667) 2.937 18.336 ( -2.985 -1.434 3.612) 4.900 18.996 ( -0.720 -0.125 -2.196) 2.314 22.841 ( -6.786 -4.400 9.154) 12.215 24.385 ( 9.367 5.163 6.771) 12.659 28.989 ( -2.267 0.486 -1.311) 2.664 29.514 ( 1.308 -5.644 -1.198) 5.916 29.669 ( -6.184 -1.993 0.363) 6.507 29.952 ( 3.898 3.222 2.142) 5.492 30.395 ( -4.986 3.970 4.488) 7.795 30.952 ( -2.787 -2.671 -6.701) 7.733 31.925 ( -1.528 15.890 8.541) 18.105 33.693 ( 1.006 -13.874 -25.011) 28.619 ======================= Grid point 297 (139/227) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -26.400 0.000 -1.563) 26.446 2.612 ( -27.455 0.000 -18.336) 33.015 2.936 ( -37.391 0.000 46.682) 59.811 2.945 ( -10.274 0.000 -4.392) 11.173 4.016 ( -9.436 0.000 -2.153) 9.679 4.323 ( -27.690 0.000 -1.580) 27.735 4.568 ( -12.242 0.000 8.589) 14.954 5.313 ( -3.343 0.000 17.199) 17.521 5.705 ( 4.703 -0.000 -0.453) 4.725 6.296 ( -10.287 0.000 -6.059) 11.939 6.422 ( 7.198 -0.000 13.712) 15.486 7.076 ( 13.640 -0.000 -12.830) 18.726 7.726 ( 6.294 -0.000 -0.828) 6.348 7.785 ( 9.514 -0.000 2.915) 9.951 8.663 ( 6.141 -0.000 -10.174) 11.883 9.219 ( -3.438 0.000 0.636) 3.496 9.294 ( -1.963 0.000 -5.237) 5.592 9.697 ( 5.672 -0.000 -10.533) 11.964 10.216 ( 0.278 -0.000 3.160) 3.172 10.384 ( 5.461 -0.000 7.685) 9.428 11.183 ( -0.444 0.000 -4.521) 4.543 11.536 ( 1.022 -0.000 -7.613) 7.682 12.793 ( -10.366 0.000 10.925) 15.060 14.112 ( 4.976 -0.000 -17.184) 17.890 15.338 ( -0.628 0.000 -0.113) 0.638 15.458 ( 8.401 -0.000 6.678) 10.732 15.671 ( 0.213 -0.000 1.663) 1.677 16.217 ( 3.992 -0.000 -0.345) 4.007 16.688 ( -3.175 0.000 -6.547) 7.276 17.129 ( -1.735 0.000 2.345) 2.917 18.309 ( -3.764 0.000 0.601) 3.812 19.000 ( 0.329 -0.000 -0.896) 0.954 22.783 ( -6.949 0.000 9.369) 11.665 24.456 ( 12.890 -0.000 8.932) 15.682 29.013 ( -2.109 0.000 -7.478) 7.770 29.409 ( -0.443 0.000 4.651) 4.672 29.654 ( -5.922 0.000 1.352) 6.075 29.994 ( 3.219 -0.000 1.380) 3.502 30.460 ( -5.271 0.000 4.887) 7.188 30.899 ( -1.292 0.000 -4.000) 4.203 32.220 ( -0.559 0.000 15.945) 15.955 33.433 ( -3.125 0.000 -38.878) 39.003 ======================= Grid point 298 (140/227) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -26.537 -5.695 5.949) 27.785 2.053 ( -35.466 -8.697 -13.456) 38.917 2.665 ( -17.912 3.234 -1.714) 18.282 2.764 ( -35.642 -4.341 48.097) 60.021 3.889 ( -11.856 3.003 0.532) 12.242 4.057 ( -7.679 -8.813 2.289) 11.911 4.560 ( -11.679 -12.540 10.646) 20.173 5.314 ( -10.800 -1.786 9.436) 14.452 5.745 ( 3.171 0.472 -3.120) 4.474 6.258 ( 4.989 1.596 8.494) 9.980 6.712 ( 14.590 -4.749 12.669) 19.898 7.169 ( 12.790 1.097 -15.800) 20.357 7.792 ( 4.379 1.250 -1.654) 4.845 7.906 ( 4.582 -2.118 -3.820) 6.330 8.607 ( 2.293 6.204 -10.654) 12.540 9.112 ( -3.790 7.572 7.643) 11.407 9.179 ( -5.876 1.337 -5.531) 8.180 9.765 ( 4.777 -9.901 -13.955) 17.765 10.245 ( -0.816 -0.293 4.552) 4.634 10.511 ( 3.458 -0.160 8.379) 9.066 11.126 ( 0.266 4.443 -4.391) 6.253 11.305 ( -8.558 11.451 -16.771) 22.037 12.727 ( -9.907 -1.266 10.704) 14.639 14.113 ( 6.962 -7.222 -18.132) 20.722 15.339 ( 0.101 -0.688 0.448) 0.827 15.657 ( 4.945 2.562 5.571) 7.877 15.733 ( 9.236 -1.302 5.889) 11.031 16.309 ( 6.369 -1.796 1.277) 6.740 16.613 ( -3.984 -4.938 -5.779) 8.582 17.085 ( -4.663 1.079 0.304) 4.796 18.278 ( -3.457 -2.937 2.065) 4.984 18.970 ( -1.619 1.306 -3.790) 4.324 22.771 ( -6.540 -2.346 11.239) 13.213 24.727 ( 16.884 8.180 13.116) 22.892 28.964 ( 0.962 -0.566 -1.818) 2.133 29.465 ( 0.248 -4.595 2.402) 5.191 29.566 ( -7.048 0.146 1.034) 7.125 30.071 ( 5.852 0.887 4.948) 7.715 30.405 ( -4.054 2.986 4.944) 7.056 30.851 ( -1.819 -0.053 -5.596) 5.884 32.155 ( -4.151 20.102 5.338) 21.209 33.176 ( -10.802 -25.217 -35.636) 44.972 ======================= Grid point 308 (141/227) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -25.158 0.000 17.458) 30.622 1.398 ( -34.639 0.000 6.629) 35.267 2.386 ( -18.748 0.000 4.631) 19.311 2.558 ( -33.862 0.000 49.499) 59.973 3.758 ( -11.105 0.000 1.907) 11.268 3.953 ( -0.486 0.000 2.980) 3.019 4.450 ( -6.559 0.000 13.992) 15.453 5.106 ( -16.920 0.000 -1.619) 16.997 5.786 ( 4.108 -0.000 -0.011) 4.108 6.620 ( 25.195 -0.000 11.963) 27.891 6.950 ( 9.562 -0.000 7.350) 12.060 7.244 ( 11.181 -0.000 -16.531) 19.957 7.759 ( -11.286 0.000 -19.547) 22.571 7.811 ( 1.046 -0.000 -4.452) 4.574 8.715 ( 13.256 -0.000 12.113) 17.956 9.054 ( -5.023 0.000 -5.193) 7.225 9.148 ( -4.918 0.000 10.002) 11.146 9.688 ( 5.519 -0.000 -9.590) 11.065 10.288 ( 0.563 -0.000 6.554) 6.578 10.600 ( 0.651 -0.000 7.838) 7.865 11.057 ( -16.083 0.000 -17.578) 23.826 11.146 ( 1.779 -0.000 -3.375) 3.815 12.653 ( -8.996 0.000 10.650) 13.941 14.023 ( 5.993 -0.000 -17.051) 18.074 15.343 ( 0.381 -0.000 1.152) 1.214 15.689 ( 0.138 -0.000 -0.706) 0.719 15.999 ( 10.063 -0.000 8.954) 13.470 16.409 ( 7.653 -0.000 -0.229) 7.657 16.478 ( -3.621 0.000 -2.081) 4.176 17.002 ( -6.451 0.000 -2.024) 6.761 18.219 ( -3.285 0.000 2.467) 4.108 18.895 ( -4.875 0.000 -7.359) 8.828 22.763 ( -5.059 0.000 14.479) 15.337 25.190 ( 22.664 -0.000 1.969) 22.749 28.997 ( 4.560 -0.000 1.329) 4.750 29.447 ( -1.954 0.000 2.444) 3.129 29.475 ( -5.618 0.000 1.624) 5.848 30.192 ( 3.472 -0.000 -0.670) 3.536 30.478 ( 7.348 -0.000 11.962) 14.039 30.824 ( 1.239 -0.000 -3.895) 4.088 32.281 ( -28.071 0.000 -34.293) 44.317 32.399 ( -3.710 0.000 14.013) 14.496 ======================= Grid point 309 (142/227) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 5.249 -0.000 28.359) 28.841 2.187 ( 7.972 -0.000 14.557) 16.597 2.964 ( 17.206 -0.000 22.599) 28.403 3.233 ( 10.354 -0.000 14.474) 17.796 3.665 ( -10.692 0.000 -1.583) 10.808 3.762 ( -11.877 0.000 -9.181) 15.011 4.481 ( -18.383 0.000 15.948) 24.337 4.880 ( 3.497 -0.000 9.903) 10.503 5.985 ( 4.706 -0.000 -2.151) 5.174 6.296 ( -14.945 0.000 -17.046) 22.670 6.521 ( -6.842 0.000 4.331) 8.098 6.907 ( 5.300 -0.000 -16.351) 17.189 7.496 ( 8.690 -0.000 -2.284) 8.985 7.690 ( -4.726 0.000 -8.650) 9.857 9.003 ( 6.935 -0.000 0.693) 6.969 9.107 ( -6.949 0.000 -1.804) 7.179 9.934 ( 3.464 -0.000 7.298) 8.078 10.232 ( 22.513 -0.000 -6.030) 23.307 10.498 ( -8.304 0.000 3.992) 9.214 10.547 ( 4.162 -0.000 3.080) 5.178 10.870 ( -4.553 0.000 7.575) 8.838 11.098 ( 2.961 -0.000 -4.098) 5.056 12.858 ( -7.427 0.000 15.570) 17.251 13.604 ( 9.735 -0.000 -20.415) 22.617 15.442 ( 0.465 -0.000 3.439) 3.471 15.584 ( -1.771 0.000 -3.331) 3.773 16.065 ( -0.682 0.000 5.079) 5.125 16.358 ( -3.991 0.000 -7.790) 8.753 16.610 ( 2.328 -0.000 4.121) 4.733 16.760 ( 1.174 -0.000 -3.651) 3.835 18.320 ( 0.652 -0.000 5.626) 5.664 18.544 ( -1.629 0.000 -5.078) 5.333 23.418 ( 0.765 -0.000 26.628) 26.639 24.462 ( -10.847 0.000 -23.712) 26.075 29.097 ( 1.492 -0.000 2.457) 2.874 29.244 ( -3.221 0.000 -4.041) 5.168 29.586 ( -0.026 0.000 5.951) 5.951 29.838 ( -1.502 0.000 -6.461) 6.633 30.626 ( -6.892 0.000 5.713) 8.952 30.801 ( 4.236 -0.000 -3.198) 5.307 32.541 ( -18.768 0.000 10.877) 21.692 32.951 ( 39.687 -0.000 -8.622) 40.613 ======================= Grid point 310 (143/227) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 8.852 -4.388 17.953) 20.492 2.537 ( 19.460 -21.848 2.158) 29.337 3.269 ( -7.460 10.660 -6.892) 14.724 3.416 ( 20.565 2.308 13.572) 24.748 3.567 ( -9.177 -9.350 -9.771) 16.344 3.687 ( 8.161 -10.308 7.876) 15.326 4.454 ( -9.555 -4.741 27.473) 29.471 5.019 ( 6.370 -0.184 7.160) 9.585 5.936 ( -6.590 5.862 -3.660) 9.549 6.035 ( -3.643 -0.874 -4.828) 6.111 6.611 ( 5.703 -5.414 8.586) 11.643 6.912 ( 4.644 -5.729 -14.530) 16.295 7.487 ( -6.069 3.964 -5.948) 9.377 7.599 ( 1.237 -2.511 -3.088) 4.167 8.993 ( -7.295 -2.318 -3.686) 8.496 9.125 ( 7.319 -0.307 2.462) 7.729 9.898 ( -8.654 7.722 -1.251) 11.665 10.201 ( -0.327 18.742 -6.544) 19.854 10.389 ( -2.363 1.280 1.616) 3.136 10.662 ( 5.330 -1.373 -1.743) 5.773 10.845 ( -5.704 -0.527 6.587) 8.730 11.105 ( 2.425 0.981 -4.150) 4.906 12.890 ( -5.898 -2.476 15.662) 16.917 13.639 ( 11.077 -4.055 -20.793) 23.906 15.472 ( -0.569 -0.570 3.709) 3.796 15.532 ( -2.324 -0.649 -3.061) 3.898 16.115 ( -1.076 2.158 5.993) 6.460 16.299 ( 1.702 -5.335 -4.023) 6.895 16.660 ( 2.513 3.413 0.119) 4.240 16.768 ( 3.069 -2.589 -3.045) 5.039 18.379 ( 0.864 0.984 5.704) 5.852 18.546 ( 2.919 -5.798 -4.733) 8.034 23.615 ( 0.114 2.586 28.280) 28.398 24.137 ( -7.485 3.458 -18.987) 20.700 29.131 ( -1.508 1.131 1.727) 2.557 29.260 ( 3.902 -8.558 -1.924) 9.600 29.653 ( 3.455 0.084 6.540) 7.397 29.787 ( 0.826 0.769 -5.525) 5.639 30.558 ( -6.225 1.765 6.344) 9.061 30.842 ( 4.875 -0.010 -3.265) 5.868 32.278 ( -24.193 1.556 4.963) 24.746 33.356 ( 27.929 -0.539 -17.372) 32.895 ======================= Grid point 311 (144/227) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 5.007 -3.360 1.815) 6.297 2.944 ( -7.785 6.289 -15.756) 18.666 3.168 ( 12.508 -19.051 1.289) 22.826 3.379 ( -3.295 -9.226 -13.930) 17.030 3.765 ( 13.942 -3.701 8.648) 16.819 4.134 ( 14.779 -9.794 19.966) 26.702 4.704 ( 3.440 -11.656 22.400) 25.485 5.163 ( 7.597 0.857 4.539) 8.892 5.744 ( -5.617 5.326 -1.610) 7.906 6.036 ( 0.313 -1.631 2.198) 2.755 6.805 ( 3.992 -4.947 -4.657) 7.880 6.967 ( 2.707 -4.671 -0.914) 5.476 7.382 ( 2.021 -0.452 0.916) 2.264 7.597 ( -3.043 -1.586 -1.765) 3.859 8.902 ( -5.989 -3.797 -5.349) 8.883 9.233 ( 2.360 0.941 -0.271) 2.555 9.412 ( -17.944 22.186 -5.902) 29.138 9.983 ( -3.580 7.509 -2.343) 8.642 10.356 ( -0.699 1.110 -1.536) 2.020 10.688 ( 3.661 5.668 -0.940) 6.813 10.820 ( -4.398 -1.960 2.835) 5.588 11.073 ( 0.565 2.605 -4.578) 5.298 12.960 ( -5.670 -3.723 16.150) 17.517 13.716 ( 12.117 -4.663 -20.737) 24.467 15.462 ( -2.498 0.300 -0.913) 2.676 15.520 ( -0.985 -2.116 1.955) 3.045 16.040 ( -3.036 6.088 0.848) 6.856 16.424 ( -0.215 -4.923 3.325) 5.945 16.614 ( 2.381 1.589 -5.023) 5.782 16.878 ( 7.231 -2.922 -0.479) 7.813 18.400 ( -0.398 1.264 4.992) 5.165 18.683 ( 6.017 -8.395 -3.288) 10.839 23.705 ( -4.632 8.306 18.474) 20.779 23.941 ( 0.048 0.648 -7.846) 7.873 29.093 ( -3.834 -1.134 1.163) 4.164 29.442 ( 6.280 -6.526 -0.679) 9.082 29.729 ( 2.083 1.718 -2.739) 3.846 29.820 ( 6.354 -2.393 5.354) 8.647 30.508 ( -3.885 0.586 5.235) 6.545 30.902 ( 5.795 -1.084 -4.080) 7.169 31.871 ( -25.974 5.284 0.221) 26.507 33.577 ( 17.855 -2.557 -17.632) 25.223 ======================= Grid point 312 (145/227) ======================= q-point: ( 0.30 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 3.002 -3.362 -5.910) 7.432 2.699 ( -4.485 2.169 -10.300) 11.441 3.074 ( -4.845 -0.251 -19.673) 20.262 3.747 ( 12.330 -7.603 13.009) 19.470 4.045 ( 2.506 -10.816 11.467) 15.961 4.632 ( 19.430 -10.008 9.235) 23.727 5.033 ( -0.481 -8.764 14.600) 17.035 5.284 ( 7.030 0.046 3.617) 7.906 5.636 ( -0.174 1.720 -0.688) 1.860 6.099 ( 2.419 -3.159 1.934) 4.424 6.779 ( -5.701 -7.764 -10.926) 14.566 7.061 ( 4.999 2.939 0.834) 5.858 7.502 ( 0.489 1.189 4.269) 4.458 7.594 ( 3.388 -6.787 3.768) 8.470 8.664 ( -13.391 21.240 -10.378) 27.169 8.911 ( -7.861 -4.640 -2.695) 9.518 9.333 ( 1.055 2.562 5.111) 5.814 9.840 ( -3.855 1.080 -7.127) 8.175 10.322 ( -0.232 2.126 0.008) 2.139 10.641 ( 2.514 7.117 -1.433) 7.683 10.803 ( -2.393 -1.056 1.530) 3.030 11.005 ( -0.188 2.576 -4.861) 5.504 13.037 ( -6.422 -3.712 16.755) 18.324 13.805 ( 12.659 -3.854 -20.427) 24.339 15.412 ( -2.292 0.497 -1.130) 2.603 15.550 ( -1.102 -2.210 2.517) 3.526 15.908 ( -2.510 8.189 -1.572) 8.708 16.393 ( -3.117 2.828 0.808) 4.286 16.678 ( 1.504 -7.511 -2.544) 8.071 17.009 ( 7.209 0.082 0.505) 7.227 18.421 ( -0.852 0.195 6.042) 6.105 18.842 ( 5.209 -6.777 -3.443) 9.215 23.581 ( -4.739 8.959 2.901) 10.542 23.962 ( 1.292 0.574 5.535) 5.713 29.077 ( -3.471 -3.254 1.858) 5.108 29.557 ( 4.186 -0.759 -1.660) 4.566 29.704 ( 2.183 2.267 -3.404) 4.636 29.984 ( 3.247 -1.916 6.345) 7.381 30.497 ( -0.347 1.009 0.289) 1.105 30.959 ( 0.065 -5.254 -6.754) 8.557 31.501 ( -13.402 4.220 5.166) 14.970 33.710 ( 10.969 -3.648 -14.425) 18.486 ======================= Grid point 313 (146/227) ======================= q-point: ( 0.40 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 1.349 -3.551 -7.625) 8.518 2.590 ( -2.987 3.143 -1.340) 4.538 2.900 ( 2.981 2.435 -18.751) 19.142 3.982 ( -2.185 1.311 22.247) 22.392 4.292 ( 2.178 -10.443 7.136) 12.834 4.914 ( -1.146 2.436 4.368) 5.132 5.099 ( 2.893 -1.660 6.054) 6.912 5.461 ( 6.501 -4.669 4.430) 9.148 5.695 ( 4.080 -3.120 -0.202) 5.140 6.201 ( 1.945 -4.485 1.964) 5.268 6.731 ( -2.050 -7.011 -11.272) 13.432 6.983 ( -3.963 6.927 -4.324) 9.076 7.550 ( 2.780 -5.710 0.279) 6.357 7.763 ( 3.854 0.258 8.290) 9.146 8.229 ( -5.710 15.475 -1.238) 16.541 8.913 ( -1.996 -7.673 -2.235) 8.238 9.295 ( -5.002 4.457 4.116) 7.863 9.752 ( -0.790 -3.297 -11.383) 11.877 10.304 ( 0.689 3.309 3.667) 4.987 10.583 ( 2.637 5.007 -4.001) 6.930 10.801 ( -1.454 -1.144 2.152) 2.837 10.951 ( 0.496 0.765 -4.311) 4.406 13.097 ( -7.569 -2.799 17.140) 18.945 13.881 ( 12.393 -2.157 -20.431) 23.993 15.371 ( -1.445 0.629 -0.317) 1.608 15.574 ( -1.376 -1.979 1.546) 2.864 15.757 ( -1.581 7.568 -3.058) 8.314 16.343 ( 0.106 2.736 1.599) 3.170 16.758 ( -1.026 -7.506 -2.230) 7.898 17.081 ( 4.378 2.590 0.178) 5.090 18.457 ( -1.167 -0.314 7.457) 7.555 18.937 ( 2.800 -3.645 -4.457) 6.402 23.423 ( -4.986 8.171 2.870) 9.993 24.019 ( 2.197 -0.785 3.398) 4.121 29.092 ( -2.491 -3.256 2.664) 4.889 29.558 ( -0.319 1.071 -3.739) 3.903 29.716 ( 5.406 2.109 -0.821) 5.861 30.011 ( -2.803 2.924 1.531) 4.330 30.446 ( -1.172 2.643 -2.396) 3.755 30.916 ( -7.874 -9.131 -8.533) 14.771 31.511 ( 5.123 0.257 12.527) 13.536 33.783 ( 6.305 -2.464 -11.301) 13.173 ======================= Grid point 314 (147/227) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -5.266 0.727 -3.415) 6.318 2.506 ( 2.370 5.124 0.877) 5.714 2.806 ( 1.528 2.153 -15.138) 15.366 4.014 ( -11.367 4.548 26.177) 28.899 4.355 ( -10.798 -2.066 5.889) 12.472 4.809 ( -3.942 9.620 6.102) 12.054 5.250 ( 7.400 -3.293 3.482) 8.816 5.590 ( 3.044 -0.794 1.919) 3.685 5.735 ( -1.876 1.491 0.216) 2.406 6.270 ( -1.496 -3.688 2.881) 4.913 6.707 ( 4.972 -1.448 -18.418) 19.132 6.844 ( -1.228 3.946 1.218) 4.308 7.663 ( 1.068 -5.338 -1.109) 5.556 7.821 ( 2.176 2.512 4.559) 5.642 8.097 ( 1.829 4.075 2.872) 5.310 8.997 ( 0.901 -7.408 1.084) 7.541 9.161 ( -8.358 3.363 2.429) 9.331 9.723 ( 2.818 -3.459 -13.097) 13.837 10.322 ( 1.365 1.536 5.678) 6.039 10.533 ( 1.546 3.377 -4.909) 6.156 10.819 ( -1.139 -2.776 1.411) 3.315 10.937 ( 0.536 -1.465 -3.795) 4.104 13.124 ( -8.871 -1.123 17.079) 19.278 13.923 ( 11.735 0.167 -20.914) 23.982 15.354 ( -0.097 0.359 0.568) 0.679 15.573 ( -0.804 -0.563 -1.202) 1.552 15.663 ( 0.328 3.618 -0.117) 3.634 16.346 ( 2.767 2.544 1.640) 4.101 16.796 ( -1.127 -3.684 -2.452) 4.567 17.088 ( 0.723 1.639 -0.068) 1.793 18.495 ( -1.481 0.331 7.971) 8.114 18.954 ( 0.646 -0.972 -5.144) 5.275 23.279 ( -6.138 6.808 5.741) 10.815 24.106 ( 4.160 -3.967 0.481) 5.769 29.105 ( -1.458 0.417 3.204) 3.545 29.513 ( -1.144 -1.056 -3.409) 3.748 29.793 ( 6.839 0.217 0.986) 6.914 29.881 ( -5.820 4.696 -3.164) 8.120 30.407 ( -2.031 -0.059 2.287) 3.059 30.858 ( -4.193 -4.993 -7.563) 9.985 31.688 ( 4.722 -1.573 9.160) 10.425 33.785 ( 2.495 1.043 -9.587) 9.962 ======================= Grid point 315 (148/227) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -4.614 14.545 2.542) 15.469 2.505 ( -8.935 -1.977 0.427) 9.161 2.632 ( -1.716 4.508 -8.829) 10.061 3.925 ( -16.325 6.958 25.437) 31.016 4.202 ( -17.113 1.340 10.586) 20.167 4.634 ( -4.196 14.655 6.481) 16.565 5.389 ( 2.567 4.533 4.850) 7.118 5.594 ( -8.461 6.076 -0.709) 10.440 5.652 ( 4.625 -0.749 2.247) 5.196 6.302 ( -2.792 -1.846 4.757) 5.817 6.652 ( 7.584 0.179 -22.624) 23.862 6.869 ( 7.485 3.204 4.428) 9.268 7.682 ( -0.023 -0.718 -2.634) 2.730 7.872 ( 2.311 -1.029 0.608) 2.602 8.176 ( 3.523 -6.108 1.584) 7.227 9.033 ( -4.521 -1.000 -2.810) 5.417 9.128 ( 0.089 -4.148 10.254) 11.062 9.718 ( 5.118 -0.823 -13.837) 14.776 10.364 ( -0.307 1.250 3.420) 3.654 10.493 ( 0.743 -0.964 -1.023) 1.590 10.850 ( -0.699 -3.032 -0.508) 3.152 10.933 ( -1.909 -4.276 -4.275) 6.341 13.107 ( -10.161 0.988 16.633) 19.516 13.919 ( 11.269 2.898 -21.972) 24.863 15.362 ( 0.882 0.363 0.565) 1.108 15.591 ( 3.038 -2.119 0.295) 3.716 15.655 ( 0.654 0.742 1.349) 1.672 16.377 ( 3.995 2.316 0.744) 4.677 16.771 ( 0.030 3.029 -3.283) 4.467 17.074 ( -3.180 -1.989 0.618) 3.801 18.508 ( -1.771 2.590 6.633) 7.338 18.920 ( -0.921 -0.014 -4.719) 4.808 23.165 ( -6.770 4.888 9.544) 12.681 24.253 ( 6.099 -8.550 -1.570) 10.619 29.088 ( 0.413 4.225 3.004) 5.200 29.512 ( 0.223 -2.252 -1.463) 2.695 29.721 ( -6.300 2.819 -2.224) 7.252 29.927 ( 6.773 -3.334 3.157) 8.183 30.401 ( -2.493 -0.419 3.150) 4.039 30.803 ( -1.517 -0.431 -5.164) 5.399 31.789 ( 0.552 -2.138 1.652) 2.758 33.678 ( -1.673 7.107 -8.603) 11.283 ======================= Grid point 316 (149/227) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -7.705 17.827 8.881) 21.355 2.217 ( -16.986 8.628 4.907) 19.673 2.639 ( 1.238 0.350 4.218) 4.409 3.719 ( -20.353 10.579 21.392) 31.365 3.973 ( -18.788 3.728 10.432) 21.811 4.474 ( -3.636 12.508 11.052) 17.082 5.163 ( -13.549 17.508 7.190) 23.276 5.425 ( -7.721 4.172 -5.195) 10.198 5.763 ( 4.838 0.292 3.023) 5.712 6.328 ( 2.094 -2.666 2.881) 4.450 6.646 ( 9.797 -3.363 -19.623) 22.189 7.033 ( 13.355 2.530 4.074) 14.190 7.663 ( -0.212 -2.264 -6.794) 7.164 7.865 ( -1.929 2.632 -4.835) 5.833 8.363 ( 4.958 -11.902 4.305) 13.593 8.998 ( 0.839 -1.864 -4.594) 5.029 9.275 ( 1.795 -1.834 16.017) 16.222 9.670 ( 4.102 3.289 -13.375) 14.371 10.323 ( -2.238 1.638 1.325) 3.074 10.592 ( 0.602 -8.832 3.744) 9.612 10.831 ( -3.605 -0.723 -2.241) 4.306 10.951 ( -0.250 -5.934 -3.217) 6.755 13.044 ( -10.990 2.747 16.160) 19.735 13.867 ( 10.880 5.744 -23.150) 26.216 15.374 ( 1.236 0.847 0.646) 1.632 15.651 ( 0.905 -0.712 -1.869) 2.196 15.749 ( 5.850 -6.284 5.325) 10.103 16.415 ( 4.107 1.750 0.231) 4.470 16.682 ( 0.263 7.483 -3.331) 8.195 17.040 ( -6.146 -2.572 0.163) 6.665 18.469 ( -2.014 5.546 4.363) 7.338 18.861 ( -2.712 0.086 -4.480) 5.238 23.106 ( -6.109 2.789 13.992) 15.520 24.470 ( 7.146 -14.233 -5.435) 16.828 29.071 ( 2.882 5.174 2.268) 6.342 29.530 ( -0.837 -0.908 0.020) 1.235 29.606 ( -4.606 1.457 0.538) 4.861 30.107 ( 6.259 -4.361 2.979) 8.189 30.392 ( -2.660 -2.703 3.055) 4.869 30.757 ( -0.431 2.134 -0.530) 2.240 31.797 ( 0.144 -2.484 -5.484) 6.022 33.433 ( -6.295 14.908 -4.984) 16.933 ======================= Grid point 317 (150/227) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -3.328 16.156 21.194) 26.856 1.960 ( -11.825 12.484 20.660) 26.880 2.664 ( -0.163 6.479 13.123) 14.636 3.382 ( -21.166 12.982 14.365) 28.686 3.772 ( -14.806 -2.207 8.048) 16.995 4.333 ( -6.273 13.712 11.046) 18.692 4.855 ( -10.289 10.037 9.944) 17.478 5.124 ( -16.043 7.879 -5.438) 18.682 5.824 ( 3.432 0.369 1.021) 3.600 6.488 ( 4.713 -9.444 -1.179) 10.620 6.701 ( 8.633 -3.976 -18.657) 20.938 7.162 ( 7.134 4.056 -4.540) 9.379 7.628 ( -3.461 9.320 -9.718) 13.903 7.688 ( -0.768 -1.623 -5.298) 5.594 8.691 ( 7.467 -15.799 8.498) 19.431 9.048 ( 8.523 -1.268 -1.007) 8.676 9.407 ( 2.746 3.289 9.361) 10.295 9.649 ( 7.263 0.983 0.367) 7.339 10.324 ( -0.577 -3.121 3.061) 4.410 10.695 ( -7.147 -9.654 -3.554) 12.526 10.789 ( 0.336 1.456 7.638) 7.783 11.009 ( 2.221 -4.657 -3.549) 6.262 12.959 ( -10.804 3.342 15.895) 19.507 13.769 ( 9.965 7.611 -23.238) 26.405 15.389 ( 1.365 1.020 1.557) 2.308 15.649 ( 0.361 -0.231 -2.836) 2.868 15.963 ( 3.527 -8.996 3.777) 10.375 16.464 ( 4.111 0.912 1.659) 4.526 16.564 ( 0.192 7.938 -2.742) 8.400 16.947 ( -7.713 -0.143 -2.416) 8.084 18.387 ( -2.425 6.649 3.768) 8.018 18.765 ( -4.521 0.923 -5.580) 7.241 23.125 ( -4.010 0.878 18.715) 19.160 24.690 ( 4.131 -17.035 -15.089) 23.128 29.079 ( 3.787 3.906 1.346) 5.604 29.486 ( -3.524 2.261 -0.800) 4.263 29.558 ( -2.651 0.459 3.001) 4.031 30.122 ( -4.110 2.038 -7.285) 8.609 30.536 ( 4.226 -10.962 5.736) 13.074 30.724 ( -2.251 2.029 3.483) 4.616 31.869 ( 13.837 -2.257 -1.576) 14.108 33.089 ( -9.651 18.973 3.688) 21.604 ======================= Grid point 318 (151/227) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -4.480 17.747 26.780) 32.437 1.965 ( 2.852 6.107 31.800) 32.507 2.705 ( 4.645 9.167 20.553) 22.979 3.118 ( -6.586 4.398 9.284) 12.203 3.707 ( -12.031 -10.323 4.904) 16.594 4.087 ( -9.523 16.005 3.879) 19.023 4.720 ( -17.438 1.540 3.614) 17.875 4.811 ( -4.245 5.052 8.978) 11.142 5.896 ( 5.467 -1.333 -0.490) 5.648 6.543 ( -9.331 -9.554 -11.414) 17.567 6.672 ( -1.761 0.105 -13.598) 13.712 7.050 ( -1.546 9.344 -13.309) 16.335 7.409 ( 5.906 5.128 -5.641) 9.644 7.742 ( 2.491 -1.940 -4.374) 5.394 8.908 ( 4.358 -3.294 -0.675) 5.504 9.194 ( -2.522 -0.615 2.039) 3.301 9.650 ( 21.694 -10.595 6.663) 25.046 9.844 ( 15.254 2.037 10.581) 18.676 10.417 ( 0.935 -6.130 4.311) 7.552 10.617 ( -6.586 -0.485 -0.996) 6.679 10.856 ( -2.000 -1.243 8.361) 8.687 11.068 ( 3.230 -2.367 -3.980) 5.646 12.885 ( -9.441 2.355 15.737) 18.502 13.657 ( 8.992 5.924 -21.618) 24.152 15.412 ( 1.174 0.738 2.601) 2.947 15.626 ( -0.566 0.053 -3.352) 3.400 16.067 ( -2.744 -3.340 1.960) 4.746 16.459 ( -0.927 3.253 -4.199) 5.392 16.545 ( 3.712 0.511 3.673) 5.247 16.810 ( -4.866 0.899 -4.102) 6.427 18.314 ( -1.846 3.996 4.909) 6.594 18.640 ( -4.191 1.511 -5.724) 7.253 23.235 ( -1.199 -0.311 23.118) 23.151 24.715 ( -5.234 -10.095 -24.786) 27.270 29.089 ( 1.367 2.517 1.125) 3.078 29.362 ( -4.547 4.459 -3.509) 7.271 29.557 ( -1.912 -0.655 5.229) 5.606 29.948 ( -5.980 1.027 -8.328) 10.304 30.672 ( -6.571 -3.338 4.240) 8.503 30.738 ( 5.100 -2.892 -1.727) 6.112 32.309 ( 33.391 -5.862 6.112) 34.448 32.786 ( -9.349 13.884 9.407) 19.201 ======================= Grid point 320 (152/227) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 24.771 -0.000 10.363) 26.851 2.560 ( 19.501 -0.000 -15.813) 25.107 3.072 ( -15.219 0.000 -12.038) 19.404 3.283 ( 2.717 -0.000 -16.217) 16.443 3.772 ( 0.702 -0.000 13.374) 13.392 3.971 ( 27.008 -0.000 15.719) 31.250 4.548 ( -1.764 0.000 27.192) 27.249 5.174 ( 8.750 -0.000 4.173) 9.695 5.867 ( -4.598 0.000 -1.359) 4.794 5.957 ( -4.962 0.000 4.151) 6.469 6.804 ( -2.245 0.000 -12.128) 12.334 6.832 ( 15.832 -0.000 10.469) 18.981 7.371 ( -0.581 0.000 -8.690) 8.709 7.591 ( -2.876 0.000 2.416) 3.756 8.850 ( -6.486 0.000 -2.653) 7.008 9.233 ( 5.081 -0.000 1.361) 5.260 9.742 ( -15.451 0.000 -7.567) 17.204 10.091 ( -13.784 0.000 -18.959) 23.440 10.375 ( -2.528 0.000 2.342) 3.446 10.719 ( 4.825 -0.000 3.498) 5.960 10.813 ( -6.303 0.000 8.327) 10.443 11.103 ( 1.019 -0.000 -5.753) 5.842 12.910 ( -4.509 0.000 15.098) 15.757 13.649 ( 13.197 -0.000 -19.929) 23.903 15.470 ( -2.432 0.000 -2.617) 3.573 15.487 ( -1.045 0.000 4.554) 4.672 16.223 ( 0.602 -0.000 8.763) 8.784 16.236 ( 2.655 -0.000 -3.288) 4.226 16.681 ( -3.454 0.000 -6.725) 7.560 16.809 ( 9.390 -0.000 0.401) 9.399 18.493 ( 4.665 -0.000 6.491) 7.994 18.494 ( 2.483 -0.000 -5.436) 5.976 23.828 ( -3.034 0.000 29.813) 29.967 23.936 ( -3.595 0.000 -17.793) 18.153 29.117 ( -2.278 0.000 -3.130) 3.871 29.310 ( 9.568 -0.000 3.903) 10.334 29.772 ( 1.528 -0.000 -5.122) 5.345 29.776 ( 6.128 -0.000 7.390) 9.601 30.519 ( -6.443 0.000 6.500) 9.152 30.857 ( 0.766 -0.000 -3.958) 4.032 31.985 ( -19.537 0.000 1.024) 19.563 33.528 ( 16.646 -0.000 -22.122) 27.686 ======================= Grid point 321 (153/227) ======================= q-point: ( 0.20 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 12.826 11.784 -17.976) 25.030 2.733 ( 2.816 -0.922 -20.331) 20.546 3.134 ( 10.169 4.646 -5.727) 12.562 3.430 ( 22.112 -16.049 4.067) 27.623 3.860 ( -3.133 -3.306 15.152) 15.822 4.465 ( 22.814 -2.810 10.840) 25.414 4.763 ( 1.344 -8.362 17.983) 19.878 5.323 ( 8.727 1.101 2.241) 9.077 5.756 ( -4.084 7.264 2.422) 8.678 5.979 ( -3.844 -7.194 4.640) 9.384 6.650 ( -6.204 -1.958 -11.359) 13.090 7.111 ( 10.248 1.269 3.875) 11.029 7.431 ( 8.403 -4.822 -0.861) 9.726 7.539 ( -3.738 1.003 3.991) 5.559 8.778 ( -3.300 -1.544 0.342) 3.659 9.146 ( -16.210 9.069 -12.348) 22.304 9.432 ( -1.432 7.600 -0.239) 7.737 9.784 ( -13.978 -6.089 -13.038) 20.061 10.350 ( -1.289 1.224 0.999) 2.039 10.767 ( -4.664 2.686 7.545) 9.269 10.818 ( 3.724 0.671 3.972) 5.486 11.048 ( -1.022 0.796 -7.391) 7.504 12.966 ( -4.368 -1.666 15.129) 15.835 13.726 ( 14.399 -1.985 -19.780) 24.546 15.420 ( -1.887 0.183 -1.850) 2.649 15.511 ( -1.077 -0.858 4.477) 4.684 16.138 ( -0.088 10.405 0.361) 10.411 16.386 ( 1.543 -7.765 2.745) 8.379 16.548 ( -4.853 0.549 -7.371) 8.842 16.969 ( 8.581 -2.194 1.122) 8.928 18.467 ( 2.234 3.272 -0.729) 4.028 18.662 ( 4.997 -6.585 2.247) 8.567 23.761 ( -1.066 4.788 -10.854) 11.911 23.957 ( -6.538 -0.768 21.484) 22.470 29.056 ( -1.931 0.869 -1.868) 2.823 29.508 ( 9.381 -2.440 1.669) 9.835 29.755 ( 2.535 1.481 -4.245) 5.161 29.934 ( 5.635 -1.528 7.299) 9.346 30.486 ( -4.052 -0.956 6.348) 7.591 30.794 ( -8.618 -4.732 -7.191) 12.181 31.749 ( -4.953 9.361 3.558) 11.172 33.581 ( 9.413 -4.777 -21.808) 24.228 ======================= Grid point 322 (154/227) ======================= q-point: ( 0.30 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 7.969 5.465 -14.572) 17.485 2.713 ( 12.893 4.870 -14.267) 19.837 3.097 ( 11.161 13.854 -9.773) 20.298 3.962 ( 18.167 -7.277 7.680) 21.024 3.999 ( -3.765 -9.282 15.410) 18.379 4.849 ( 12.339 -4.884 6.919) 14.966 4.998 ( 1.118 -8.182 9.264) 12.411 5.420 ( 5.289 2.407 3.570) 6.820 5.667 ( 1.015 1.938 0.423) 2.228 6.058 ( -2.489 -8.170 3.119) 9.092 6.562 ( -0.520 -4.554 -9.370) 10.431 7.106 ( -4.197 2.757 -6.397) 8.132 7.499 ( 2.577 0.849 3.231) 4.219 7.700 ( 7.759 -4.615 6.574) 11.168 8.609 ( -17.013 13.998 -11.008) 24.628 8.793 ( 0.137 -2.224 2.880) 3.642 9.374 ( -4.954 2.328 1.491) 5.673 9.644 ( -4.488 -5.681 -8.657) 11.286 10.333 ( -0.286 0.226 0.665) 0.758 10.704 ( -4.148 4.755 5.318) 8.252 10.864 ( 1.580 3.393 3.433) 5.079 10.977 ( 1.393 1.139 -6.455) 6.701 13.031 ( -5.293 -2.233 15.750) 16.765 13.824 ( 14.516 -2.067 -19.772) 24.615 15.384 ( -1.091 0.358 -1.134) 1.613 15.537 ( -0.998 -0.859 3.896) 4.112 15.966 ( -3.594 9.468 -5.249) 11.407 16.434 ( 1.081 4.067 -0.604) 4.252 16.525 ( -1.993 -10.766 -2.008) 11.131 17.103 ( 5.015 -0.826 1.420) 5.277 18.469 ( 1.296 1.483 2.191) 2.946 18.812 ( 3.507 -5.772 -0.004) 6.754 23.613 ( -1.459 6.717 -6.214) 9.266 23.988 ( -7.294 -1.746 12.861) 14.888 29.028 ( -0.811 -1.348 -0.734) 1.736 29.599 ( 1.878 1.674 -2.063) 3.253 29.771 ( 6.024 2.004 -2.239) 6.732 30.034 ( -0.744 -0.511 4.186) 4.282 30.510 ( -0.179 0.916 0.040) 0.934 30.657 ( -10.511 -9.160 -2.563) 14.176 31.694 ( 8.539 12.164 9.058) 17.405 33.628 ( 4.891 -8.919 -17.708) 20.422 ======================= Grid point 323 (155/227) ======================= q-point: ( 0.40 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 9.129 6.278 -6.315) 12.753 2.758 ( 12.964 4.494 -11.819) 18.109 2.978 ( 7.341 17.627 -9.240) 21.213 4.123 ( -8.280 -0.348 25.822) 27.119 4.248 ( 7.639 -2.932 -1.942) 8.410 4.951 ( -4.737 1.594 12.671) 13.621 5.173 ( 9.187 -2.969 -1.758) 9.814 5.547 ( 6.415 -2.379 4.832) 8.376 5.713 ( 3.375 -1.777 -2.259) 4.433 6.135 ( -3.758 -8.228 1.651) 9.195 6.595 ( 4.845 -4.313 -7.867) 10.196 6.950 ( -2.222 2.679 -7.183) 7.982 7.565 ( 2.817 -0.901 2.757) 4.044 7.847 ( 1.876 -1.771 2.476) 3.576 8.220 ( -11.409 5.766 -5.003) 13.728 8.871 ( 2.206 -3.460 4.581) 6.150 9.242 ( -9.168 3.016 1.717) 9.803 9.629 ( 1.749 -2.929 -7.089) 7.867 10.348 ( 0.233 -1.165 1.598) 1.992 10.605 ( -3.201 4.774 -0.333) 5.758 10.842 ( -1.727 1.388 1.839) 2.880 10.974 ( 5.387 4.731 -1.938) 7.426 13.086 ( -6.568 -1.838 16.531) 17.882 13.910 ( 13.820 -0.939 -19.976) 24.309 15.365 ( 0.081 0.478 -0.377) 0.615 15.552 ( -1.301 -0.392 2.142) 2.537 15.772 ( -3.409 4.784 -6.438) 8.716 16.417 ( 3.083 2.416 -1.665) 4.256 16.617 ( -0.995 -8.557 0.441) 8.626 17.147 ( 0.982 1.797 0.262) 2.064 18.497 ( 0.260 0.238 4.999) 5.011 18.898 ( 1.443 -3.474 -2.299) 4.409 23.458 ( -4.605 7.511 -0.064) 8.811 23.998 ( -4.200 -4.851 3.748) 7.431 29.055 ( 0.602 -3.280 0.459) 3.367 29.538 ( -2.208 3.027 -2.222) 4.356 29.826 ( 5.807 1.748 -1.224) 6.187 29.970 ( -7.086 1.513 -2.847) 7.785 30.444 ( -1.030 2.414 1.195) 2.883 30.721 ( 1.706 -5.410 1.193) 5.797 31.777 ( 9.275 8.717 9.258) 15.740 33.678 ( 1.409 -9.032 -12.866) 15.783 ======================= Grid point 324 (156/227) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 9.919 8.333 1.570) 13.050 2.693 ( -9.388 6.899 -13.319) 17.695 2.824 ( 17.007 17.689 -4.525) 24.952 4.121 ( -16.007 4.644 32.038) 36.114 4.235 ( -2.703 5.860 -2.020) 6.762 4.941 ( -1.534 8.404 7.260) 11.211 5.361 ( 11.599 -4.096 2.995) 12.660 5.646 ( 3.623 1.063 -2.093) 4.318 5.728 ( -1.459 1.619 0.882) 2.351 6.172 ( -5.346 -7.810 1.772) 9.629 6.656 ( 6.947 -0.896 -12.576) 14.395 6.918 ( 6.146 1.305 -2.160) 6.644 7.644 ( 2.075 -2.218 2.231) 3.769 7.851 ( -1.964 -0.739 -1.873) 2.813 8.043 ( -8.042 -4.258 -2.871) 9.542 9.006 ( -1.427 -6.618 9.388) 11.574 9.087 ( -3.069 5.640 1.223) 6.537 9.652 ( 3.872 -2.612 -7.852) 9.136 10.377 ( -0.459 -0.915 2.205) 2.431 10.510 ( -1.643 1.603 -4.451) 5.008 10.823 ( -1.161 0.601 2.602) 2.912 10.956 ( 3.024 6.130 -2.477) 7.270 13.116 ( -7.796 -0.362 16.881) 18.597 13.962 ( 12.990 0.816 -20.696) 24.448 15.371 ( 1.395 0.383 0.134) 1.453 15.544 ( -0.817 -1.319 -0.579) 1.656 15.678 ( -1.026 0.749 -2.271) 2.603 16.433 ( 4.625 1.782 -2.991) 5.789 16.710 ( -0.074 -6.397 1.626) 6.601 17.099 ( -2.654 3.126 -0.950) 4.209 18.536 ( -0.832 0.112 6.721) 6.773 18.912 ( -0.019 -1.062 -3.826) 3.971 23.303 ( -6.938 6.272 5.238) 10.720 24.046 ( -1.090 -8.232 -1.817) 8.501 29.120 ( 1.796 -2.377 1.856) 3.510 29.470 ( -1.779 0.822 0.095) 1.962 29.802 ( -6.621 2.656 -5.288) 8.880 29.882 ( 3.849 -0.247 0.144) 3.860 30.443 ( 1.565 3.390 3.988) 5.464 30.799 ( 3.449 0.050 0.540) 3.492 31.848 ( 5.874 6.487 4.368) 9.780 33.688 ( -2.068 -5.647 -9.455) 11.206 ======================= Grid point 325 (157/227) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -16.165 9.017 -3.306) 18.803 2.524 ( 11.576 15.793 8.839) 21.483 2.836 ( 15.949 16.407 -1.898) 22.960 4.022 ( -18.895 7.556 32.491) 38.337 4.041 ( -10.226 8.375 0.342) 13.222 4.798 ( -4.062 13.006 5.475) 14.685 5.521 ( -8.693 7.816 -5.899) 13.094 5.534 ( 3.035 6.107 4.132) 7.974 5.764 ( 9.391 -0.191 0.045) 9.393 6.210 ( -7.045 -8.184 6.188) 12.446 6.621 ( 7.431 2.230 -19.138) 20.651 7.062 ( 12.316 -0.833 1.525) 12.438 7.641 ( -2.639 1.390 -4.249) 5.191 7.846 ( -0.708 -3.722 -1.220) 3.980 8.055 ( -2.966 -12.796 0.178) 13.136 8.981 ( -3.003 0.530 4.392) 5.347 9.196 ( 3.153 -4.349 10.289) 11.607 9.682 ( 4.574 -1.576 -10.338) 11.415 10.367 ( -3.057 0.207 -0.458) 3.098 10.463 ( 0.018 -1.387 -3.568) 3.828 10.834 ( -0.330 -1.053 2.661) 2.880 10.891 ( 0.670 4.685 -2.052) 5.159 13.105 ( -8.890 1.837 16.647) 18.961 13.972 ( 12.294 2.849 -22.267) 25.594 15.392 ( 2.111 0.601 -0.066) 2.195 15.592 ( 2.656 -4.336 1.191) 5.223 15.661 ( -0.454 -0.754 -0.606) 1.069 16.463 ( 5.703 1.931 -3.423) 6.926 16.779 ( 0.558 -1.638 0.873) 1.938 16.993 ( -6.379 1.156 -1.057) 6.569 18.556 ( -1.856 1.533 6.637) 7.060 18.876 ( -1.008 0.672 -4.348) 4.514 23.189 ( -7.095 3.959 10.140) 12.993 24.141 ( 0.253 -12.023 -5.088) 13.058 29.177 ( 2.799 1.852 2.895) 4.432 29.476 ( -0.603 -2.262 2.155) 3.182 29.661 ( -2.927 2.489 -4.273) 5.747 29.959 ( 1.771 -4.759 2.208) 5.537 30.432 ( 0.358 4.549 1.565) 4.824 30.829 ( 1.668 3.169 2.457) 4.343 31.864 ( 6.906 6.557 -1.116) 9.588 33.606 ( -5.891 -0.049 -7.395) 9.455 ======================= Grid point 326 (158/227) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -6.557 8.079 14.535) 17.875 2.492 ( 9.958 28.472 12.615) 32.694 2.902 ( 14.981 12.991 8.174) 21.448 3.754 ( -12.241 13.024 3.651) 18.243 3.832 ( -20.625 8.267 22.028) 31.289 4.626 ( -5.561 10.971 7.784) 14.556 5.164 ( -15.370 13.510 0.818) 20.480 5.391 ( -7.091 12.353 -4.118) 14.827 5.856 ( 4.681 1.966 -3.985) 6.454 6.270 ( -2.534 -8.682 2.342) 9.342 6.619 ( 8.301 -1.708 -12.687) 15.257 7.226 ( 7.721 0.657 -6.104) 9.864 7.581 ( 0.457 -3.606 -3.772) 5.238 7.823 ( -2.253 3.222 -4.212) 5.762 8.276 ( 4.982 -17.148 6.946) 19.160 9.021 ( 4.512 -0.448 2.259) 5.066 9.382 ( 0.395 -7.308 14.518) 16.259 9.650 ( 2.928 1.343 -13.231) 13.618 10.304 ( -3.231 0.355 0.525) 3.292 10.485 ( -0.820 -5.930 -3.091) 6.737 10.844 ( 0.222 2.340 3.159) 3.938 10.894 ( 2.387 -2.506 0.078) 3.462 13.052 ( -9.471 3.749 16.352) 19.265 13.931 ( 11.315 4.948 -24.082) 27.064 15.417 ( 2.464 1.093 0.487) 2.739 15.644 ( 0.405 -0.108 -2.059) 2.101 15.756 ( 4.618 -7.533 3.838) 9.633 16.505 ( 6.327 2.335 -1.958) 7.023 16.740 ( -2.221 5.749 -2.288) 6.574 16.899 ( -7.531 -3.469 -0.203) 8.294 18.531 ( -2.980 4.103 5.593) 7.550 18.805 ( -1.690 2.109 -4.952) 5.642 23.154 ( -5.338 1.402 15.131) 16.106 24.264 ( -0.574 -15.775 -8.857) 18.100 29.201 ( 3.674 4.914 2.657) 6.686 29.500 ( -1.679 -1.032 2.911) 3.515 29.595 ( 0.509 2.266 -3.067) 3.847 30.076 ( -0.898 -7.785 0.664) 7.865 30.374 ( -1.721 2.193 1.727) 3.280 30.796 ( -3.184 3.148 2.369) 5.065 31.941 ( 17.764 6.551 -0.522) 18.941 33.407 ( -9.579 6.250 -5.305) 12.608 ======================= Grid point 327 (159/227) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 6.112 6.560 29.019) 30.372 2.349 ( 10.710 33.345 17.540) 39.170 3.052 ( 14.390 16.093 19.445) 29.055 3.393 ( -15.477 18.371 9.143) 25.702 3.589 ( -12.217 1.221 -0.120) 12.278 4.444 ( -9.792 11.687 7.667) 17.066 4.836 ( -12.567 8.230 1.824) 15.132 5.037 ( -11.292 13.058 -0.117) 17.263 5.861 ( 2.621 -0.875 -4.008) 4.868 6.316 ( -5.770 -8.554 -7.340) 12.662 6.672 ( 4.700 0.292 -5.582) 7.303 7.185 ( 0.712 0.952 -13.551) 13.603 7.641 ( -2.184 10.627 -6.941) 12.880 7.661 ( 2.848 -4.115 -3.378) 6.038 8.689 ( 10.432 -15.087 11.584) 21.695 9.141 ( 5.909 -2.085 3.129) 7.004 9.516 ( 4.059 -0.426 -0.439) 4.105 9.679 ( 0.664 -12.992 3.187) 13.394 10.301 ( -0.709 -2.772 2.976) 4.128 10.520 ( -0.971 -5.805 -3.437) 6.816 10.862 ( 0.414 1.207 5.404) 5.553 10.977 ( 3.877 -3.657 -1.190) 5.460 12.979 ( -9.052 4.619 16.318) 19.223 13.839 ( 10.031 6.818 -24.691) 27.509 15.442 ( 2.022 1.525 1.600) 2.996 15.627 ( -0.244 -0.063 -3.230) 3.239 15.949 ( 5.484 -5.369 4.342) 8.818 16.540 ( -1.761 2.708 -0.706) 3.306 16.606 ( 1.552 4.149 -2.939) 5.316 16.819 ( -6.087 -0.845 -1.973) 6.454 18.453 ( -4.388 5.730 5.542) 9.099 18.710 ( -0.581 3.882 -5.913) 7.097 23.220 ( -2.513 -0.949 20.068) 20.247 24.352 ( -4.023 -16.225 -14.545) 22.158 29.202 ( 2.785 6.004 2.615) 7.116 29.506 ( 1.278 4.346 0.033) 4.530 29.537 ( -2.555 0.712 0.147) 2.657 29.994 ( -8.091 1.950 -8.109) 11.619 30.461 ( -0.514 -9.262 7.695) 12.052 30.731 ( -1.568 0.675 -0.257) 1.727 32.253 ( 26.897 1.432 6.279) 27.658 33.118 ( -9.224 10.328 -4.458) 14.547 ======================= Grid point 328 (160/227) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -2.366 25.187 25.108) 35.642 2.459 ( 19.149 20.677 19.895) 34.497 3.086 ( 7.025 8.879 10.939) 15.743 3.266 ( 0.964 4.102 15.209) 15.782 3.496 ( 3.672 -0.731 -2.213) 4.350 4.100 ( -14.848 15.339 -7.610) 22.664 4.562 ( -15.609 6.517 13.197) 21.454 4.916 ( 1.102 3.144 8.702) 9.318 5.910 ( 2.412 -4.494 -3.062) 5.949 6.194 ( -10.584 -5.198 -12.797) 17.401 6.641 ( -1.193 6.749 3.436) 7.666 7.050 ( 2.770 6.700 -16.758) 18.259 7.503 ( 0.586 1.868 -2.292) 3.015 7.674 ( -0.495 -0.714 -7.653) 7.702 8.982 ( 7.947 -2.574 4.328) 9.408 9.149 ( -5.061 2.973 -1.489) 6.056 9.785 ( 12.517 -11.761 3.499) 17.528 9.895 ( -2.473 -21.641 3.590) 22.076 10.368 ( -0.962 -3.997 3.418) 5.346 10.572 ( 4.179 -4.068 -3.343) 6.722 10.879 ( -2.195 1.162 5.406) 5.949 11.063 ( 3.772 -2.782 -2.902) 5.512 12.917 ( -7.660 4.215 16.223) 18.429 13.719 ( 9.551 7.139 -23.090) 25.987 15.460 ( 0.732 1.367 2.767) 3.172 15.590 ( -1.214 0.356 -3.618) 3.833 16.077 ( 2.006 0.630 6.206) 6.552 16.395 ( -3.649 2.135 -7.930) 8.986 16.625 ( -0.052 1.291 3.288) 3.533 16.759 ( 1.500 -0.024 -3.427) 3.741 18.372 ( -3.213 3.711 6.169) 7.884 18.618 ( 1.717 5.385 -5.762) 8.071 23.386 ( -0.087 -2.545 24.641) 24.772 24.309 ( -7.817 -10.640 -18.878) 23.037 29.166 ( -1.102 5.401 3.813) 6.702 29.372 ( -0.157 8.919 -5.817) 10.650 29.573 ( 0.851 -0.767 5.899) 6.009 29.833 ( -3.094 -0.179 -6.856) 7.524 30.561 ( -5.546 -4.871 7.038) 10.199 30.766 ( 5.299 -2.624 -3.070) 6.662 32.530 ( -12.086 -0.572 11.888) 16.963 33.018 ( 27.551 4.641 -12.387) 30.562 ======================= Grid point 331 (161/227) ======================= q-point: ( 0.20 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 9.502 -0.000 -15.131) 17.867 2.764 ( 14.933 -0.000 -25.932) 29.925 3.422 ( 17.478 -0.000 -14.215) 22.529 3.723 ( 29.515 -0.000 15.680) 33.422 3.879 ( -5.421 0.000 15.327) 16.258 4.813 ( -3.407 0.000 17.326) 17.658 4.831 ( 21.257 -0.000 1.583) 21.316 5.464 ( 6.850 -0.000 1.865) 7.099 5.796 ( -4.628 0.000 2.490) 5.255 5.843 ( -7.398 0.000 5.715) 9.348 6.516 ( 2.545 -0.000 -11.184) 11.470 7.135 ( -6.737 0.000 -6.591) 9.425 7.553 ( 10.615 -0.000 2.003) 10.803 7.596 ( 3.571 -0.000 7.210) 8.046 8.765 ( -1.316 0.000 5.573) 5.726 8.819 ( -21.281 0.000 -16.001) 26.626 9.426 ( -11.594 0.000 -7.032) 13.560 9.523 ( 3.898 -0.000 0.132) 3.900 10.342 ( -1.845 0.000 0.760) 1.995 10.773 ( -4.153 0.000 9.418) 10.293 10.895 ( -3.074 0.000 1.074) 3.256 11.001 ( 5.109 -0.000 -3.552) 6.223 13.002 ( -4.183 0.000 14.666) 15.250 13.796 ( 15.543 -0.000 -19.461) 24.906 15.388 ( -0.971 0.000 -1.464) 1.757 15.528 ( -0.544 0.000 4.808) 4.838 16.182 ( -8.051 0.000 -11.236) 13.822 16.284 ( -0.364 0.000 1.064) 1.124 16.503 ( 2.049 -0.000 0.192) 2.058 17.079 ( 6.027 -0.000 2.116) 6.388 18.504 ( 3.121 -0.000 -5.027) 5.918 18.720 ( 3.220 -0.000 6.586) 7.331 23.710 ( 3.974 -0.000 -16.169) 16.650 23.955 ( -15.416 0.000 23.162) 27.823 29.018 ( -1.158 0.000 -3.217) 3.419 29.621 ( 4.726 -0.000 -0.695) 4.777 29.798 ( 6.083 -0.000 -3.071) 6.814 30.022 ( -0.133 0.000 4.278) 4.280 30.485 ( -0.787 0.000 8.476) 8.512 30.562 ( -8.615 0.000 -5.638) 10.296 31.899 ( 7.056 -0.000 10.709) 12.824 33.478 ( 4.846 -0.000 -23.945) 24.431 ======================= Grid point 332 (162/227) ======================= q-point: ( 0.30 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 17.421 7.906 -8.638) 20.991 2.785 ( 10.495 -0.713 -20.438) 22.987 3.447 ( 12.765 14.051 -13.692) 23.406 3.944 ( -2.771 -6.152 12.757) 14.432 4.285 ( 25.459 0.164 11.087) 27.769 4.902 ( -5.272 -3.558 19.655) 20.659 5.106 ( 14.463 -1.846 -3.635) 15.027 5.533 ( 2.650 1.577 3.791) 4.887 5.705 ( 0.884 1.972 -1.083) 2.418 5.877 ( -6.619 -10.667 3.121) 12.936 6.560 ( 11.268 0.337 -8.366) 14.039 6.958 ( -7.115 -0.928 -8.292) 10.965 7.616 ( 2.582 4.270 2.141) 5.430 7.750 ( 3.573 -5.228 0.863) 6.391 8.371 ( -18.785 5.236 -10.453) 22.126 8.784 ( -4.791 -3.351 5.633) 8.119 9.305 ( -2.894 1.743 2.574) 4.247 9.585 ( 3.611 -0.922 -2.056) 4.257 10.314 ( -2.386 -0.690 -0.113) 2.486 10.733 ( -5.717 4.407 0.094) 7.220 10.825 ( -3.172 -2.138 2.811) 4.747 11.109 ( 8.565 4.024 4.525) 10.489 13.047 ( -5.131 -1.007 15.086) 15.966 13.889 ( 15.308 -0.517 -19.444) 24.752 15.373 ( 0.253 0.122 -0.958) 0.998 15.556 ( -0.207 0.384 4.232) 4.254 15.893 ( -10.152 4.304 -13.013) 17.057 16.330 ( -0.334 -6.569 -3.416) 7.411 16.556 ( 4.420 1.739 2.604) 5.417 17.160 ( 2.229 -0.313 1.688) 2.813 18.511 ( 2.599 0.647 -2.426) 3.614 18.813 ( 1.255 -2.471 4.303) 5.118 23.630 ( 1.321 5.693 -9.486) 11.142 23.874 ( -14.466 -4.653 11.921) 19.314 28.994 ( 0.288 -1.308 -2.639) 2.959 29.620 ( -0.041 2.613 -2.794) 3.825 29.856 ( 3.961 0.572 -2.376) 4.654 29.962 ( -8.566 -1.152 -1.327) 8.744 30.497 ( 1.483 1.649 2.162) 3.097 30.613 ( 6.160 -3.040 7.881) 10.454 32.048 ( 8.274 9.630 13.507) 18.537 33.419 ( 2.408 -8.894 -21.257) 23.168 ======================= Grid point 333 (163/227) ======================= q-point: ( 0.40 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 8.372 4.010 -11.513) 14.789 2.773 ( 7.770 8.191 -6.821) 13.191 3.313 ( 11.834 16.626 -12.115) 23.733 4.071 ( -7.564 -5.297 15.982) 18.458 4.550 ( 13.973 15.564 9.493) 22.970 5.022 ( 0.642 -0.369 14.893) 14.912 5.270 ( 8.543 -2.876 1.681) 9.169 5.652 ( 8.520 -2.681 1.248) 9.018 5.706 ( 1.686 -0.303 -6.071) 6.308 5.937 ( -6.380 -10.954 1.906) 12.819 6.649 ( 9.600 1.928 -6.698) 11.863 6.909 ( 4.497 -3.069 -6.742) 8.665 7.609 ( 0.222 0.125 0.668) 0.715 7.780 ( -4.666 -4.660 -5.862) 8.823 8.038 ( -12.647 3.606 -2.951) 13.478 8.814 ( -6.774 -8.014 8.410) 13.448 9.263 ( -0.154 7.075 4.763) 8.531 9.622 ( 3.678 -0.225 -4.029) 5.460 10.298 ( -2.733 -3.468 -1.029) 4.534 10.575 ( -6.587 1.733 -4.732) 8.294 10.848 ( -0.134 1.407 6.481) 6.633 11.175 ( 7.233 9.472 2.608) 12.201 13.091 ( -6.280 -1.397 16.093) 17.331 13.970 ( 14.165 0.023 -19.738) 24.295 15.379 ( 1.663 0.247 -0.587) 1.781 15.544 ( -2.827 1.541 -0.719) 3.299 15.677 ( -4.346 -1.026 -6.294) 7.718 16.386 ( 2.001 -5.628 -4.862) 7.701 16.623 ( 3.937 0.577 2.824) 4.879 17.163 ( -1.645 1.627 0.019) 2.313 18.533 ( 1.487 -0.058 1.105) 1.853 18.868 ( -0.436 -2.109 1.222) 2.477 23.470 ( -7.507 7.212 2.137) 10.627 23.848 ( -4.855 -7.970 -1.857) 9.515 29.028 ( 1.874 -3.581 -0.757) 4.112 29.546 ( -1.409 4.210 -0.825) 4.516 29.821 ( -7.337 -0.429 -3.489) 8.135 29.887 ( 0.878 -0.476 -0.859) 1.317 30.542 ( 4.855 4.044 4.073) 7.518 30.791 ( 7.198 -0.846 4.751) 8.666 32.097 ( 6.276 12.745 9.868) 17.297 33.447 ( -0.064 -12.475 -14.736) 19.308 ======================= Grid point 334 (164/227) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -12.040 4.838 -8.352) 15.431 2.838 ( 17.067 12.463 3.885) 21.488 3.295 ( 20.502 15.829 -6.310) 26.659 4.037 ( -16.471 1.170 18.941) 25.128 4.493 ( 1.000 21.481 11.086) 24.193 5.052 ( -1.101 6.824 3.066) 7.562 5.546 ( 14.378 -4.308 8.798) 17.398 5.641 ( -2.134 2.087 -8.308) 8.828 5.784 ( 7.665 0.826 -2.711) 8.172 5.968 ( -8.336 -9.407 2.662) 12.848 6.709 ( 8.773 3.391 -10.852) 14.361 7.005 ( 9.119 -2.817 -3.212) 10.070 7.659 ( -0.592 -5.923 2.267) 6.370 7.728 ( -4.024 -5.200 -5.104) 8.324 7.825 ( -9.207 0.278 -2.314) 9.497 8.890 ( -8.077 -8.923 12.244) 17.169 9.211 ( 2.232 6.531 2.670) 7.400 9.648 ( 4.078 -0.600 -5.574) 6.933 10.294 ( -3.421 -4.966 -2.950) 6.713 10.448 ( -5.120 -1.114 -5.073) 7.293 10.869 ( 0.307 3.065 6.190) 6.914 11.121 ( 4.218 12.725 -1.239) 13.463 13.123 ( -7.258 -0.446 16.664) 18.182 14.016 ( 12.544 0.961 -20.857) 24.357 15.404 ( 2.656 0.323 -0.764) 2.783 15.499 ( -0.398 -2.805 -1.036) 3.017 15.648 ( -0.718 -0.653 -0.266) 1.006 16.458 ( 4.926 -3.503 -5.048) 7.875 16.696 ( 2.348 -1.620 2.531) 3.814 17.073 ( -5.171 3.597 -1.828) 6.559 18.567 ( -0.021 -0.216 4.080) 4.086 18.872 ( -1.251 -1.017 -1.405) 2.139 23.299 ( -9.787 4.877 8.071) 13.591 23.884 ( -0.501 -9.031 -7.072) 11.481 29.123 ( 3.318 -4.681 1.839) 6.025 29.489 ( -0.736 3.057 2.544) 4.044 29.701 ( -4.336 0.576 -4.157) 6.034 29.903 ( 0.003 -1.017 0.423) 1.101 30.569 ( 3.671 5.971 1.626) 7.195 30.891 ( 3.190 1.724 2.368) 4.331 32.092 ( 7.233 11.685 5.517) 14.809 33.476 ( -3.212 -9.532 -9.903) 14.116 ======================= Grid point 335 (165/227) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -3.733 8.964 6.441) 11.652 2.994 ( 15.266 11.391 11.934) 22.478 3.368 ( 21.756 21.698 0.232) 30.728 3.865 ( -16.163 2.918 9.680) 19.065 4.272 ( -7.833 21.720 18.565) 29.627 4.900 ( -5.001 10.992 0.465) 12.085 5.443 ( -8.495 8.091 -8.326) 14.386 5.676 ( -0.934 10.356 2.796) 10.768 5.879 ( 8.620 -0.547 -11.720) 14.559 6.014 ( -6.574 -12.555 9.144) 16.866 6.661 ( 7.026 5.261 -11.365) 14.360 7.187 ( 8.319 -3.880 -4.534) 10.238 7.551 ( -7.006 1.388 -3.609) 8.002 7.799 ( 1.035 -6.664 1.202) 6.850 7.886 ( 4.080 -11.661 4.298) 13.081 8.975 ( -4.693 -6.511 13.450) 15.663 9.219 ( 0.895 -0.970 0.849) 1.569 9.668 ( 3.715 -0.238 -7.962) 8.789 10.266 ( -4.270 -3.819 -3.934) 6.949 10.377 ( -3.500 -4.053 -5.606) 7.753 10.870 ( -0.488 2.639 4.575) 5.304 11.020 ( 3.970 10.263 -0.873) 11.039 13.122 ( -8.200 1.606 16.555) 18.544 14.012 ( 10.568 1.897 -22.637) 25.054 15.440 ( 3.678 0.806 -0.345) 3.781 15.598 ( 4.419 -5.232 3.617) 7.745 15.644 ( 0.536 -0.065 -0.161) 0.563 16.541 ( 7.070 -0.776 -4.284) 8.303 16.757 ( -0.516 -2.985 1.822) 3.535 16.904 ( -8.239 4.291 -3.519) 9.934 18.586 ( -2.282 0.863 6.314) 6.770 18.842 ( -0.693 0.361 -3.871) 3.949 23.195 ( -8.358 1.951 12.606) 15.250 23.945 ( 0.553 -10.283 -9.357) 13.914 29.248 ( 3.867 -2.172 4.370) 6.227 29.482 ( -0.814 0.842 4.016) 4.183 29.639 ( 1.749 0.720 -4.604) 4.977 29.921 ( -2.000 -3.177 2.267) 4.386 30.518 ( 0.453 7.479 -1.143) 7.580 30.866 ( -3.590 2.601 -0.769) 4.500 32.144 ( 13.429 9.538 5.293) 17.302 33.425 ( -6.240 -3.834 -8.480) 11.205 ======================= Grid point 336 (166/227) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 9.131 7.571 20.301) 23.512 3.089 ( 4.315 20.443 19.974) 28.905 3.435 ( 20.011 17.809 10.492) 28.770 3.683 ( -0.678 8.080 -6.267) 10.248 3.986 ( -12.753 24.727 18.333) 33.319 4.678 ( -9.068 8.789 2.101) 12.802 5.101 ( -12.457 12.047 -3.301) 17.640 5.401 ( -12.346 15.289 -3.544) 19.969 5.854 ( -1.293 -0.589 -5.273) 5.461 6.112 ( -0.717 -8.147 -7.486) 11.087 6.691 ( 7.569 1.735 -0.631) 7.791 7.162 ( -2.869 -1.454 -12.450) 12.858 7.557 ( 2.773 -4.150 -0.141) 4.994 7.816 ( -1.347 2.661 -2.891) 4.154 8.273 ( 13.659 -16.525 13.631) 25.406 9.117 ( 2.633 -4.057 10.471) 11.534 9.258 ( -5.849 -10.705 0.993) 12.239 9.626 ( 2.216 2.797 -11.047) 11.609 10.225 ( -4.425 -3.948 -0.603) 5.961 10.373 ( -0.059 -6.369 -6.011) 8.758 10.872 ( 0.080 0.622 3.350) 3.408 10.988 ( 4.049 4.755 0.082) 6.246 13.084 ( -8.581 3.493 16.614) 19.023 13.958 ( 9.051 3.007 -23.802) 25.642 15.479 ( 3.209 1.440 0.484) 3.550 15.620 ( -1.112 -0.552 -1.701) 2.106 15.830 ( 10.939 -4.084 6.657) 13.440 16.603 ( 1.777 1.694 -3.023) 3.894 16.702 ( -4.524 3.400 -4.941) 7.513 16.767 ( -4.176 -2.582 0.483) 4.934 18.557 ( -5.722 2.807 7.805) 10.077 18.796 ( 2.063 2.373 -6.170) 6.925 23.193 ( -5.539 -1.124 16.853) 17.776 24.008 ( -0.107 -11.187 -11.451) 16.008 29.327 ( 2.392 2.872 5.472) 6.626 29.495 ( -0.861 -0.824 3.510) 3.707 29.647 ( 5.800 3.741 -4.549) 8.266 29.948 ( -5.142 -5.456 0.340) 7.505 30.408 ( -1.505 5.423 0.787) 5.683 30.750 ( -5.050 1.111 -3.337) 6.154 32.339 ( 16.962 4.851 9.249) 19.920 33.267 ( -6.230 2.320 -10.592) 12.505 ======================= Grid point 337 (167/227) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 6.723 7.678 26.312) 28.222 3.019 ( 2.678 16.700 22.239) 27.940 3.475 ( -6.209 20.802 -3.065) 21.924 3.558 ( 2.008 25.129 -7.039) 26.174 3.672 ( 19.868 12.928 19.218) 30.516 4.414 ( -15.180 9.347 -3.861) 18.240 4.790 ( -10.408 11.385 5.007) 16.218 5.056 ( -6.948 8.791 3.883) 11.859 5.818 ( -2.330 -2.951 -3.085) 4.864 6.086 ( -2.207 -3.488 -11.903) 12.598 6.773 ( 4.473 3.282 4.330) 7.037 7.082 ( 1.712 -2.604 -12.290) 12.679 7.570 ( -6.982 0.686 -2.436) 7.427 7.719 ( 3.125 4.970 -5.155) 7.813 8.782 ( 11.349 -14.421 15.403) 23.959 9.215 ( 1.306 1.752 -0.644) 2.278 9.354 ( -12.075 -19.522 5.814) 23.680 9.583 ( 7.916 -2.640 -9.082) 12.333 10.245 ( -2.049 -6.161 2.078) 6.818 10.434 ( 2.938 -6.558 -5.473) 9.033 10.898 ( 0.386 0.354 2.916) 2.963 11.007 ( 2.635 -0.440 -1.658) 3.144 13.031 ( -8.014 4.540 16.996) 19.331 13.870 ( 8.797 4.545 -23.673) 25.660 15.500 ( 1.093 1.700 1.542) 2.542 15.594 ( -0.716 -0.153 -3.019) 3.107 16.079 ( 8.838 -0.582 8.020) 11.948 16.434 ( -6.753 1.210 -8.185) 10.680 16.665 ( -4.967 1.496 1.377) 5.367 16.757 ( 4.786 -0.255 -2.705) 5.503 18.472 ( -7.029 3.904 7.822) 11.218 18.758 ( 4.992 4.969 -6.538) 9.610 23.300 ( -2.866 -4.182 20.710) 21.322 24.038 ( -1.520 -10.029 -13.885) 17.195 29.320 ( -2.170 5.895 5.892) 8.612 29.516 ( -0.559 -0.061 0.672) 0.877 29.642 ( 7.278 7.806 -0.991) 10.718 29.840 ( -6.943 0.587 -6.964) 9.851 30.436 ( 0.434 -3.526 7.388) 8.198 30.690 ( 0.370 -3.010 -4.480) 5.410 32.529 ( -6.961 0.619 13.882) 15.542 33.137 ( 15.057 4.492 -16.510) 22.792 ======================= Grid point 338 (168/227) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -8.705 23.275 16.620) 29.895 2.961 ( -8.738 -0.257 13.148) 15.789 3.277 ( 8.965 15.044 -15.034) 23.081 3.457 ( 26.725 14.724 7.284) 31.370 3.844 ( -8.523 13.088 -4.342) 16.211 3.975 ( 1.660 11.161 6.230) 12.889 4.662 ( -2.084 11.295 21.689) 24.543 5.035 ( 3.707 1.364 6.522) 7.625 5.794 ( -6.023 -5.458 -3.282) 8.766 6.022 ( 1.512 -0.195 -5.696) 5.896 6.796 ( 3.233 6.693 5.536) 9.268 7.060 ( 5.375 3.089 -13.991) 15.303 7.407 ( -8.862 -0.345 1.934) 9.077 7.674 ( 1.446 3.850 -5.496) 6.864 9.072 ( -1.822 -0.531 -1.144) 2.215 9.133 ( 3.383 1.877 1.789) 4.263 9.419 ( -17.978 -25.330 -1.238) 31.086 9.810 ( 8.283 -11.252 1.459) 14.048 10.322 ( -0.115 -5.348 1.269) 5.498 10.548 ( 5.652 -7.402 -4.253) 10.238 10.891 ( -1.953 2.168 1.379) 3.227 11.046 ( 1.347 -3.390 -3.070) 4.768 12.987 ( -6.919 4.703 16.992) 18.940 13.776 ( 9.927 5.670 -22.347) 25.102 15.492 ( -1.433 0.856 1.556) 2.282 15.558 ( -0.606 1.267 -2.297) 2.692 16.090 ( -8.293 0.078 1.536) 8.434 16.426 ( 9.343 3.611 -1.617) 10.146 16.579 ( -4.485 -2.421 0.088) 5.097 16.822 ( 6.150 1.489 -1.757) 6.567 18.397 ( -4.312 2.381 7.134) 8.669 18.723 ( 6.166 7.244 -5.519) 10.998 23.496 ( -2.076 -6.740 23.508) 24.543 24.007 ( -1.817 -6.066 -14.987) 16.270 29.203 ( -6.854 6.078 4.145) 10.055 29.473 ( 2.950 6.125 -3.421) 7.610 29.683 ( 5.586 4.263 4.325) 8.251 29.756 ( 1.049 -1.518 -4.386) 4.759 30.504 ( -2.889 -1.968 5.997) 6.942 30.783 ( 7.352 -5.547 -3.945) 10.019 32.267 ( -28.719 1.890 5.252) 29.257 33.367 ( 26.968 0.155 -14.442) 30.592 ======================= Grid point 342 (169/227) ======================= q-point: ( 0.30 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -0.118 0.000 -18.376) 18.377 2.954 ( 20.527 -0.000 -4.292) 20.971 3.526 ( 6.095 -0.000 -16.750) 17.824 3.972 ( -0.275 0.000 12.758) 12.761 4.845 ( 31.799 -0.000 11.559) 33.835 4.971 ( -3.375 0.000 22.839) 23.087 5.220 ( 2.737 -0.000 1.377) 3.064 5.601 ( 7.723 -0.000 -5.617) 9.550 5.731 ( 3.497 -0.000 -4.331) 5.566 5.732 ( -5.834 0.000 4.613) 7.437 6.727 ( 15.984 -0.000 -6.606) 17.296 6.812 ( -2.431 0.000 -7.021) 7.429 7.643 ( -1.770 0.000 -2.882) 3.382 7.688 ( -5.314 0.000 -7.509) 9.200 8.112 ( -13.052 0.000 -0.624) 13.067 8.691 ( -9.117 0.000 8.439) 12.423 9.361 ( 1.452 -0.000 5.593) 5.778 9.621 ( 3.691 -0.000 -2.861) 4.670 10.253 ( -4.055 0.000 -1.129) 4.210 10.587 ( -8.956 0.000 -8.323) 12.226 10.872 ( 0.558 -0.000 9.909) 9.924 11.311 ( 8.345 -0.000 6.584) 10.630 13.069 ( -5.890 0.000 15.135) 16.241 13.969 ( 14.609 -0.000 -19.452) 24.327 15.382 ( 1.681 -0.000 -0.714) 1.827 15.593 ( 0.358 -0.000 3.971) 3.988 15.640 ( -10.845 0.000 -13.397) 17.236 16.295 ( 3.249 -0.000 -3.653) 4.889 16.645 ( 4.277 -0.000 1.120) 4.421 17.180 ( -0.757 0.000 0.806) 1.106 18.534 ( 3.158 -0.000 -3.379) 4.625 18.836 ( -1.294 0.000 5.233) 5.391 23.648 ( -21.047 0.000 14.218) 25.399 23.660 ( 7.259 -0.000 -14.980) 16.646 28.981 ( 1.615 -0.000 -1.616) 2.285 29.616 ( -0.113 0.000 -3.402) 3.404 29.811 ( -8.890 0.000 0.416) 8.900 29.867 ( 0.231 -0.000 -2.001) 2.014 30.601 ( 5.930 -0.000 3.452) 6.862 30.773 ( 9.031 -0.000 6.763) 11.282 32.316 ( 3.157 -0.000 17.921) 18.197 33.233 ( 3.373 -0.000 -22.916) 23.162 ======================= Grid point 343 (170/227) ======================= q-point: ( 0.40 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -6.977 -0.286 -9.812) 12.043 3.138 ( 16.007 9.020 -2.781) 18.583 3.529 ( 12.900 3.961 -9.677) 16.606 4.070 ( -3.002 0.344 15.442) 15.735 4.980 ( -1.792 14.510 16.947) 22.382 5.162 ( 3.591 2.807 0.120) 4.560 5.397 ( 8.233 -4.911 17.663) 20.097 5.649 ( 5.953 -0.349 -13.880) 15.107 5.734 ( 0.949 -6.296 -2.630) 6.889 5.836 ( 11.288 -0.277 0.283) 11.295 6.766 ( 6.863 1.935 -4.981) 8.698 6.934 ( 11.680 -3.197 -7.324) 14.152 7.506 ( -9.984 -3.235 -4.875) 11.571 7.606 ( -2.067 -3.054 -4.760) 6.022 7.945 ( -8.777 4.544 2.238) 10.133 8.674 ( -7.980 -6.262 10.940) 14.918 9.374 ( -0.845 4.524 4.118) 6.176 9.646 ( 3.372 0.097 -4.339) 5.496 10.193 ( -4.256 -2.409 -2.242) 5.380 10.404 ( -8.408 -1.583 -8.152) 11.818 10.936 ( 0.156 1.719 8.591) 8.762 11.401 ( 4.866 7.432 2.193) 9.150 13.095 ( -6.586 -1.146 15.936) 17.281 14.028 ( 12.500 0.167 -20.174) 23.734 15.404 ( 1.567 -0.230 -1.534) 2.204 15.464 ( -1.684 -0.284 -4.422) 4.741 15.627 ( -0.301 -0.775 2.487) 2.622 16.350 ( 5.087 -3.168 -4.187) 7.311 16.702 ( 3.856 0.728 -0.238) 3.932 17.137 ( -4.161 1.379 -1.115) 4.523 18.561 ( 2.833 -0.088 -1.373) 3.149 18.841 ( -3.186 -1.023 3.457) 4.811 23.416 ( -16.218 3.965 10.744) 19.854 23.701 ( 4.698 -5.211 -11.924) 13.835 29.028 ( 3.253 -2.218 1.342) 4.159 29.574 ( -0.103 2.755 -1.343) 3.066 29.705 ( -6.211 0.154 0.600) 6.242 29.863 ( -0.721 -1.896 -0.896) 2.218 30.689 ( 5.308 2.991 1.672) 6.318 30.916 ( 5.125 0.421 2.030) 5.528 32.389 ( 0.744 9.973 15.195) 18.191 33.210 ( 3.864 -9.387 -17.193) 19.966 ======================= Grid point 344 (171/227) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 1.580 4.138 3.841) 5.863 3.215 ( 10.960 8.130 1.477) 13.726 3.671 ( 17.869 3.427 -3.495) 18.528 4.049 ( -6.569 10.558 18.384) 22.194 4.795 ( -8.633 18.114 12.942) 23.878 5.121 ( -1.105 6.284 -2.081) 6.711 5.527 ( -4.343 -2.404 -6.919) 8.515 5.681 ( -5.274 -8.435 9.971) 14.085 5.838 ( 12.006 -0.765 -10.550) 16.001 5.952 ( 8.927 8.307 -1.847) 12.333 6.812 ( 6.502 4.730 -7.341) 10.888 7.063 ( 8.263 -4.582 -3.590) 10.107 7.504 ( -0.131 -10.323 1.319) 10.408 7.573 ( -5.588 -2.173 -4.031) 7.225 7.817 ( -0.882 2.201 4.283) 4.895 8.745 ( -6.872 -9.256 10.949) 15.899 9.309 ( -1.673 5.241 2.094) 5.887 9.658 ( 3.046 -0.320 -5.610) 6.391 10.153 ( -3.915 -4.279 -3.888) 6.982 10.271 ( -6.891 -4.108 -7.421) 10.928 10.953 ( -1.316 3.137 6.756) 7.564 11.316 ( 1.466 11.653 -2.856) 12.087 13.126 ( -7.180 -0.967 16.494) 18.014 14.038 ( 9.731 0.424 -21.530) 23.631 15.453 ( 5.203 0.003 0.493) 5.226 15.503 ( 4.927 -2.220 2.937) 6.150 15.639 ( -0.723 -0.352 1.473) 1.678 16.454 ( 5.991 -4.531 -3.715) 8.380 16.737 ( 2.591 0.567 -1.404) 3.001 17.004 ( -7.629 3.317 -3.348) 8.967 18.595 ( 1.140 0.196 2.121) 2.416 18.822 ( -3.144 -1.582 0.305) 3.532 23.246 ( -12.993 2.014 12.608) 18.217 23.751 ( 4.864 -5.570 -12.285) 14.339 29.150 ( 4.888 -3.994 4.660) 7.847 29.540 ( -0.595 3.056 2.676) 4.105 29.638 ( -1.430 -0.246 -2.243) 2.672 29.870 ( -2.026 -2.232 0.268) 3.027 30.694 ( 2.393 6.042 -1.033) 6.580 30.925 ( -1.577 2.023 -2.783) 3.785 32.389 ( 4.053 9.723 12.405) 16.274 33.266 ( 1.842 -7.946 -12.090) 14.584 ======================= Grid point 345 (172/227) ======================= q-point: (-0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 13.103 9.872 13.330) 21.139 3.279 ( -0.728 1.895 7.745) 8.007 3.856 ( 9.243 4.343 4.062) 10.990 3.972 ( 13.099 20.792 12.999) 27.800 4.529 ( -10.081 17.620 15.588) 25.595 4.929 ( -6.221 11.424 -6.385) 14.491 5.344 ( -9.665 6.204 -6.529) 13.211 5.691 ( -12.955 -1.387 0.444) 13.036 5.805 ( -5.191 4.727 0.305) 7.028 5.973 ( 11.017 -0.778 -14.331) 18.093 6.787 ( 6.033 5.785 -1.619) 8.514 7.137 ( -0.819 -1.232 -9.805) 9.916 7.473 ( -2.860 -1.951 2.093) 4.046 7.735 ( 5.300 -9.247 0.981) 10.704 7.972 ( 11.682 -6.699 10.670) 17.181 8.836 ( -7.462 -11.305 7.176) 15.329 9.254 ( -0.217 2.958 1.903) 3.524 9.657 ( 2.184 -0.202 -7.355) 7.675 10.117 ( -4.762 -4.406 -3.994) 7.618 10.206 ( -3.128 -6.714 -6.682) 9.976 10.930 ( -1.395 3.409 5.219) 6.388 11.172 ( 0.960 9.357 -3.787) 10.140 13.137 ( -7.807 0.761 16.691) 18.442 14.001 ( 8.094 0.839 -22.238) 23.680 15.512 ( 4.040 1.173 -0.073) 4.207 15.606 ( -1.229 -0.325 0.895) 1.555 15.748 ( 12.521 -2.763 8.265) 15.255 16.563 ( 3.301 -4.237 -3.649) 6.493 16.739 ( 0.573 0.767 -2.745) 2.908 16.799 ( -8.943 3.722 -4.220) 10.566 18.604 ( -3.538 1.372 6.571) 7.588 18.806 ( 0.827 -1.486 -3.987) 4.335 23.171 ( -9.429 -0.537 15.171) 17.870 23.802 ( 4.667 -5.874 -12.807) 14.842 29.314 ( 4.487 -3.021 6.873) 8.746 29.512 ( -1.598 2.026 3.360) 4.237 29.664 ( 6.016 -1.863 -2.972) 6.964 29.853 ( -4.725 -2.137 0.978) 5.277 30.600 ( -1.128 8.286 -2.221) 8.653 30.801 ( -5.363 3.074 -5.593) 8.336 32.467 ( 5.465 5.119 13.797) 15.698 33.262 ( 1.737 -2.065 -13.064) 13.339 ======================= Grid point 346 (173/227) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 10.244 9.315 18.596) 23.184 3.208 ( -8.617 2.131 5.118) 10.247 3.984 ( 12.655 12.216 16.376) 24.033 4.018 ( 9.338 20.486 7.639) 23.775 4.296 ( 3.702 25.782 4.125) 26.372 4.584 ( -14.703 7.439 -8.318) 18.458 5.060 ( -11.118 9.329 3.445) 14.917 5.332 ( -15.854 12.097 -2.563) 20.106 5.736 ( -6.622 -3.938 -0.985) 7.767 6.034 ( 9.194 -0.463 -12.764) 15.737 6.826 ( 4.883 2.298 1.760) 5.676 7.033 ( -0.919 -0.163 -9.350) 9.396 7.527 ( -1.435 -3.771 3.866) 5.588 7.800 ( 0.426 -0.097 -4.439) 4.460 8.416 ( 12.004 -12.770 16.166) 23.844 8.895 ( -8.084 -15.346 -2.451) 17.517 9.273 ( 2.931 1.616 5.180) 6.167 9.610 ( 1.576 1.683 -9.724) 9.994 10.089 ( -4.502 -5.827 0.100) 7.364 10.247 ( 1.872 -8.370 -6.385) 10.692 10.921 ( 0.117 1.958 4.332) 4.755 11.069 ( 0.732 5.215 -3.663) 6.415 13.121 ( -7.917 2.572 17.186) 19.096 13.943 ( 8.126 1.713 -22.153) 23.658 15.539 ( 0.746 1.429 0.759) 1.782 15.587 ( -0.226 -0.212 -1.364) 1.398 16.053 ( 13.683 -1.398 9.966) 16.986 16.463 ( -9.905 1.017 -9.430) 13.714 16.680 ( -6.075 -0.041 0.054) 6.076 16.750 ( 6.381 -0.255 -2.972) 7.044 18.550 ( -7.279 2.476 8.267) 11.290 18.826 ( 5.207 0.320 -5.711) 7.735 23.199 ( -6.436 -3.681 17.493) 19.000 23.845 ( 4.296 -5.690 -13.354) 15.138 29.412 ( 0.328 1.452 6.208) 6.384 29.505 ( -0.486 0.011 2.769) 2.811 29.774 ( 2.615 1.908 -1.515) 3.575 29.809 ( 0.636 -3.708 -2.478) 4.505 30.471 ( -0.862 6.287 1.805) 6.598 30.658 ( -3.870 1.144 -5.805) 7.070 32.556 ( -6.694 1.348 15.728) 17.147 33.224 ( 11.649 2.534 -17.183) 20.914 ======================= Grid point 347 (174/227) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -8.206 2.321 16.759) 18.804 3.145 ( -2.422 9.493 2.559) 10.125 3.636 ( -7.229 24.463 -2.106) 25.596 4.065 ( 2.231 18.556 -0.994) 18.716 4.178 ( -9.161 14.469 -5.366) 17.946 4.240 ( 14.002 14.138 8.174) 21.512 4.928 ( -1.692 8.223 19.016) 20.787 5.106 ( -0.652 4.716 4.450) 6.517 5.681 ( -4.599 -3.042 -2.745) 6.159 6.064 ( 6.974 3.272 -7.152) 10.512 6.869 ( 2.128 0.391 0.867) 2.331 7.031 ( 6.003 -3.201 -9.058) 11.328 7.486 ( -8.352 3.920 5.274) 10.627 7.767 ( 2.293 2.511 -5.158) 6.178 8.676 ( -15.413 -20.857 4.564) 26.333 9.035 ( 6.195 -9.809 1.172) 11.660 9.291 ( -2.602 5.060 1.408) 5.862 9.617 ( 9.323 -3.958 -6.451) 12.008 10.140 ( -1.972 -8.019 3.310) 8.897 10.358 ( 4.757 -8.342 -5.887) 11.264 10.941 ( 0.930 0.656 2.563) 2.804 11.002 ( -0.566 2.277 -3.506) 4.219 13.094 ( -7.533 3.721 17.755) 19.643 13.884 ( 9.288 3.014 -21.678) 23.776 15.508 ( -2.846 0.450 -0.069) 2.882 15.589 ( 1.532 1.197 -0.939) 2.159 16.104 ( -11.797 0.928 -2.554) 12.106 16.449 ( 14.076 -1.321 0.295) 14.141 16.567 ( -8.033 1.166 1.053) 8.186 16.832 ( 5.715 -0.703 -2.224) 6.172 18.469 ( -6.622 2.916 8.172) 10.915 18.855 ( 6.668 3.007 -5.548) 9.181 23.316 ( -4.925 -7.178 18.611) 20.546 23.875 ( 4.278 -4.370 -12.900) 14.276 29.365 ( -6.483 5.942 5.612) 10.433 29.523 ( 0.249 -0.164 1.199) 1.235 29.702 ( -2.733 -2.399 -6.105) 7.106 29.870 ( 8.245 7.168 0.057) 10.925 30.491 ( 1.994 1.438 5.137) 5.695 30.615 ( 2.542 -5.848 -3.780) 7.413 32.367 ( -24.195 5.312 7.958) 26.018 33.363 ( 22.370 -0.401 -13.823) 26.299 ======================= Grid point 348 (175/227) ======================= q-point: (-0.10 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -15.810 23.945 4.261) 29.008 2.764 ( -6.863 -6.007 -3.820) 9.888 3.458 ( -7.241 8.745 -15.503) 19.217 3.661 ( -2.315 9.596 -1.432) 9.975 4.034 ( 8.960 15.789 9.155) 20.332 4.420 ( 16.731 13.243 14.814) 25.976 4.994 ( 2.303 7.350 18.553) 20.089 5.166 ( 7.114 3.103 5.603) 9.573 5.643 ( -2.431 -2.368 -2.460) 4.192 6.075 ( 4.872 3.445 -1.066) 6.062 6.917 ( 5.853 0.588 -3.841) 7.025 7.039 ( -1.444 1.353 -8.773) 8.993 7.398 ( -0.782 2.647 11.221) 11.555 7.696 ( -1.296 5.358 -3.574) 6.570 8.681 ( -18.431 -25.436 -8.180) 32.459 9.116 ( -6.783 6.364 -3.077) 9.797 9.225 ( 3.483 -2.907 6.177) 7.664 9.799 ( 6.211 -6.564 -2.817) 9.465 10.254 ( 0.150 -7.541 2.444) 7.929 10.500 ( 5.829 -8.274 -5.021) 11.298 10.900 ( -2.742 4.913 -1.324) 5.780 10.988 ( 0.153 -3.512 -2.156) 4.124 13.064 ( -7.178 4.231 17.637) 19.506 13.833 ( 10.825 4.173 -21.100) 24.079 15.456 ( -3.182 -0.127 -0.916) 3.314 15.577 ( 0.069 2.301 0.515) 2.359 15.926 ( -8.339 -3.377 -3.490) 9.650 16.446 ( -7.581 -0.751 1.196) 7.712 16.659 ( 11.247 3.123 0.961) 11.712 16.906 ( 5.598 -0.818 -1.403) 5.829 18.416 ( -3.856 1.959 7.658) 8.795 18.863 ( 6.442 5.463 -4.925) 9.777 23.474 ( -5.380 -9.752 15.026) 18.704 23.903 ( 4.666 -2.126 -7.590) 9.160 29.200 ( -7.539 6.597 3.625) 10.653 29.533 ( 2.027 0.986 -0.987) 2.461 29.685 ( 1.371 -2.192 -5.571) 6.142 29.914 ( 5.597 4.829 5.364) 9.133 30.495 ( -0.774 -0.388 0.025) 0.866 30.817 ( 11.348 -6.702 -0.072) 13.180 31.903 ( -29.388 7.886 1.377) 30.458 33.599 ( 18.610 -1.069 -12.368) 22.371 ======================= Grid point 353 (176/227) ======================= q-point: ( 0.40 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 4.276 -0.000 4.051) 5.891 3.345 ( 8.765 -0.000 -4.985) 10.084 3.695 ( 12.511 -0.000 -1.405) 12.589 4.195 ( 2.610 -0.000 15.800) 16.014 5.060 ( -12.097 0.000 2.483) 12.350 5.152 ( -7.210 0.000 18.971) 20.295 5.475 ( 2.464 -0.000 -10.032) 10.330 5.590 ( -7.113 0.000 4.167) 8.243 5.818 ( 14.828 -0.000 -11.135) 18.543 6.095 ( 17.824 -0.000 -2.108) 17.949 6.839 ( 6.503 -0.000 -1.625) 6.703 7.023 ( 8.070 -0.000 -7.449) 10.982 7.364 ( -0.698 0.000 1.469) 1.626 7.531 ( -1.927 0.000 -3.424) 3.929 7.869 ( -7.333 0.000 3.090) 7.958 8.615 ( -5.011 0.000 10.082) 11.259 9.387 ( -4.390 0.000 2.684) 5.145 9.654 ( 2.305 -0.000 -5.428) 5.898 10.096 ( -4.041 0.000 -3.251) 5.186 10.212 ( -7.312 0.000 -8.397) 11.135 10.995 ( -1.687 0.000 7.540) 7.726 11.479 ( -0.606 0.000 -2.890) 2.953 13.106 ( -6.634 0.000 16.411) 17.701 14.042 ( 9.474 -0.000 -21.209) 23.229 15.443 ( 6.819 -0.000 3.306) 7.578 15.486 ( 4.106 -0.000 0.331) 4.119 15.633 ( -1.187 0.000 2.311) 2.598 16.390 ( 6.675 -0.000 -4.148) 7.858 16.747 ( 2.981 -0.000 -2.535) 3.913 17.048 ( -7.256 0.000 -3.229) 7.942 18.599 ( 3.868 -0.000 -1.641) 4.202 18.795 ( -5.627 0.000 3.752) 6.763 23.275 ( -16.340 0.000 13.823) 21.403 23.680 ( 8.201 -0.000 -14.492) 16.651 29.097 ( 5.118 -0.000 4.635) 6.905 29.586 ( 1.425 -0.000 -2.045) 2.493 29.640 ( -5.575 0.000 3.749) 6.719 29.826 ( -1.235 0.000 -1.605) 2.025 30.775 ( 2.954 -0.000 -0.829) 3.068 30.952 ( -0.219 0.000 -3.234) 3.241 32.540 ( -5.288 0.000 19.150) 19.867 33.134 ( 10.550 -0.000 -17.541) 20.469 ======================= Grid point 354 (177/227) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 17.146 2.904 12.609) 21.480 3.356 ( 0.918 4.047 -3.672) 5.541 3.881 ( 8.635 -1.225 7.744) 11.664 4.346 ( 10.383 8.525 15.286) 20.351 4.817 ( -15.108 6.054 1.311) 16.329 5.134 ( -9.133 2.690 10.782) 14.384 5.395 ( -3.981 0.696 -8.387) 9.310 5.557 ( -4.398 -3.097 3.812) 6.592 5.871 ( 3.696 -0.454 -14.346) 14.821 6.138 ( 2.109 7.726 -9.194) 12.193 6.913 ( 4.814 2.928 0.297) 5.643 7.089 ( 4.230 -1.521 -3.895) 5.948 7.464 ( -2.004 0.364 0.354) 2.068 7.519 ( 8.510 -5.674 1.101) 10.287 7.875 ( 4.626 -1.972 8.799) 10.135 8.643 ( -3.684 -4.143 5.018) 7.478 9.313 ( -5.517 1.393 2.852) 6.365 9.639 ( 1.023 -0.783 -6.561) 6.687 10.030 ( -3.101 -2.164 -4.254) 5.691 10.083 ( -4.487 -2.691 -7.394) 9.058 11.001 ( -2.620 1.759 6.859) 7.550 11.373 ( -3.088 5.257 -6.032) 8.577 13.133 ( -6.685 -0.529 16.928) 18.207 14.011 ( 7.780 0.126 -21.561) 22.922 15.533 ( 4.154 0.472 -0.216) 4.186 15.613 ( -1.215 0.797 2.154) 2.598 15.688 ( 13.016 -1.943 10.287) 16.704 16.472 ( 5.811 -2.243 -4.247) 7.540 16.754 ( 1.554 0.344 -4.088) 4.387 16.874 ( -10.228 1.847 -5.309) 11.671 18.640 ( 1.666 1.544 1.469) 2.705 18.746 ( -3.993 -2.563 0.952) 4.839 23.165 ( -12.283 -0.061 14.764) 19.206 23.709 ( 7.983 -1.823 -14.231) 16.419 29.243 ( 6.856 -1.864 7.381) 10.245 29.572 ( -3.258 2.367 3.414) 5.280 29.619 ( 2.203 -1.412 -1.345) 2.942 29.797 ( -3.082 -2.046 -2.092) 4.250 30.758 ( -0.451 3.713 -2.378) 4.432 30.872 ( -3.869 1.912 -5.916) 7.323 32.568 ( -5.152 2.515 17.831) 18.730 33.203 ( 11.064 -1.842 -15.166) 18.863 ======================= Grid point 355 (178/227) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 16.208 9.515 9.774) 21.184 3.234 ( -7.794 2.184 0.320) 8.101 4.109 ( 9.471 -1.150 15.026) 17.799 4.459 ( -3.499 11.899 9.231) 15.461 4.589 ( 4.961 6.428 2.651) 8.541 4.948 ( -7.962 13.836 -1.182) 16.007 5.198 ( -14.628 2.502 0.263) 14.843 5.539 ( -8.463 3.079 3.132) 9.534 5.694 ( -8.561 1.853 -6.213) 10.739 6.056 ( 9.488 1.906 -14.070) 17.077 6.922 ( 2.790 5.099 1.556) 6.017 7.070 ( -0.583 1.777 -6.857) 7.107 7.434 ( -2.817 -2.147 5.216) 6.305 7.709 ( 4.081 -6.030 -3.881) 8.251 8.187 ( 15.543 -6.113 14.281) 21.975 8.636 ( -5.892 -5.982 -4.612) 9.580 9.281 ( -1.921 -0.899 6.345) 6.690 9.610 ( 0.051 -1.312 -7.539) 7.653 9.985 ( -2.661 -2.508 -3.220) 4.872 10.060 ( 0.351 -6.057 -5.756) 8.363 10.987 ( -1.673 2.883 6.720) 7.502 11.222 ( -1.412 5.977 -5.469) 8.223 13.157 ( -7.050 0.487 17.278) 18.667 13.966 ( 7.701 0.350 -21.341) 22.691 15.569 ( -0.942 1.001 0.702) 1.543 15.587 ( 1.037 0.186 -0.116) 1.060 16.015 ( 15.073 -1.492 12.135) 19.409 16.473 ( -5.799 -0.181 -9.690) 11.294 16.688 ( -5.417 0.820 -2.056) 5.852 16.742 ( 2.369 -0.384 -4.187) 4.826 18.603 ( -5.921 2.131 5.925) 8.643 18.784 ( 4.030 -3.219 -3.134) 6.036 23.131 ( -8.868 -1.807 15.657) 18.084 23.750 ( 7.764 -2.351 -14.005) 16.185 29.415 ( 5.295 -0.595 7.304) 9.041 29.524 ( -2.779 1.398 3.171) 4.442 29.695 ( 1.061 -4.060 -1.043) 4.324 29.756 ( 0.280 -2.636 -3.139) 4.108 30.653 ( -2.285 6.644 -1.203) 7.128 30.734 ( -3.926 3.818 -5.023) 7.431 32.585 ( -7.987 0.898 16.768) 18.595 33.264 ( 12.273 0.812 -16.348) 20.458 ======================= Grid point 356 (179/227) ======================= q-point: (-0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -12.652 7.527 5.113) 15.584 3.275 ( 10.304 3.029 0.726) 10.765 4.184 ( -17.203 6.184 5.305) 19.035 4.284 ( -11.531 10.770 -1.264) 15.829 4.495 ( 6.233 13.923 5.467) 16.204 4.725 ( 7.433 17.905 -6.199) 20.354 5.026 ( -10.869 1.365 19.171) 22.080 5.259 ( -8.498 7.648 1.739) 11.565 5.670 ( 1.648 1.259 2.773) 3.463 6.122 ( 11.141 0.145 -9.745) 14.802 6.911 ( 1.913 3.891 0.588) 4.376 6.986 ( 0.632 0.309 -7.587) 7.620 7.490 ( -3.618 -3.912 8.523) 10.051 7.746 ( 0.516 -3.610 -6.674) 7.606 8.368 ( -12.351 -3.927 -0.832) 12.987 8.757 ( 13.340 -11.441 2.167) 17.707 9.352 ( 1.144 -0.794 6.768) 6.909 9.565 ( 1.246 -1.232 -8.784) 8.957 9.991 ( -0.653 -3.686 1.509) 4.037 10.145 ( 3.941 -8.346 -4.820) 10.412 10.974 ( -1.263 3.109 5.088) 6.095 11.120 ( 1.421 5.516 -3.451) 6.660 13.162 ( -7.371 1.829 17.797) 19.350 13.927 ( 8.609 0.663 -20.914) 22.626 15.519 ( -3.622 0.468 -0.045) 3.652 15.615 ( 2.234 0.860 0.004) 2.393 16.137 ( -12.173 1.882 -5.563) 13.516 16.391 ( 9.178 -3.196 1.744) 9.873 16.609 ( -2.592 2.089 0.378) 3.350 16.796 ( 4.660 -1.968 -2.567) 5.672 18.528 ( -6.605 1.944 6.831) 9.698 18.866 ( 5.847 -1.748 -3.785) 7.181 23.169 ( -6.820 -4.483 15.918) 17.888 23.795 ( 7.879 -2.250 -13.144) 15.489 29.477 ( -2.785 3.515 4.757) 6.538 29.509 ( -0.197 -0.654 3.309) 3.379 29.630 ( -5.105 -3.199 -5.864) 8.407 29.916 ( 9.278 -3.884 -1.391) 10.154 30.567 ( 1.419 4.834 4.149) 6.526 30.606 ( -2.443 4.295 -2.998) 5.780 32.490 ( -16.489 4.201 11.856) 20.739 33.351 ( 16.464 -0.578 -15.480) 22.606 ======================= Grid point 357 (180/227) ======================= q-point: (-0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -9.030 0.597 -0.813) 9.086 3.212 ( -13.843 13.409 1.213) 19.310 3.719 ( -18.659 10.943 -20.319) 29.678 3.903 ( -5.152 13.828 8.213) 16.888 4.431 ( -5.446 16.269 10.029) 19.873 4.703 ( 14.310 7.626 6.099) 17.325 5.010 ( -9.659 -2.353 15.095) 18.075 5.270 ( 8.636 3.670 7.457) 11.985 5.686 ( 2.982 4.959 2.375) 6.255 6.197 ( 8.195 4.208 -3.604) 9.892 6.881 ( 1.392 -1.182 -6.626) 6.873 7.005 ( 3.001 -2.418 -5.009) 6.320 7.501 ( -3.096 2.692 9.500) 10.348 7.770 ( 1.797 -2.269 -4.494) 5.345 8.171 ( -18.106 -10.876 -6.073) 21.977 9.072 ( 6.117 -8.236 6.039) 11.905 9.307 ( -3.918 6.726 -2.480) 8.169 9.651 ( 9.582 -6.527 -6.115) 13.108 10.073 ( 0.831 -5.215 5.022) 7.288 10.294 ( 5.761 -8.559 -3.679) 10.954 10.950 ( -0.810 1.484 1.287) 2.125 11.052 ( 0.814 6.727 -1.921) 7.044 13.152 ( -7.753 2.797 18.173) 19.954 13.903 ( 9.928 1.363 -20.565) 22.877 15.457 ( -3.722 0.218 -0.658) 3.786 15.625 ( 1.034 1.527 0.148) 1.850 15.870 ( -12.187 -1.197 -8.295) 14.790 16.431 ( -7.413 -0.857 0.800) 7.505 16.713 ( 13.051 0.916 4.629) 13.878 16.859 ( 2.979 -2.057 -2.825) 4.592 18.468 ( -5.177 1.884 7.496) 9.303 18.933 ( 5.630 0.280 -4.371) 7.133 23.259 ( -6.097 -7.297 14.273) 17.150 23.853 ( 8.164 -1.764 -9.944) 12.986 29.349 ( -9.787 4.248 3.510) 11.232 29.538 ( 1.650 0.280 0.360) 1.712 29.611 ( 1.387 -3.492 -5.255) 6.460 30.003 ( 2.141 1.129 -1.108) 2.662 30.510 ( -1.831 2.311 -2.524) 3.881 30.695 ( 11.020 -1.794 7.539) 13.472 32.159 ( -22.590 11.183 4.444) 25.595 33.533 ( 16.587 -3.977 -12.023) 20.868 ======================= Grid point 358 (181/227) ======================= q-point: (-0.10 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -4.001 2.225 -9.929) 10.934 2.740 ( -15.355 12.815 4.412) 20.481 3.183 ( -15.520 8.065 -21.929) 28.050 3.874 ( 0.306 5.317 17.483) 18.276 4.318 ( 0.953 10.183 10.673) 14.782 4.840 ( 9.389 5.233 4.572) 11.681 5.040 ( -5.602 -4.049 11.745) 13.628 5.390 ( 7.380 4.854 5.383) 10.344 5.682 ( 3.457 4.660 1.086) 5.903 6.208 ( 4.184 5.977 0.598) 7.320 6.883 ( 2.787 -3.515 -17.574) 18.137 6.987 ( -4.760 -0.555 2.580) 5.442 7.543 ( 5.739 4.407 6.847) 9.962 7.722 ( -2.242 4.001 0.454) 4.609 8.121 ( -10.339 -19.959 -2.860) 22.659 9.106 ( -4.487 9.446 -4.852) 11.528 9.235 ( -0.741 -5.707 6.033) 8.337 9.793 ( 6.062 -3.090 -8.482) 10.874 10.200 ( 1.228 -6.014 4.937) 7.877 10.457 ( 5.956 -7.583 -3.483) 10.252 10.906 ( -2.984 5.250 -1.837) 6.311 10.963 ( 0.334 1.730 -2.179) 2.802 13.127 ( -8.139 3.270 17.842) 19.882 13.886 ( 11.028 2.311 -20.598) 23.478 15.401 ( -2.959 -0.274 -0.730) 3.060 15.608 ( -0.486 2.297 0.737) 2.461 15.737 ( -5.247 -5.723 -4.409) 8.929 16.347 ( -5.270 -0.978 1.743) 5.636 16.831 ( 3.367 4.810 -0.306) 5.880 16.951 ( 6.946 -4.234 -0.304) 8.141 18.442 ( -3.131 1.354 7.926) 8.629 18.957 ( 4.344 2.332 -4.829) 6.901 23.357 ( -5.826 -8.651 9.088) 13.834 23.938 ( 7.039 -1.143 -3.042) 7.753 29.188 ( -7.111 4.324 3.131) 8.892 29.559 ( 2.389 0.105 -2.438) 3.415 29.647 ( 2.352 -2.476 -2.968) 4.525 30.000 ( -1.120 -0.681 1.674) 2.127 30.459 ( -1.024 -0.261 -2.486) 2.701 30.953 ( 11.645 -3.096 1.288) 12.118 31.678 ( -20.886 14.545 3.723) 25.722 33.717 ( 12.276 -3.040 -10.672) 16.548 ======================= Grid point 364 (182/227) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 17.643 -0.000 9.229) 19.911 3.323 ( -3.980 0.000 -7.874) 8.823 4.046 ( 3.367 -0.000 20.240) 20.518 4.576 ( -17.152 0.000 -7.926) 18.895 4.713 ( 16.750 -0.000 12.992) 21.198 5.082 ( -13.821 -0.000 19.128) 23.599 5.258 ( -7.048 -0.000 -13.500) 15.229 5.558 ( 1.066 0.000 7.179) 7.258 5.728 ( -10.075 -0.000 -10.800) 14.770 6.093 ( 1.999 -0.000 -14.408) 14.546 7.002 ( 2.057 0.000 2.981) 3.622 7.086 ( -0.454 -0.000 -3.579) 3.608 7.432 ( -3.873 -0.000 1.555) 4.173 7.606 ( 6.979 -0.000 -2.651) 7.466 8.112 ( 17.222 -0.000 13.506) 21.886 8.568 ( -4.640 -0.000 -5.723) 7.367 9.260 ( -5.290 -0.000 6.799) 8.615 9.587 ( -0.051 0.000 -7.046) 7.047 9.958 ( -1.021 -0.000 -3.767) 3.903 9.980 ( -0.541 0.000 -6.048) 6.072 11.029 ( -1.893 -0.000 8.039) 8.259 11.305 ( -3.200 -0.000 -6.042) 6.837 13.160 ( -6.362 -0.000 17.398) 18.525 13.969 ( 7.525 -0.000 -21.284) 22.575 15.584 ( -3.489 0.000 0.822) 3.585 15.590 ( 3.155 -0.000 0.209) 3.162 15.994 ( 15.348 -0.000 13.215) 20.254 16.468 ( -1.856 -0.000 -9.331) 9.514 16.703 ( -6.565 -0.000 -3.599) 7.487 16.736 ( 0.432 -0.000 -4.678) 4.698 18.648 ( -6.783 -0.000 2.940) 7.393 18.718 ( 5.001 -0.000 -0.286) 5.009 23.109 ( -9.672 -0.000 15.086) 17.921 23.722 ( 8.859 -0.000 -14.270) 16.796 29.404 ( 7.543 -0.000 8.901) 11.667 29.553 ( -3.380 0.000 3.219) 4.668 29.640 ( 1.331 -0.000 -1.137) 1.750 29.709 ( -2.183 -0.000 -5.259) 5.694 30.741 ( -2.431 -0.000 -1.635) 2.929 30.789 ( -3.587 -0.000 -4.462) 5.725 32.596 ( -8.685 -0.000 17.066) 19.149 33.272 ( 12.954 -0.000 -15.841) 20.464 ======================= Grid point 366 (183/227) ======================= q-point: (-0.40 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -11.699 6.821 -7.501) 15.481 3.313 ( 9.337 -0.042 1.444) 9.448 4.221 ( -18.149 1.067 -1.616) 18.252 4.303 ( -0.501 -4.587 17.336) 17.940 4.867 ( -3.392 9.903 4.130) 11.253 4.987 ( -10.754 3.892 -9.101) 14.616 5.111 ( 6.809 4.279 16.076) 17.975 5.441 ( -13.989 5.682 -2.415) 15.291 5.675 ( 2.765 -1.130 10.668) 11.078 6.086 ( 8.706 -1.600 -11.468) 14.487 7.001 ( -1.641 2.576 -0.843) 3.169 7.030 ( -1.641 1.161 -2.221) 2.996 7.395 ( -4.341 -1.612 4.373) 6.370 7.661 ( 2.040 -2.448 -5.857) 6.668 8.375 ( -4.498 2.411 -8.221) 9.677 8.523 ( 14.860 -6.770 4.403) 16.913 9.290 ( -1.269 -2.406 9.927) 10.293 9.548 ( 0.811 -0.323 -6.340) 6.400 9.942 ( 1.394 -0.694 -1.544) 2.193 9.987 ( 2.852 -3.820 -3.904) 6.161 11.064 ( 0.095 2.850 9.070) 9.508 11.223 ( -0.238 2.284 -4.220) 4.804 13.188 ( -6.779 0.427 17.698) 18.957 13.930 ( 7.875 -0.137 -21.074) 22.498 15.529 ( -4.046 0.308 0.320) 4.070 15.629 ( 2.048 0.306 0.615) 2.160 16.200 ( -9.810 3.196 -7.581) 12.803 16.299 ( 3.717 -3.993 1.454) 5.646 16.664 ( 1.477 2.109 -0.455) 2.615 16.745 ( 3.829 -1.914 -1.505) 4.538 18.567 ( -5.944 1.104 3.480) 6.976 18.806 ( 5.124 -2.098 -0.630) 5.573 23.098 ( -7.722 -1.396 14.822) 16.771 23.760 ( 9.410 -0.644 -13.580) 16.534 29.491 ( -3.473 -0.407 5.042) 6.135 29.551 ( -5.336 0.197 -4.262) 6.832 29.588 ( 4.082 2.299 1.450) 4.904 29.768 ( 6.686 -6.037 -1.138) 9.080 30.689 ( -1.057 3.223 1.840) 3.859 30.707 ( -2.530 2.737 -1.018) 3.864 32.561 ( -11.281 1.513 14.668) 18.566 33.338 ( 12.377 -0.352 -17.238) 21.224 ======================= Grid point 367 (184/227) ======================= q-point: (-0.30 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -12.662 5.302 -6.095) 15.020 3.365 ( -1.976 1.481 -4.136) 4.817 3.838 ( -22.381 1.510 -10.166) 24.628 4.327 ( -13.333 12.091 15.140) 23.520 4.689 ( -10.844 0.920 -0.498) 10.895 4.832 ( 5.290 9.141 12.113) 16.071 5.081 ( -10.260 8.881 5.705) 14.720 5.359 ( 7.293 2.518 6.999) 10.417 5.773 ( -0.884 1.123 9.174) 9.285 6.199 ( 10.026 -2.968 -5.913) 12.012 6.896 ( -4.620 0.531 -9.510) 10.586 6.996 ( 1.263 2.293 -0.325) 2.637 7.425 ( -3.918 -6.869 7.422) 10.845 7.655 ( -0.223 -2.759 -5.920) 6.535 8.160 ( -5.456 4.022 -12.312) 14.054 8.868 ( 11.762 -7.067 4.750) 14.521 9.389 ( -0.003 -2.045 6.297) 6.621 9.522 ( 3.184 -0.786 -6.485) 7.268 9.998 ( 3.520 -1.713 2.397) 4.590 10.096 ( 5.401 -6.866 -1.475) 8.859 11.063 ( 0.431 6.640 5.503) 8.635 11.192 ( 2.445 3.759 -0.793) 4.554 13.201 ( -7.688 1.218 18.054) 19.660 13.906 ( 8.726 -0.709 -20.658) 22.437 15.466 ( -4.037 0.384 -0.157) 4.059 15.652 ( 1.106 0.637 0.716) 1.463 15.868 ( -14.747 0.908 -12.910) 19.621 16.379 ( -4.137 -3.247 0.097) 5.260 16.711 ( 6.331 -0.236 1.269) 6.462 16.840 ( 6.256 0.235 2.030) 6.582 18.502 ( -5.004 0.925 4.587) 6.851 18.900 ( 4.787 -2.174 -1.747) 5.541 23.126 ( -6.858 -3.518 14.032) 16.010 23.821 ( 10.161 -0.781 -11.617) 15.454 29.391 ( -9.674 -0.054 -2.556) 10.006 29.503 ( -0.612 -2.769 -1.085) 3.037 29.616 ( 3.718 4.138 1.296) 5.712 29.933 ( 3.859 -6.153 -2.252) 7.604 30.616 ( -2.563 5.234 1.446) 6.005 30.714 ( 5.391 2.019 6.371) 8.586 32.401 ( -15.443 7.875 9.811) 19.919 33.425 ( 12.648 -4.250 -16.235) 21.015 ======================= Grid point 368 (185/227) ======================= q-point: (-0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -4.327 -0.328 -5.126) 6.716 3.085 ( -20.185 10.858 -4.030) 23.271 3.394 ( -18.420 7.065 -14.463) 24.462 4.096 ( -10.415 12.458 18.705) 24.770 4.495 ( -9.518 3.374 7.061) 12.322 4.900 ( -11.132 1.703 6.664) 13.086 4.997 ( 8.680 2.384 11.224) 14.388 5.481 ( 6.547 2.420 4.674) 8.400 5.761 ( -4.531 0.247 4.186) 6.174 6.318 ( 5.317 0.976 -0.037) 5.405 6.754 ( -1.524 -2.724 -15.939) 16.242 6.971 ( -3.896 -1.816 -3.005) 5.245 7.559 ( 1.683 -5.576 10.022) 11.591 7.676 ( -0.171 -7.963 -2.558) 8.365 7.966 ( 0.676 9.253 -8.276) 12.433 9.081 ( 1.878 -5.799 5.442) 8.172 9.327 ( -2.745 7.664 -2.151) 8.420 9.644 ( 8.822 -7.998 -7.949) 14.317 10.109 ( 4.153 -2.025 5.275) 7.012 10.271 ( 5.905 -7.412 0.493) 9.489 11.014 ( 0.748 6.615 1.836) 6.906 11.135 ( 0.246 8.282 -2.101) 8.548 13.190 ( -8.932 1.843 18.055) 20.227 13.905 ( 9.708 -0.782 -20.436) 22.638 15.401 ( -3.536 0.301 -0.574) 3.594 15.626 ( -8.489 -3.106 -7.301) 11.620 15.655 ( 0.244 1.202 -0.168) 1.238 16.323 ( -5.917 -1.528 1.123) 6.213 16.813 ( 2.593 -4.786 -3.331) 6.382 16.943 ( 7.476 3.133 4.204) 9.131 18.466 ( -3.820 0.436 5.948) 7.082 18.965 ( 3.506 -1.141 -3.293) 4.943 23.178 ( -6.592 -5.616 12.033) 14.825 23.914 ( 10.618 -0.655 -7.469) 12.998 29.238 ( -8.848 -0.020 -1.026) 8.907 29.532 ( 0.767 -3.186 -2.411) 4.068 29.635 ( 4.187 2.716 0.580) 5.024 29.970 ( -2.085 -1.985 -2.747) 3.979 30.524 ( -2.741 5.046 1.883) 6.043 30.882 ( 9.396 -2.310 4.859) 10.827 32.063 ( -16.834 15.448 5.196) 23.432 33.577 ( 11.338 -7.850 -12.934) 18.907 ======================= Grid point 369 (186/227) ======================= q-point: (-0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -4.089 -0.607 -4.027) 5.771 2.631 ( -15.086 10.100 0.256) 18.157 2.961 ( -8.487 6.884 -17.029) 20.233 3.990 ( -12.962 3.069 26.481) 29.642 4.440 ( -4.136 1.247 6.872) 8.117 4.791 ( -11.134 -5.028 4.419) 12.991 5.148 ( 6.691 2.561 7.538) 10.399 5.549 ( 3.210 1.972 2.527) 4.536 5.738 ( -2.190 -1.296 1.893) 3.171 6.312 ( -0.876 4.257 2.471) 4.999 6.727 ( 5.274 -6.596 -18.835) 20.642 6.885 ( -6.976 -1.156 -1.416) 7.212 7.688 ( -0.939 -4.751 7.271) 8.736 7.756 ( 3.570 4.669 -3.787) 6.992 7.923 ( 6.555 -3.640 3.215) 8.158 9.137 ( -4.156 6.395 0.163) 7.629 9.178 ( -2.584 -1.032 1.894) 3.366 9.765 ( 6.370 -3.577 -13.206) 15.092 10.229 ( 3.049 -1.514 6.333) 7.190 10.438 ( 4.647 -6.343 -0.322) 7.870 10.933 ( -2.057 7.144 -2.204) 7.754 10.998 ( -0.010 6.655 -2.914) 7.265 13.156 ( -9.580 1.883 17.527) 20.063 13.910 ( 10.460 -0.103 -20.848) 23.325 15.359 ( -1.706 -0.225 0.168) 1.729 15.577 ( -1.945 -5.347 -2.950) 6.409 15.637 ( -0.322 1.155 0.512) 1.304 16.295 ( -1.951 -1.668 2.760) 3.769 16.843 ( -0.263 -1.806 -4.031) 4.425 17.035 ( 4.937 0.911 1.992) 5.401 18.465 ( -2.544 -0.067 7.338) 7.767 18.981 ( 1.829 0.175 -4.728) 5.072 23.235 ( -6.329 -6.749 8.670) 12.679 24.032 ( 9.099 0.447 -2.114) 9.352 29.132 ( -5.816 -0.473 1.709) 6.081 29.549 ( 0.604 -0.973 -4.101) 4.258 29.692 ( 5.796 0.816 0.929) 5.927 29.925 ( -4.494 -2.493 -1.671) 5.404 30.447 ( -2.588 2.834 1.620) 4.166 31.010 ( 1.164 -0.891 -5.996) 6.173 31.708 ( -7.274 14.541 8.968) 18.569 33.730 ( 7.657 -6.656 -10.538) 14.628 ======================= Grid point 376 (187/227) ======================= q-point: (-0.40 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -14.940 0.000 -12.917) 19.750 3.364 ( -0.071 0.000 -1.570) 1.571 3.858 ( -20.695 0.000 -11.362) 23.609 4.400 ( -14.078 0.000 34.129) 36.919 4.750 ( -9.341 0.000 -14.273) 17.058 4.952 ( 1.134 -0.000 9.778) 9.843 5.268 ( -12.591 0.000 0.702) 12.610 5.367 ( 7.722 -0.000 8.675) 11.614 5.768 ( -5.093 0.000 14.445) 15.316 6.150 ( 10.515 -0.000 -6.656) 12.444 6.894 ( -7.088 0.000 -6.695) 9.750 7.035 ( -1.169 0.000 -1.033) 1.560 7.337 ( -4.495 0.000 2.608) 5.196 7.621 ( 0.063 -0.000 -5.695) 5.695 8.220 ( 0.081 -0.000 -14.950) 14.950 8.775 ( 15.567 -0.000 3.351) 15.924 9.330 ( -1.436 0.000 10.115) 10.217 9.541 ( 2.929 -0.000 -4.280) 5.187 9.978 ( 4.148 -0.000 1.541) 4.425 10.000 ( 4.779 -0.000 -1.342) 4.964 11.191 ( 3.620 -0.000 11.201) 11.772 11.211 ( 0.866 -0.000 -3.563) 3.667 13.215 ( -7.548 0.000 17.916) 19.441 13.892 ( 7.941 -0.000 -21.114) 22.558 15.471 ( -4.197 0.000 0.065) 4.198 15.659 ( 0.944 -0.000 1.089) 1.441 15.888 ( -15.985 0.000 -15.558) 22.306 16.324 ( -2.285 0.000 0.202) 2.294 16.712 ( 2.439 -0.000 -1.411) 2.818 16.845 ( 8.614 -0.000 5.444) 10.190 18.514 ( -4.759 0.000 2.276) 5.275 18.866 ( 4.533 -0.000 0.309) 4.544 23.083 ( -7.183 0.000 13.964) 15.703 23.812 ( 10.794 -0.000 -12.151) 16.253 29.386 ( -7.060 0.000 -8.844) 11.316 29.466 ( -3.471 0.000 4.227) 5.469 29.740 ( 4.415 -0.000 3.037) 5.359 29.778 ( 4.864 -0.000 -2.440) 5.442 30.693 ( -2.682 0.000 2.150) 3.437 30.745 ( 2.668 -0.000 5.441) 6.060 32.507 ( -11.886 0.000 13.741) 18.169 33.363 ( 10.170 -0.000 -19.978) 22.418 ======================= Grid point 377 (188/227) ======================= q-point: (-0.30 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -11.375 -0.187 -8.982) 14.495 3.267 ( -8.705 4.277 -6.229) 11.527 3.485 ( -18.787 0.901 -7.802) 20.363 4.324 ( -24.632 3.502 32.334) 40.798 4.520 ( -9.297 0.613 -7.367) 11.878 5.049 ( -11.233 8.272 5.497) 14.994 5.087 ( 6.646 3.004 10.124) 12.478 5.492 ( 1.451 -1.340 5.426) 5.774 5.700 ( -14.841 -3.421 7.129) 16.816 6.287 ( 9.897 -1.349 -1.545) 10.107 6.737 ( -5.355 -0.614 -11.372) 12.585 6.926 ( -8.969 -0.922 -7.584) 11.782 7.385 ( 4.051 -4.522 5.662) 8.302 7.591 ( -0.295 -1.178 -3.407) 3.617 8.180 ( 9.391 5.567 -10.179) 14.926 8.990 ( 10.187 -1.459 -0.770) 10.320 9.388 ( -1.893 -3.086 6.210) 7.188 9.547 ( 3.821 1.475 -4.601) 6.160 10.072 ( 5.384 -0.578 2.987) 6.185 10.116 ( 6.078 -4.425 3.138) 8.147 11.173 ( 1.008 4.193 -2.326) 4.900 11.307 ( 4.307 4.651 7.222) 9.609 13.219 ( -9.188 0.556 17.962) 20.183 13.867 ( 8.234 -1.455 -20.850) 22.464 15.410 ( -3.781 0.241 -0.323) 3.803 15.579 ( -11.291 -0.736 -11.176) 15.904 15.673 ( 0.266 0.291 0.841) 0.928 16.272 ( -4.770 -1.868 -0.974) 5.215 16.734 ( 1.431 -1.432 -2.490) 3.209 17.000 ( 7.044 1.283 5.478) 9.015 18.467 ( -3.981 -0.171 2.596) 4.756 18.933 ( 3.418 -0.953 -0.530) 3.588 23.087 ( -7.223 -1.847 13.257) 15.210 23.905 ( 12.326 -0.146 -9.341) 15.466 29.225 ( -6.787 -0.427 -7.476) 10.106 29.464 ( -1.767 -1.693 3.067) 3.924 29.737 ( 2.862 5.055 0.577) 5.838 29.880 ( 1.610 -5.079 -2.004) 5.692 30.646 ( -3.550 3.394 3.195) 5.859 30.847 ( 4.882 -0.645 5.333) 7.259 32.379 ( -11.918 8.507 12.112) 19.003 33.383 ( 8.497 -6.057 -20.654) 23.140 ======================= Grid point 378 (189/227) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -8.472 -5.067 -1.888) 10.050 2.920 ( -13.951 11.464 -5.696) 18.934 3.149 ( -14.979 6.030 -9.097) 18.533 4.120 ( -25.556 5.399 32.780) 41.914 4.386 ( -7.834 -4.353 -0.727) 8.992 4.776 ( -16.843 5.922 5.401) 18.652 5.217 ( 3.683 2.158 8.834) 9.811 5.515 ( -8.066 -6.767 5.055) 11.679 5.644 ( -2.351 -3.326 2.063) 4.565 6.386 ( -0.453 2.118 3.620) 4.218 6.622 ( 5.127 -1.799 -16.937) 17.788 6.781 ( -8.521 -6.579 -6.485) 12.568 7.586 ( 4.956 -4.665 5.047) 8.473 7.612 ( 3.283 -4.452 1.017) 5.624 8.165 ( 11.437 11.691 -8.242) 18.315 9.090 ( 1.209 -0.580 3.199) 3.468 9.363 ( -3.420 5.214 -0.114) 6.237 9.614 ( 7.618 -6.255 -9.387) 13.611 10.189 ( 4.627 -2.036 3.891) 6.379 10.298 ( 5.644 -4.702 5.450) 9.148 11.098 ( -0.306 5.664 -3.565) 6.699 11.266 ( 0.949 12.608 -0.028) 12.644 13.189 ( -10.905 0.798 17.450) 20.593 13.871 ( 8.757 -2.789 -20.824) 22.762 15.359 ( -1.834 0.084 0.089) 1.838 15.454 ( -2.962 -3.801 -2.977) 5.664 15.671 ( -0.108 0.924 0.028) 0.930 16.241 ( -2.799 -2.679 1.545) 4.172 16.751 ( 0.104 -3.414 -4.177) 5.396 17.092 ( 3.958 2.272 3.571) 5.794 18.445 ( -3.303 -1.366 3.859) 5.260 18.971 ( 1.745 -0.517 -2.317) 2.947 23.106 ( -7.293 -3.641 12.180) 14.656 24.043 ( 13.398 0.412 -5.070) 14.331 29.100 ( -5.846 -1.393 -3.835) 7.130 29.493 ( -0.097 -2.551 0.812) 2.678 29.740 ( 3.107 2.413 1.379) 4.169 29.900 ( -1.483 -0.715 -1.836) 2.466 30.557 ( -4.165 4.988 2.990) 7.153 30.948 ( 2.033 -2.956 -0.991) 3.723 32.125 ( -9.375 17.665 8.687) 21.804 33.478 ( 6.281 -12.838 -16.455) 21.796 ======================= Grid point 379 (190/227) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -18.742 -3.590 0.848) 19.101 2.665 ( -3.613 7.272 -0.476) 8.134 2.795 ( -10.126 4.993 -11.332) 15.996 3.961 ( -21.947 0.357 31.877) 38.703 4.340 ( -11.260 -4.246 4.676) 12.910 4.560 ( -13.265 -6.765 4.147) 15.457 5.288 ( 0.032 -2.516 5.993) 6.500 5.556 ( -3.201 -4.591 8.258) 9.976 5.660 ( -1.144 -1.588 -2.380) 3.081 6.323 ( -3.837 0.885 2.724) 4.788 6.672 ( 11.786 -1.438 -20.351) 23.561 6.744 ( -3.694 -6.390 1.455) 7.523 7.665 ( 1.074 -2.242 2.674) 3.651 7.796 ( 5.634 -3.618 1.716) 6.912 8.140 ( 10.230 9.325 -2.765) 14.116 9.105 ( -3.641 -0.333 4.830) 6.058 9.207 ( -3.905 8.295 -1.297) 9.260 9.714 ( 6.970 -4.575 -14.318) 16.568 10.300 ( 2.529 -2.174 3.971) 5.186 10.447 ( 3.312 -2.002 4.514) 5.946 10.968 ( -2.039 7.464 -4.991) 9.208 11.080 ( -1.510 10.973 -3.851) 11.727 13.140 ( -11.202 0.195 16.847) 20.232 13.888 ( 9.627 -2.839 -21.521) 23.746 15.350 ( -0.201 0.053 0.803) 0.830 15.514 ( 3.172 -3.988 1.935) 5.451 15.652 ( -0.060 1.323 -0.252) 1.349 16.285 ( 1.280 -2.959 3.368) 4.662 16.761 ( -0.674 -4.445 -5.165) 6.847 17.114 ( 0.575 2.591 1.825) 3.221 18.461 ( -2.419 -2.575 5.502) 6.539 18.962 ( 0.030 0.198 -4.023) 4.028 23.134 ( -7.055 -4.768 10.616) 13.609 24.194 ( 11.955 3.147 -1.395) 12.441 29.046 ( -3.246 -3.213 0.415) 4.586 29.522 ( 0.799 -1.237 -1.631) 2.197 29.775 ( -1.668 -1.856 1.419) 2.871 29.861 ( 2.421 3.483 0.233) 4.248 30.459 ( -3.984 3.919 2.816) 6.258 30.921 ( -3.720 -0.201 -8.447) 9.232 31.874 ( -3.503 13.925 6.722) 15.855 33.613 ( 2.917 -12.950 -11.646) 17.659 ======================= Grid point 387 (191/227) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -10.712 0.000 -2.512) 11.002 3.102 ( -12.940 0.000 -10.152) 16.447 3.204 ( -13.501 0.000 -2.129) 13.668 4.185 ( -31.222 0.000 39.976) 50.724 4.310 ( -9.993 0.000 -9.236) 13.607 4.992 ( -12.017 0.000 8.427) 14.677 5.183 ( -19.745 0.000 0.390) 19.749 5.355 ( -2.158 0.000 10.302) 10.526 5.615 ( 0.504 -0.000 3.636) 3.671 6.426 ( 5.515 -0.000 7.324) 9.168 6.605 ( 4.300 -0.000 -18.616) 19.106 6.665 ( -14.877 0.000 -8.111) 16.944 7.506 ( 9.677 -0.000 4.500) 10.672 7.582 ( 2.584 -0.000 -1.590) 3.034 8.326 ( 12.266 -0.000 -8.757) 15.072 9.110 ( 10.242 -0.000 -7.931) 12.954 9.365 ( -4.416 0.000 7.600) 8.790 9.566 ( 1.716 -0.000 -4.856) 5.150 10.159 ( 4.330 -0.000 2.478) 4.989 10.232 ( 7.340 -0.000 7.825) 10.729 11.172 ( -0.183 0.000 -5.145) 5.148 11.455 ( 3.396 -0.000 3.189) 4.658 13.198 ( -11.388 0.000 17.428) 20.819 13.822 ( 7.588 -0.000 -20.814) 22.155 15.359 ( -1.963 0.000 -0.404) 2.004 15.406 ( -3.743 0.000 -3.095) 4.856 15.681 ( -0.166 0.000 0.448) 0.478 16.198 ( -2.614 0.000 -0.213) 2.623 16.710 ( -0.504 0.000 -3.143) 3.183 17.121 ( 3.549 -0.000 3.892) 5.267 18.423 ( -3.757 0.000 1.915) 4.217 18.964 ( 2.082 -0.000 -0.900) 2.268 23.061 ( -7.741 0.000 13.368) 15.448 24.049 ( 14.900 -0.000 -6.023) 16.071 29.082 ( -4.978 0.000 -7.219) 8.769 29.458 ( -1.291 0.000 4.501) 4.682 29.784 ( -2.018 0.000 1.608) 2.580 29.877 ( 4.463 -0.000 -2.135) 4.947 30.630 ( -4.544 0.000 2.799) 5.337 30.906 ( 0.712 -0.000 0.673) 0.980 32.412 ( -7.030 0.000 17.046) 18.438 33.251 ( 3.703 -0.000 -26.805) 27.059 ======================= Grid point 388 (192/227) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -18.019 -2.953 4.373) 18.776 2.749 ( -18.306 2.483 -12.031) 22.045 3.022 ( -8.543 6.990 2.643) 11.351 3.997 ( -30.812 1.525 38.294) 49.175 4.156 ( -9.652 -6.574 -2.812) 12.012 4.623 ( -23.653 10.203 2.548) 25.886 5.028 ( -16.371 -15.785 5.823) 23.475 5.498 ( 3.192 -0.215 11.569) 12.003 5.652 ( 1.819 0.090 0.380) 1.860 6.368 ( -9.752 3.286 -1.120) 10.351 6.556 ( -1.892 -6.866 -0.169) 7.124 6.652 ( 15.428 -0.738 -14.405) 21.120 7.637 ( 4.663 -0.319 0.512) 4.702 7.695 ( 9.008 -2.779 2.553) 9.767 8.378 ( 9.419 6.673 -9.211) 14.768 9.147 ( 3.629 2.890 -4.037) 6.150 9.345 ( -5.378 1.857 3.770) 6.825 9.566 ( 3.327 -4.793 -8.809) 10.566 10.242 ( 2.693 -1.434 3.162) 4.394 10.409 ( 6.495 -1.212 9.019) 11.180 11.105 ( -0.716 3.064 -5.976) 6.754 11.392 ( -2.325 9.861 -6.168) 11.861 13.140 ( -12.768 -0.063 16.610) 20.950 13.801 ( 7.515 -3.048 -20.862) 22.383 15.352 ( -0.844 -0.036 0.264) 0.885 15.440 ( 6.221 -1.543 6.409) 9.064 15.676 ( 0.015 0.440 -0.658) 0.792 16.204 ( 0.721 -2.643 1.788) 3.271 16.676 ( -2.002 -1.756 -4.017) 4.820 17.162 ( 0.145 1.015 1.968) 2.219 18.394 ( -3.579 -1.948 2.545) 4.804 18.971 ( 0.449 0.332 -2.522) 2.583 23.053 ( -7.844 -1.717 13.633) 15.821 24.252 ( 17.277 1.323 -2.450) 17.500 28.986 ( -3.211 -1.333 -3.831) 5.173 29.484 ( -0.374 -1.065 3.698) 3.867 29.755 ( -3.872 -0.171 2.254) 4.484 29.927 ( 4.717 1.309 -0.405) 4.912 30.557 ( -4.768 2.821 1.848) 5.840 30.884 ( -2.611 -1.588 -4.956) 5.823 32.324 ( -4.888 19.191 11.426) 22.864 33.191 ( -0.979 -18.217 -22.076) 28.638 ======================= Grid point 389 (193/227) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -20.792 -4.208 8.051) 22.690 2.418 ( -19.121 -6.359 -7.853) 21.626 2.782 ( -10.300 11.620 4.121) 16.065 3.810 ( -27.204 -2.574 29.150) 39.956 4.107 ( -12.644 -6.409 3.402) 14.577 4.352 ( -11.624 -5.816 10.331) 16.604 5.074 ( -12.368 -17.263 7.634) 22.567 5.539 ( -6.067 0.312 2.296) 6.494 5.683 ( 3.435 1.160 3.028) 4.724 6.281 ( -0.921 -1.901 1.875) 2.824 6.637 ( 11.034 -2.332 -16.838) 20.266 6.801 ( 10.069 -0.765 3.061) 10.552 7.700 ( 3.204 0.777 -1.952) 3.831 7.841 ( 3.894 -3.391 -1.373) 5.343 8.358 ( 8.132 8.066 -2.348) 11.692 9.095 ( -1.858 3.251 -5.050) 6.287 9.242 ( -4.271 5.057 8.348) 10.654 9.635 ( 4.913 -6.925 -12.887) 15.433 10.305 ( 0.124 -1.722 2.542) 3.073 10.560 ( 4.425 1.212 8.847) 9.966 10.990 ( -1.349 6.967 -6.231) 9.444 11.123 ( -5.756 10.581 -8.113) 14.523 13.077 ( -12.418 -1.167 16.171) 20.422 13.817 ( 8.737 -5.046 -21.857) 24.074 15.351 ( 0.112 -0.485 0.511) 0.713 15.631 ( 8.832 1.471 9.050) 12.731 15.664 ( 1.157 1.094 -1.876) 2.460 16.305 ( 3.848 -3.972 3.402) 6.493 16.647 ( -1.959 -4.643 -5.140) 7.198 17.133 ( -3.111 1.696 0.661) 3.604 18.409 ( -2.782 -4.600 3.649) 6.498 18.931 ( -1.432 0.860 -4.049) 4.380 23.069 ( -7.199 -2.818 13.695) 15.726 24.448 ( 15.900 6.619 -1.848) 17.322 28.979 ( -0.108 -3.684 0.563) 3.728 29.519 ( 0.577 -1.073 1.416) 1.867 29.689 ( -7.089 -0.060 1.568) 7.261 30.003 ( 7.400 1.943 3.127) 8.265 30.463 ( -3.941 3.640 2.000) 5.725 30.807 ( -2.791 -0.402 -7.292) 7.818 32.018 ( -6.773 17.818 -0.718) 19.075 33.316 ( -3.144 -22.282 -9.921) 24.592 ======================= Grid point 398 (194/227) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -22.747 0.000 12.409) 25.911 2.328 ( -27.022 0.000 -7.882) 28.148 2.958 ( -13.749 0.000 5.715) 14.890 3.784 ( -34.121 0.000 31.705) 46.577 4.004 ( -3.272 0.000 0.638) 3.334 4.316 ( -24.758 0.000 5.191) 25.296 4.789 ( -11.068 0.000 12.160) 16.442 5.550 ( -6.962 0.000 2.686) 7.462 5.698 ( 2.344 -0.000 4.131) 4.750 6.255 ( -0.805 0.000 0.992) 1.277 6.589 ( 12.398 -0.000 -8.475) 15.018 6.803 ( 13.021 -0.000 -2.577) 13.273 7.712 ( 4.720 -0.000 -0.633) 4.762 7.781 ( 3.611 -0.000 -3.615) 5.109 8.480 ( 7.641 -0.000 -4.622) 8.931 9.146 ( -0.136 0.000 -9.819) 9.820 9.340 ( -4.732 0.000 8.856) 10.041 9.491 ( 2.351 -0.000 -9.012) 9.313 10.291 ( 1.597 -0.000 3.636) 3.971 10.561 ( 5.214 -0.000 9.869) 11.162 11.079 ( 0.680 -0.000 -6.095) 6.133 11.309 ( -7.850 0.000 -12.756) 14.978 13.061 ( -13.403 0.000 15.992) 20.866 13.734 ( 6.753 -0.000 -20.412) 21.500 15.344 ( -0.252 0.000 0.691) 0.736 15.667 ( 13.560 -0.000 12.961) 18.758 15.673 ( 0.359 -0.000 -1.503) 1.545 16.230 ( 3.733 -0.000 1.599) 4.061 16.593 ( -3.973 0.000 -3.466) 5.273 17.151 ( -3.303 0.000 -0.138) 3.306 18.342 ( -3.891 0.000 2.714) 4.744 18.945 ( -1.206 0.000 -4.296) 4.462 23.033 ( -7.551 0.000 15.499) 17.240 24.537 ( 21.391 -0.000 -2.287) 21.513 28.931 ( -0.256 0.000 -0.886) 0.922 29.501 ( -0.752 0.000 4.569) 4.630 29.692 ( -6.645 0.000 2.339) 7.044 30.023 ( 6.484 -0.000 1.744) 6.714 30.516 ( -3.835 0.000 0.630) 3.887 30.795 ( -1.848 0.000 -6.469) 6.728 32.577 ( -2.534 0.000 20.212) 20.370 32.704 ( -12.594 0.000 -32.611) 34.959 ======================= Grid point 399 (195/227) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -21.513 -1.230 18.008) 28.082 1.983 ( -23.176 -8.899 6.796) 25.739 2.725 ( -16.368 4.084 7.924) 18.638 3.511 ( -28.698 -5.386 19.131) 34.909 3.948 ( -10.315 3.590 6.980) 12.962 4.183 ( -9.720 -11.245 13.276) 19.929 4.793 ( -9.752 -9.382 11.665) 17.866 5.355 ( -16.632 -1.323 -3.596) 17.067 5.760 ( 2.008 0.040 4.369) 4.809 6.390 ( 13.831 2.044 3.006) 14.301 6.705 ( 15.418 0.613 -20.707) 25.824 6.991 ( 10.049 -0.212 6.408) 11.921 7.698 ( -2.934 -0.508 -10.828) 11.230 7.757 ( -2.296 -3.276 -5.963) 7.181 8.609 ( 12.870 6.640 9.283) 17.202 9.035 ( -2.409 0.691 -8.435) 8.799 9.320 ( -2.821 2.150 10.780) 11.348 9.539 ( 5.262 -5.577 -7.471) 10.706 10.329 ( 0.698 1.243 3.406) 3.693 10.692 ( 2.729 -0.289 9.633) 10.017 10.994 ( -6.552 8.776 -8.767) 14.029 11.067 ( -2.098 2.372 -6.854) 7.550 12.989 ( -12.603 -1.358 15.763) 20.228 13.719 ( 7.724 -4.694 -21.129) 22.981 15.356 ( 0.550 -0.468 1.246) 1.440 15.664 ( 0.532 0.323 -2.222) 2.308 15.917 ( 10.951 6.120 9.757) 15.893 16.346 ( 5.697 -4.364 2.459) 7.586 16.524 ( -3.282 -3.126 -3.628) 5.806 17.070 ( -6.286 0.113 -1.878) 6.562 18.333 ( -3.293 -3.901 3.470) 6.173 18.870 ( -3.525 0.423 -5.846) 6.840 23.057 ( -6.093 -1.074 17.215) 18.293 24.769 ( 18.386 7.863 -8.867) 21.875 28.973 ( 3.173 -2.200 2.027) 4.361 29.519 ( -1.673 -0.842 2.305) 2.970 29.597 ( -7.205 0.158 2.359) 7.583 30.132 ( 4.857 -0.445 0.286) 4.886 30.492 ( 2.149 2.442 4.424) 5.491 30.741 ( 0.159 0.333 -5.233) 5.246 32.072 ( -12.448 19.314 -12.140) 25.988 32.892 ( -6.945 -25.940 5.879) 27.490 ======================= Grid point 409 (196/227) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -19.040 0.000 27.113) 33.131 1.752 ( -11.446 0.000 26.033) 28.438 2.587 ( -12.312 0.000 14.782) 19.238 3.208 ( -19.545 0.000 10.868) 22.363 3.948 ( -17.419 0.000 18.892) 25.696 4.001 ( -2.165 0.000 1.109) 2.432 4.729 ( -4.689 0.000 12.607) 13.451 5.030 ( -20.909 0.000 -3.119) 21.140 5.824 ( 3.580 -0.000 2.541) 4.390 6.666 ( 13.942 -0.000 -2.389) 14.145 6.750 ( 11.430 -0.000 -25.656) 28.087 7.089 ( -2.205 0.000 -0.640) 2.296 7.436 ( -8.996 0.000 -12.211) 15.167 7.725 ( 2.885 -0.000 -3.899) 4.850 8.941 ( -1.163 0.000 -6.204) 6.312 9.053 ( 22.129 -0.000 15.827) 27.207 9.354 ( 1.310 -0.000 10.139) 10.223 9.599 ( 9.227 -0.000 1.547) 9.356 10.392 ( 2.477 -0.000 3.657) 4.417 10.738 ( -5.400 0.000 4.192) 6.836 10.878 ( -6.286 0.000 -0.654) 6.320 11.068 ( 3.207 -0.000 -4.629) 5.631 12.913 ( -11.475 0.000 15.621) 19.383 13.647 ( 7.532 -0.000 -20.377) 21.725 15.375 ( 0.894 -0.000 2.045) 2.232 15.652 ( 0.139 -0.000 -2.963) 2.966 16.124 ( 0.586 -0.000 4.269) 4.309 16.400 ( 5.674 -0.000 -0.939) 5.751 16.475 ( 1.413 -0.000 1.845) 2.324 16.936 ( -7.909 0.000 -4.409) 9.055 18.287 ( -2.929 0.000 4.407) 5.292 18.756 ( -5.527 0.000 -6.788) 8.753 23.114 ( -3.749 0.000 20.511) 20.851 24.939 ( 9.654 -0.000 -22.513) 24.496 29.032 ( 3.651 -0.000 1.691) 4.023 29.443 ( -6.789 0.000 -1.766) 7.015 29.556 ( -2.732 0.000 5.188) 5.863 30.091 ( -4.792 0.000 -7.806) 9.160 30.652 ( 6.568 -0.000 6.494) 9.236 30.739 ( 3.289 -0.000 -4.742) 5.771 31.997 ( 3.651 -0.000 -2.482) 4.415 32.716 ( -8.209 0.000 18.105) 19.879 ======================= Grid point 410 (197/227) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -2.456 0.000 -14.429) 14.636 2.171 ( 2.456 -0.000 14.429) 14.636 3.371 ( -12.752 0.000 -14.682) 19.447 3.371 ( 12.752 -0.000 14.682) 19.447 3.537 ( -13.568 0.000 -9.348) 16.476 3.537 ( 13.568 -0.000 9.348) 16.476 4.876 ( 9.831 -0.000 -13.048) 16.337 4.876 ( -9.831 0.000 13.048) 16.337 6.017 ( -5.391 0.000 -8.301) 9.898 6.017 ( 5.391 -0.000 8.301) 9.898 6.651 ( 2.431 -0.000 -9.379) 9.689 6.651 ( -2.431 0.000 9.379) 9.689 7.536 ( -7.780 0.000 -5.876) 9.749 7.536 ( 7.780 -0.000 5.876) 9.749 9.047 ( -7.580 0.000 -3.359) 8.291 9.047 ( 7.580 -0.000 3.359) 8.291 10.091 ( 6.332 -0.000 -8.020) 10.219 10.091 ( -6.332 0.000 8.020) 10.219 10.560 ( -6.291 0.000 1.641) 6.501 10.560 ( 6.291 -0.000 -1.641) 6.501 11.001 ( 3.829 -0.000 -5.751) 6.909 11.001 ( -3.829 0.000 5.751) 6.909 13.206 ( 9.376 -0.000 -19.452) 21.594 13.206 ( -9.376 0.000 19.452) 21.594 15.514 ( -1.148 0.000 -3.722) 3.895 15.514 ( 1.148 -0.000 3.722) 3.895 16.197 ( -2.671 0.000 -7.985) 8.420 16.197 ( 2.671 -0.000 7.985) 8.420 16.688 ( -0.172 0.000 -3.784) 3.788 16.688 ( 0.172 -0.000 3.784) 3.788 18.435 ( -0.968 0.000 -5.863) 5.942 18.435 ( 0.968 -0.000 5.863) 5.942 23.955 ( -4.247 0.000 -27.215) 27.544 23.955 ( 4.247 -0.000 27.215) 27.544 29.162 ( -2.628 0.000 -3.988) 4.776 29.162 ( 2.628 -0.000 3.988) 4.776 29.710 ( -0.382 0.000 -6.497) 6.508 29.710 ( 0.382 -0.000 6.497) 6.508 30.726 ( 5.324 -0.000 -4.467) 6.950 30.726 ( -5.324 0.000 4.467) 6.950 32.758 ( 27.421 -0.000 -10.743) 29.451 32.758 ( -27.421 0.000 10.743) 29.451 ======================= Grid point 412 (198/227) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 2.002 -7.690 -16.459) 18.277 2.439 ( 11.854 -15.606 -13.043) 23.541 3.071 ( -2.700 -1.201 -10.993) 11.383 3.210 ( -15.514 -6.074 -13.840) 21.659 3.665 ( 16.656 9.547 8.699) 21.077 3.976 ( 14.992 -14.448 13.809) 24.984 4.866 ( -3.568 -2.769 7.959) 9.151 4.961 ( 13.734 -1.002 -13.199) 19.074 5.881 ( -4.823 3.714 -0.588) 6.116 6.147 ( 0.751 2.065 17.253) 17.392 6.658 ( 2.981 -0.575 -4.693) 5.589 6.831 ( 8.305 -8.328 8.423) 14.467 7.380 ( -7.913 -2.474 -2.836) 8.763 7.641 ( 1.384 1.361 5.119) 5.475 8.923 ( -6.743 -0.626 -2.569) 7.243 9.181 ( 5.962 -0.945 2.629) 6.584 9.807 ( -18.211 14.236 -8.032) 24.471 10.022 ( -5.048 0.644 -8.384) 9.808 10.454 ( -5.294 3.955 1.545) 6.786 10.623 ( 7.291 3.593 -1.774) 8.320 10.972 ( -4.686 1.534 5.625) 7.480 11.003 ( 2.250 0.604 -6.149) 6.575 13.236 ( 10.790 -2.900 -18.952) 22.000 13.243 ( -7.827 -3.681 19.286) 21.137 15.468 ( -1.880 -0.306 -3.001) 3.555 15.553 ( 0.196 -0.309 3.954) 3.970 16.124 ( -0.558 3.100 -3.459) 4.678 16.344 ( 5.014 -5.068 6.712) 9.791 16.625 ( -3.140 2.445 -3.694) 5.430 16.750 ( 4.634 -2.446 1.549) 5.464 18.413 ( 0.559 -2.568 -4.306) 5.045 18.528 ( 4.043 -2.555 4.963) 6.892 23.704 ( -2.336 2.046 -23.614) 23.817 24.184 ( 2.339 4.803 28.414) 28.912 29.122 ( -2.687 -2.123 -1.958) 3.945 29.286 ( 5.899 -5.012 3.651) 8.559 29.668 ( 1.448 1.193 -5.855) 6.148 29.795 ( 4.586 -0.700 7.282) 8.634 30.665 ( -5.432 2.274 4.450) 7.381 30.767 ( 5.343 0.572 -4.222) 6.833 32.349 ( -31.387 2.745 1.535) 31.544 33.033 ( 20.482 -4.180 -15.095) 25.785 ======================= Grid point 413 (199/227) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 1.071 -9.697 -16.718) 19.357 2.452 ( 2.299 -4.996 -27.470) 28.016 2.963 ( -8.768 -4.231 -16.360) 19.038 3.395 ( 18.604 -15.891 6.054) 25.205 3.878 ( 16.452 -1.001 0.807) 16.502 4.418 ( 11.102 -11.939 6.653) 17.609 4.984 ( 4.880 -10.099 1.733) 11.349 5.116 ( 14.492 -1.554 -5.696) 15.648 5.789 ( -3.487 4.029 4.399) 6.910 6.193 ( -6.283 3.571 15.788) 17.364 6.652 ( -1.396 -1.647 -5.865) 6.250 7.050 ( 3.173 -1.985 5.769) 6.877 7.463 ( 6.039 -10.966 6.749) 14.222 7.616 ( -4.184 2.829 2.700) 5.728 8.810 ( -4.701 4.831 -4.069) 7.874 9.116 ( -14.635 9.525 -7.994) 19.205 9.410 ( -2.231 2.346 3.297) 4.620 9.834 ( -8.359 1.173 -11.374) 14.164 10.360 ( -1.792 2.974 -0.153) 3.476 10.655 ( 7.071 7.833 -0.344) 10.558 10.908 ( -4.179 2.441 2.622) 5.504 10.962 ( -0.240 1.417 -4.834) 5.043 13.312 ( 11.344 -3.760 -17.477) 21.172 13.329 ( -7.277 -5.529 18.754) 20.863 15.425 ( -1.996 -0.335 -2.027) 2.864 15.584 ( -0.390 -0.530 3.591) 3.651 16.022 ( -1.750 8.104 -2.149) 8.564 16.483 ( -3.973 -0.953 1.479) 4.345 16.540 ( 1.417 -4.880 -1.786) 5.386 16.895 ( 8.252 -1.946 2.195) 8.758 18.444 ( 0.538 -4.086 -1.154) 4.280 18.673 ( 5.767 -3.729 2.864) 7.442 23.512 ( 0.855 2.032 -19.554) 19.678 24.286 ( -2.399 9.565 24.181) 26.114 29.098 ( -3.787 -3.396 -0.517) 5.113 29.456 ( 5.256 -3.912 1.643) 6.755 29.641 ( 2.566 1.624 -4.824) 5.700 29.965 ( 6.701 -2.739 8.106) 10.868 30.575 ( -3.922 4.654 1.198) 6.204 30.812 ( 3.799 -1.777 -4.797) 6.372 31.866 ( -24.033 4.636 -0.557) 24.482 33.267 ( 14.174 -9.155 -13.202) 21.425 ======================= Grid point 414 (200/227) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 3.154 -9.430 -13.423) 16.704 2.437 ( 6.941 -6.307 -14.950) 17.648 2.780 ( -4.515 2.983 -10.112) 11.469 3.846 ( 16.152 -9.991 0.003) 18.992 4.167 ( 12.371 -9.464 -1.999) 15.704 4.698 ( 10.696 -8.221 -5.859) 14.708 5.249 ( 7.346 -14.374 0.186) 16.144 5.316 ( 7.906 -1.023 5.057) 9.441 5.717 ( -5.277 4.156 7.770) 10.271 6.177 ( -2.300 -1.089 8.633) 9.000 6.580 ( -4.114 -1.918 -7.808) 9.031 7.075 ( -4.836 0.751 -0.101) 4.895 7.546 ( -1.708 0.834 3.760) 4.213 7.748 ( 6.398 -5.873 7.609) 11.547 8.483 ( -8.303 16.781 -7.713) 20.250 8.906 ( -5.544 -2.508 2.920) 6.749 9.459 ( -1.051 -0.793 7.503) 7.617 9.609 ( -5.860 1.404 -15.097) 16.255 10.335 ( 0.826 0.167 0.316) 0.900 10.615 ( 3.384 10.943 -0.320) 11.458 10.858 ( -0.397 1.200 0.692) 1.441 10.906 ( -1.081 1.418 -2.435) 3.018 13.401 ( 11.199 -3.154 -16.360) 20.076 13.420 ( -7.654 -5.102 18.165) 20.361 15.390 ( -1.678 -0.147 -0.981) 1.949 15.605 ( -0.911 -0.475 2.737) 2.923 15.848 ( -3.630 8.624 -4.319) 10.306 16.408 ( -3.003 1.438 0.735) 3.410 16.651 ( -0.323 -8.752 -0.124) 8.759 17.029 ( 6.935 1.248 1.154) 7.140 18.504 ( 0.216 -4.163 1.465) 4.418 18.805 ( 4.482 -2.747 0.440) 5.275 23.397 ( 2.907 1.278 -14.706) 15.044 24.246 ( -5.230 9.971 16.030) 19.589 29.095 ( -3.198 -5.023 -0.116) 5.956 29.534 ( 1.849 0.568 -0.630) 2.034 29.643 ( 4.279 1.194 -2.740) 5.220 30.094 ( -0.090 0.544 4.044) 4.082 30.460 ( -0.723 5.020 -3.489) 6.155 30.821 ( -3.575 -5.492 -6.222) 9.036 31.646 ( -3.815 1.785 8.665) 9.635 33.477 ( 8.885 -9.389 -8.237) 15.327 ======================= Grid point 415 (201/227) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.802 -9.824 -4.916) 11.337 2.548 ( 5.109 -5.204 -3.816) 8.231 2.617 ( 1.208 7.874 -7.173) 10.720 4.096 ( 7.717 -3.509 -2.701) 8.898 4.420 ( 7.703 -8.343 -0.624) 11.372 4.862 ( 9.717 -5.474 -12.372) 16.657 5.325 ( -10.574 1.215 12.679) 16.554 5.526 ( 7.034 -4.494 3.081) 8.898 5.700 ( 1.362 -2.180 -0.065) 2.571 6.284 ( 0.185 -5.463 8.824) 10.380 6.475 ( -0.548 1.936 -10.830) 11.015 6.935 ( -7.725 0.483 -2.243) 8.059 7.599 ( 2.050 -1.909 4.392) 5.209 7.866 ( 1.086 0.429 1.986) 2.304 8.205 ( -3.227 9.097 -1.337) 9.745 8.942 ( 0.949 -3.466 4.569) 5.812 9.363 ( -7.765 4.272 -4.567) 9.970 9.530 ( 0.614 -1.686 -2.181) 2.824 10.372 ( 1.596 -0.839 2.440) 3.034 10.513 ( 0.312 6.512 -2.789) 7.091 10.859 ( 0.125 2.919 2.929) 4.137 10.875 ( 1.099 -0.684 -2.511) 2.825 13.473 ( 10.394 -1.525 -16.329) 19.417 13.484 ( -8.353 -3.244 17.635) 19.781 15.368 ( -0.933 -0.060 -0.094) 0.940 15.595 ( -2.295 1.017 0.381) 2.539 15.696 ( -1.308 3.647 -2.833) 4.799 16.372 ( -1.166 0.791 1.078) 1.774 16.735 ( -1.044 -6.327 0.234) 6.417 17.083 ( 3.698 2.769 -0.135) 4.622 18.564 ( 0.080 -2.789 2.016) 3.442 18.872 ( 2.053 -0.963 -0.981) 2.471 23.346 ( 2.529 0.531 -8.194) 8.591 24.157 ( -3.970 5.958 7.754) 10.554 29.121 ( -1.594 -4.572 -0.078) 4.843 29.507 ( -1.095 2.029 -1.221) 2.609 29.704 ( 6.631 0.436 -0.183) 6.648 29.993 ( -6.285 4.955 -2.949) 8.529 30.430 ( 1.315 0.253 -0.032) 1.340 30.786 ( -3.623 -4.220 -3.689) 6.674 31.724 ( 3.425 0.069 7.984) 8.688 33.627 ( 4.308 -5.583 -3.414) 7.835 ======================= Grid point 416 (202/227) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.000 -0.000 0.000) 0.000 2.516 ( -0.000 0.000 0.000) 0.000 2.634 ( -0.000 0.000 0.000) 0.000 4.155 ( -0.000 0.000 0.000) 0.000 4.535 ( -0.000 0.000 -0.000) 0.000 4.935 ( -0.000 0.000 0.000) 0.000 5.264 ( -0.000 0.000 0.000) 0.000 5.594 ( -0.000 0.000 0.000) 0.000 5.751 ( -0.000 0.000 0.000) 0.000 6.369 ( -0.000 0.000 -0.000) 0.000 6.399 ( -0.000 0.000 0.000) 0.000 6.867 ( -0.000 0.000 0.000) 0.000 7.658 ( -0.000 0.000 -0.000) 0.000 7.858 ( -0.000 0.000 0.000) 0.000 8.125 ( -0.000 0.000 0.000) 0.000 9.030 ( -0.000 -0.000 -0.000) 0.000 9.218 ( -0.000 0.000 -0.000) 0.000 9.536 ( -0.000 0.000 -0.000) 0.000 10.413 ( -0.000 0.000 -0.000) 0.000 10.452 ( -0.000 0.000 0.000) 0.000 10.847 ( -0.000 0.000 0.000) 0.000 10.885 ( -0.000 0.000 0.000) 0.000 13.502 ( 0.000 0.000 -0.000) 0.000 13.505 ( -0.000 0.000 0.000) 0.000 15.362 ( -0.000 0.000 0.000) 0.000 15.556 ( -0.000 0.000 0.000) 0.000 15.667 ( -0.000 0.000 0.000) 0.000 16.363 ( -0.000 0.000 0.000) 0.000 16.769 ( -0.000 0.000 0.000) 0.000 17.089 ( -0.000 0.000 0.000) 0.000 18.591 ( -0.000 0.000 0.000) 0.000 18.887 ( -0.000 0.000 -0.000) 0.000 23.333 ( -0.000 0.000 0.000) 0.000 24.117 ( -0.000 0.000 0.000) 0.000 29.141 ( -0.000 0.000 0.000) 0.000 29.475 ( -0.000 0.000 0.000) 0.000 29.820 ( 0.000 -0.000 0.000) 0.000 29.828 ( -0.000 0.000 -0.000) 0.000 30.443 ( -0.000 0.000 0.000) 0.000 30.772 ( -0.000 0.000 -0.000) 0.000 31.785 ( -0.000 0.000 0.000) 0.000 33.682 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 423 (203/227) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 17.059 -0.000 -27.023) 31.957 2.301 ( 3.111 -0.000 -26.935) 27.114 2.925 ( 6.880 -0.000 -18.655) 19.883 3.151 ( 9.766 -0.000 10.575) 14.395 3.965 ( 3.545 -0.000 5.500) 6.544 4.174 ( 22.085 -0.000 1.702) 22.150 4.860 ( 0.698 -0.000 2.312) 2.415 5.099 ( 16.507 -0.000 -8.965) 18.784 5.855 ( -1.688 0.000 -0.574) 1.783 6.229 ( -9.918 0.000 23.504) 25.510 6.652 ( -6.314 0.000 -2.772) 6.896 7.011 ( 13.226 -0.000 7.143) 15.031 7.295 ( 3.156 -0.000 1.643) 3.558 7.656 ( -4.194 0.000 3.517) 5.473 8.844 ( -3.347 0.000 2.602) 4.239 9.232 ( -2.713 0.000 -2.849) 3.935 9.559 ( -16.693 0.000 -10.581) 19.764 9.753 ( -12.190 0.000 -13.467) 18.164 10.421 ( -3.728 0.000 0.742) 3.801 10.755 ( 8.254 -0.000 0.558) 8.273 10.960 ( -4.754 0.000 6.451) 8.013 10.974 ( -0.283 0.000 -7.013) 7.018 13.251 ( -6.856 0.000 19.275) 20.458 13.259 ( 13.149 -0.000 -19.192) 23.264 15.420 ( -1.636 0.000 -2.450) 2.946 15.578 ( -0.624 0.000 4.414) 4.458 16.183 ( 4.258 -0.000 -2.318) 4.848 16.354 ( -2.283 0.000 4.276) 4.848 16.553 ( -4.592 0.000 -5.778) 7.380 16.849 ( 8.674 -0.000 3.728) 9.442 18.386 ( 2.619 -0.000 -5.426) 6.025 18.624 ( 5.042 -0.000 6.682) 8.371 23.538 ( 0.790 -0.000 -21.795) 21.809 24.416 ( -4.770 0.000 29.212) 29.599 29.067 ( -2.376 0.000 -2.031) 3.126 29.388 ( 8.457 -0.000 3.663) 9.216 29.664 ( 2.353 -0.000 -5.667) 6.136 29.929 ( 6.489 -0.000 8.156) 10.422 30.638 ( -5.187 0.000 5.553) 7.599 30.766 ( -2.023 0.000 -5.247) 5.624 31.993 ( -17.704 0.000 -0.234) 17.705 33.102 ( 12.653 -0.000 -20.915) 24.444 ======================= Grid point 424 (204/227) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 14.445 4.618 -22.240) 26.919 2.285 ( 11.364 -7.263 -21.844) 25.672 2.936 ( 13.200 7.212 -12.216) 19.377 3.565 ( 22.752 -10.424 6.075) 25.753 4.022 ( 3.584 -1.715 1.524) 4.255 4.502 ( 18.469 -6.344 -9.755) 21.829 4.946 ( 5.201 -7.325 -1.321) 9.080 5.304 ( 14.738 -0.153 -0.601) 14.751 5.820 ( -1.124 2.930 0.431) 3.167 6.201 ( -12.797 1.907 19.522) 23.420 6.492 ( -10.674 -3.573 -3.609) 11.821 7.112 ( -1.223 1.963 -3.657) 4.327 7.493 ( 7.016 -5.047 7.380) 11.365 7.647 ( 2.244 -0.527 6.005) 6.432 8.827 ( -5.346 7.585 -2.999) 9.753 8.900 ( -14.312 2.656 -4.097) 15.122 9.442 ( 1.625 0.576 0.233) 1.740 9.548 ( -9.757 -5.296 -9.694) 14.739 10.367 ( -1.741 1.811 -0.307) 2.531 10.863 ( 7.791 5.019 2.993) 9.740 10.875 ( -3.522 2.326 -6.271) 7.559 10.946 ( -2.225 0.609 5.288) 5.769 13.311 ( -6.748 -2.882 19.546) 20.878 13.337 ( 14.313 -1.624 -19.087) 23.913 15.385 ( -1.204 -0.144 -1.683) 2.074 15.599 ( -0.857 -0.079 4.161) 4.249 16.079 ( -4.829 9.502 -6.155) 12.308 16.401 ( -4.159 -9.019 -2.521) 10.246 16.470 ( 0.903 1.280 0.983) 1.850 17.017 ( 7.916 -1.387 3.135) 8.626 18.409 ( 2.866 -2.575 -3.999) 5.553 18.752 ( 4.497 -1.198 5.834) 7.463 23.422 ( 3.890 0.580 -19.093) 19.494 24.440 ( -12.865 4.713 22.614) 26.441 29.017 ( -2.756 -1.281 -2.138) 3.716 29.534 ( 6.341 -0.331 0.623) 6.380 29.666 ( 4.382 0.598 -4.404) 6.241 30.070 ( 2.714 -1.101 5.892) 6.579 30.573 ( -4.849 3.489 -0.291) 5.981 30.674 ( -7.103 -5.443 -1.603) 9.091 31.860 ( 4.066 10.971 8.060) 14.208 33.171 ( 7.658 -11.702 -19.026) 23.613 ======================= Grid point 425 (205/227) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 16.382 1.935 -12.595) 20.755 2.431 ( 13.099 -4.561 -9.667) 16.907 2.922 ( 12.448 14.549 -8.784) 21.066 3.993 ( 17.591 -5.061 -0.102) 18.305 4.178 ( 6.436 -8.989 0.859) 11.089 4.731 ( 17.559 -4.929 -18.574) 26.031 5.159 ( 4.499 -12.511 1.414) 13.370 5.482 ( 7.906 1.060 3.861) 8.862 5.737 ( -4.781 3.965 2.789) 6.809 6.180 ( -4.252 -2.533 12.278) 13.238 6.414 ( -4.223 -5.168 -3.661) 7.612 6.955 ( -7.849 0.825 -8.437) 11.553 7.603 ( 1.274 1.587 6.577) 6.884 7.797 ( 2.639 -5.123 3.101) 6.544 8.421 ( -13.701 8.253 -7.461) 17.649 8.923 ( 1.179 0.709 9.493) 9.592 9.404 ( -7.686 -0.758 -1.373) 7.844 9.493 ( 2.993 -0.956 -3.111) 4.422 10.338 ( -0.324 -0.517 -0.623) 0.872 10.717 ( -4.528 5.627 -5.448) 9.047 10.890 ( 0.573 2.670 2.172) 3.489 10.983 ( 5.790 6.339 6.165) 10.570 13.392 ( -7.666 -3.683 20.474) 22.170 13.432 ( 14.376 -1.574 -19.418) 24.212 15.365 ( -0.585 -0.147 -0.840) 1.034 15.611 ( -1.166 0.471 3.365) 3.593 15.817 ( -7.515 6.017 -9.151) 13.282 16.377 ( -2.546 -2.738 -3.804) 5.334 16.558 ( 1.713 -4.783 3.821) 6.357 17.130 ( 4.208 0.473 0.963) 4.343 18.469 ( 2.314 -4.049 -1.995) 5.073 18.851 ( 2.493 -0.643 3.585) 4.414 23.361 ( 5.360 0.552 -15.300) 16.222 24.292 ( -15.296 4.469 13.462) 20.860 29.004 ( -1.114 -3.778 -1.558) 4.236 29.557 ( 0.250 1.743 -2.185) 2.806 29.727 ( 7.106 1.048 -2.145) 7.497 30.060 ( -6.855 0.353 -1.705) 7.073 30.480 ( 0.301 2.444 -0.740) 2.572 30.692 ( -0.337 -3.058 4.177) 5.187 31.894 ( 9.994 13.834 10.074) 19.818 33.336 ( 3.919 -16.998 -10.157) 20.186 ======================= Grid point 426 (206/227) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 15.806 1.835 -4.163) 16.447 2.598 ( 7.048 -1.726 -0.721) 7.292 2.815 ( 8.328 17.074 -7.429) 20.397 4.205 ( 10.141 2.404 -2.585) 10.738 4.391 ( 4.069 -8.383 4.278) 10.254 4.888 ( 17.296 -2.621 -20.802) 27.180 5.287 ( -3.734 -1.329 8.278) 9.178 5.608 ( 3.913 -0.070 2.172) 4.476 5.678 ( 0.876 -2.880 -2.959) 4.221 6.259 ( -6.903 -5.422 14.473) 16.927 6.426 ( 4.647 -1.101 -7.380) 8.790 6.835 ( -0.855 -1.997 -5.001) 5.453 7.642 ( 0.736 -0.811 3.971) 4.119 7.838 ( -3.218 -2.840 -2.349) 4.893 8.141 ( -10.939 3.167 -2.516) 11.663 9.029 ( 3.738 -1.294 9.083) 9.908 9.275 ( -5.085 4.638 -1.185) 6.983 9.525 ( 0.732 -0.824 0.533) 1.224 10.353 ( -0.836 -3.416 -1.286) 3.744 10.550 ( -3.485 4.776 -4.811) 7.623 10.878 ( 0.522 3.287 3.029) 4.500 11.004 ( 4.222 8.650 3.728) 10.322 13.461 ( -8.832 -2.595 20.990) 22.919 13.509 ( 13.567 -0.267 -20.088) 24.242 15.360 ( 0.283 -0.085 -0.257) 0.391 15.567 ( -4.155 1.097 -1.544) 4.566 15.665 ( -1.289 -0.133 -3.024) 3.290 16.357 ( -0.101 -1.609 -3.769) 4.099 16.668 ( 0.914 -5.271 4.072) 6.723 17.142 ( 0.292 2.653 -0.857) 2.803 18.537 ( 1.702 -3.771 -1.416) 4.373 18.893 ( 0.497 0.414 2.167) 2.262 23.339 ( 4.399 0.405 -9.581) 10.550 24.121 ( -12.502 0.291 6.111) 13.919 29.054 ( 1.160 -5.117 -0.402) 5.262 29.512 ( -0.878 2.117 -0.467) 2.339 29.802 ( 5.332 -0.066 -1.226) 5.471 29.897 ( -7.803 2.841 -3.371) 8.962 30.483 ( 2.819 2.937 0.914) 4.172 30.775 ( 3.952 -0.055 5.263) 6.582 31.913 ( 6.401 11.210 3.128) 13.283 33.514 ( -0.295 -13.454 -2.320) 13.655 ======================= Grid point 427 (207/227) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 3.399 3.538 -2.230) 5.390 2.588 ( 4.372 4.986 6.108) 9.016 2.761 ( 14.116 14.536 0.186) 20.263 4.213 ( 0.659 6.234 -1.739) 6.505 4.499 ( -3.473 -0.667 6.781) 7.648 4.981 ( 6.806 2.961 -7.962) 10.885 5.290 ( 5.978 0.336 -7.957) 9.958 5.588 ( -0.751 1.536 -2.049) 2.668 5.755 ( 0.846 -0.788 0.554) 1.282 6.330 ( -7.591 -7.393 15.208) 18.535 6.418 ( 4.524 4.425 -7.804) 10.047 6.902 ( 7.134 -2.971 -0.960) 7.787 7.693 ( 0.536 2.907 2.277) 3.731 7.789 ( -3.254 -4.044 -3.432) 6.222 7.987 ( -8.334 -6.825 -2.922) 11.161 9.110 ( 0.967 9.267 1.352) 9.415 9.214 ( 0.882 -6.999 5.451) 8.915 9.548 ( 0.145 -0.447 2.373) 2.419 10.345 ( -2.802 -2.597 -4.940) 6.245 10.456 ( -2.262 -0.122 -1.396) 2.661 10.870 ( 1.458 3.870 2.888) 5.044 10.957 ( 0.872 7.143 1.673) 7.388 13.490 ( -9.470 -0.326 19.379) 21.572 13.544 ( 11.794 1.653 -19.682) 23.005 15.368 ( 1.126 0.025 -0.475) 1.222 15.540 ( -0.048 -3.310 0.696) 3.383 15.651 ( -0.247 -0.216 -0.896) 0.954 16.361 ( 2.460 -0.744 -3.790) 4.579 16.766 ( 0.693 -3.654 3.626) 5.194 17.073 ( -3.525 2.603 -1.687) 4.696 18.580 ( 1.491 -1.555 -2.942) 3.646 18.896 ( -1.373 0.931 2.799) 3.254 23.339 ( 1.620 0.043 -1.666) 2.325 24.021 ( -7.561 -4.907 -0.684) 9.040 29.144 ( 3.358 -3.211 0.457) 4.668 29.491 ( 0.138 0.923 1.899) 2.116 29.723 ( -6.852 1.884 -2.585) 7.562 29.894 ( 4.336 -1.903 1.141) 4.871 30.478 ( 1.722 3.757 -0.598) 4.176 30.871 ( 4.248 2.127 6.583) 8.118 31.852 ( 4.459 10.217 -4.247) 11.929 33.603 ( -4.891 -7.338 1.408) 8.930 ======================= Grid point 428 (208/227) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -5.625 4.742 8.592) 11.311 2.763 ( 11.944 19.783 9.535) 24.998 2.823 ( 19.415 5.860 5.813) 21.097 4.044 ( -10.796 7.050 -1.769) 13.015 4.405 ( -8.436 8.766 5.914) 13.527 4.885 ( -5.937 7.287 1.666) 9.545 5.325 ( 3.333 -0.503 -13.557) 13.970 5.518 ( 2.674 5.082 -8.365) 10.146 5.700 ( -2.881 4.167 -1.151) 5.196 6.258 ( -5.723 3.932 -4.908) 8.503 6.534 ( 2.441 -4.936 14.395) 15.412 7.052 ( 8.459 -1.761 -2.621) 9.029 7.573 ( -4.519 4.316 -1.309) 6.384 7.809 ( 0.042 -1.341 -3.775) 4.006 8.072 ( 1.953 -16.020 1.711) 16.229 9.034 ( 3.192 7.769 2.449) 8.749 9.369 ( 2.843 -8.633 -3.003) 9.572 9.576 ( -1.945 -0.443 8.150) 8.391 10.300 ( -1.979 -3.139 -4.940) 6.179 10.432 ( -4.050 -4.043 -0.420) 5.738 10.871 ( 2.374 3.070 1.732) 4.250 10.912 ( 0.109 3.092 2.695) 4.103 13.469 ( -9.359 2.072 16.688) 19.245 13.531 ( 9.413 3.595 -18.391) 20.971 15.391 ( 2.287 0.027 0.151) 2.292 15.620 ( 1.951 0.079 0.337) 1.982 15.665 ( 1.560 -5.682 2.137) 6.268 16.396 ( 5.169 0.015 -3.109) 6.032 16.807 ( -0.103 2.434 1.715) 2.980 16.968 ( -7.425 -1.677 -1.471) 7.753 18.577 ( 1.979 1.375 -4.629) 5.219 18.865 ( -3.892 1.879 3.542) 5.588 23.368 ( -0.632 -0.946 6.670) 6.766 24.001 ( -3.378 -9.272 -7.791) 12.573 29.215 ( 4.994 2.790 0.580) 5.750 29.513 ( 0.589 -0.587 1.754) 1.941 29.618 ( -4.366 -0.338 -0.015) 4.379 30.001 ( 2.124 -5.064 1.511) 5.696 30.437 ( -0.253 3.314 -0.118) 3.326 30.912 ( -2.171 1.807 4.571) 5.373 31.785 ( 12.266 11.327 -6.032) 17.752 33.569 ( -9.716 -1.866 3.496) 10.494 ======================= Grid point 429 (209/227) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 5.361 3.135 20.515) 21.435 2.712 ( 12.331 25.336 7.286) 29.104 3.118 ( 20.059 7.188 14.723) 25.899 3.718 ( -16.093 9.411 -3.341) 18.940 4.110 ( -16.871 15.783 3.264) 23.332 4.672 ( -7.584 8.788 -6.739) 13.422 5.165 ( -10.777 3.869 1.367) 11.532 5.324 ( -6.572 14.255 -7.605) 17.442 5.693 ( 6.647 -3.699 -9.217) 11.951 6.118 ( -3.419 -0.811 -7.231) 8.040 6.692 ( 1.028 -0.064 12.155) 12.198 7.079 ( -0.617 0.143 -6.884) 6.913 7.538 ( 1.939 -1.474 -2.337) 3.376 7.719 ( -1.679 7.254 -5.712) 9.384 8.463 ( 12.673 -19.893 11.649) 26.306 9.057 ( 7.765 4.107 2.394) 9.105 9.406 ( 0.844 -1.640 -11.259) 11.409 9.660 ( -4.118 -9.168 11.611) 15.357 10.300 ( -0.589 -3.524 -1.458) 3.859 10.440 ( -4.555 -7.816 -0.023) 9.047 10.894 ( 3.641 1.402 -0.098) 3.903 10.924 ( 0.077 -0.453 4.163) 4.188 13.412 ( -9.039 3.892 15.851) 18.658 13.471 ( 7.642 5.178 -18.043) 20.267 15.433 ( 2.892 0.319 1.145) 3.127 15.604 ( -0.243 1.075 -1.894) 2.191 15.841 ( 6.185 -6.433 4.640) 10.058 16.471 ( 7.376 0.079 -1.508) 7.529 16.699 ( -6.490 5.852 -2.191) 9.009 16.891 ( -6.923 -2.481 -0.087) 7.355 18.547 ( 2.748 3.585 -4.483) 6.364 18.777 ( -6.394 3.947 2.819) 8.025 23.451 ( -0.540 -2.612 13.465) 13.727 24.014 ( -1.886 -11.367 -14.754) 18.721 29.236 ( 6.125 6.872 0.299) 9.210 29.523 ( 0.007 1.316 -0.378) 1.369 29.595 ( -2.967 -1.986 3.309) 4.868 30.024 ( -4.274 0.360 -5.052) 6.627 30.443 ( 0.753 -3.379 4.282) 5.507 30.824 ( -8.986 -0.345 0.143) 8.994 31.924 ( 27.331 8.591 -0.923) 28.664 33.415 ( -15.531 2.023 5.588) 16.630 ======================= Grid point 430 (210/227) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 18.679 29.522 6.368) 35.510 2.716 ( 5.932 2.103 27.002) 27.726 3.279 ( -12.252 11.970 -10.169) 19.920 3.464 ( 19.348 13.770 21.827) 32.255 3.601 ( -24.637 9.377 -4.457) 26.735 4.320 ( -12.767 12.589 -16.632) 24.456 5.005 ( -8.493 4.830 6.219) 11.582 5.017 ( -4.997 7.552 -4.704) 10.205 5.784 ( 5.910 -3.371 -2.359) 7.202 6.043 ( -4.663 -4.913 -10.905) 12.838 6.753 ( 1.781 4.302 8.493) 9.686 6.984 ( -4.546 2.415 -6.395) 8.209 7.510 ( 3.963 6.207 -6.846) 10.055 7.612 ( -1.878 1.176 0.056) 2.216 8.913 ( 8.973 -4.862 10.754) 14.825 9.193 ( 0.650 -1.558 0.538) 1.772 9.417 ( 13.181 -10.977 -3.606) 17.528 9.801 ( -6.048 -15.249 3.789) 16.836 10.353 ( 2.059 -4.150 0.474) 4.657 10.470 ( -5.431 -7.795 0.717) 9.528 10.939 ( 4.389 -0.428 -2.621) 5.130 10.968 ( -1.258 -1.871 4.856) 5.354 13.344 ( -8.563 5.011 16.905) 19.601 13.377 ( 7.090 6.001 -18.264) 20.490 15.480 ( 2.561 0.607 2.095) 3.363 15.568 ( -0.849 0.860 -2.605) 2.871 16.045 ( 8.527 -3.038 4.824) 10.257 16.472 ( -11.611 4.099 -4.879) 13.244 16.584 ( 8.038 -0.259 -0.200) 8.045 16.799 ( -6.731 0.968 0.216) 6.803 18.513 ( 3.216 4.777 -2.450) 6.259 18.634 ( -6.552 5.297 1.349) 8.532 23.617 ( 1.555 -4.568 18.747) 19.358 23.988 ( -2.789 -9.970 -20.634) 23.086 29.245 ( 6.707 7.461 0.689) 10.056 29.447 ( -3.814 6.180 -1.798) 7.482 29.626 ( -0.511 -1.940 5.525) 5.878 29.836 ( -7.711 2.987 -7.649) 11.265 30.565 ( 3.587 -5.553 1.318) 6.741 30.720 ( -7.365 -2.846 0.935) 7.950 32.326 ( 33.927 2.322 0.180) 34.007 33.144 ( -22.724 3.415 7.112) 24.055 ======================= Grid point 431 (211/227) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -1.691 26.580 -10.976) 28.807 2.539 ( 1.691 26.580 10.976) 28.807 3.235 ( -15.944 -5.291 -8.958) 19.038 3.235 ( 15.944 -5.291 8.958) 19.038 3.767 ( -19.367 13.116 -20.629) 31.187 3.767 ( 19.367 13.116 20.629) 31.187 4.914 ( 7.751 3.132 -11.505) 14.222 4.914 ( -7.751 3.132 11.505) 14.222 5.941 ( -5.089 -4.463 -8.340) 10.741 5.941 ( 5.089 -4.463 8.340) 10.741 6.784 ( -1.995 7.572 -10.067) 12.754 6.784 ( 1.995 7.572 10.067) 12.754 7.537 ( -3.683 0.777 -4.887) 6.169 7.537 ( 3.683 0.777 4.887) 6.169 9.075 ( -7.113 1.988 -4.956) 8.894 9.075 ( 7.113 1.988 4.956) 8.894 9.876 ( -10.404 -16.467 -4.058) 19.897 9.876 ( 10.404 -16.467 4.058) 19.897 10.472 ( 2.012 -5.525 -5.741) 8.218 10.472 ( -2.012 -5.525 5.741) 8.218 10.985 ( 3.854 -1.233 -4.942) 6.387 10.985 ( -3.854 -1.233 4.942) 6.387 13.284 ( 9.442 5.337 -20.775) 23.436 13.284 ( -9.442 5.337 20.775) 23.436 15.521 ( -1.180 0.600 -3.342) 3.595 15.521 ( 1.180 0.600 3.342) 3.595 16.227 ( -6.511 1.750 -8.192) 10.609 16.227 ( 6.511 1.750 8.192) 10.609 16.691 ( -2.432 0.413 -2.865) 3.781 16.691 ( 2.432 0.413 2.865) 3.781 18.497 ( 1.491 4.551 -6.247) 7.872 18.497 ( -1.491 4.551 6.247) 7.872 23.876 ( -3.105 -5.913 -24.298) 25.199 23.876 ( 3.105 -5.913 24.298) 25.199 29.259 ( -2.374 7.176 -5.044) 9.087 29.259 ( 2.374 7.176 5.044) 9.087 29.699 ( -1.795 -0.634 -6.712) 6.976 29.699 ( 1.795 -0.634 6.712) 6.976 30.683 ( 3.990 -3.436 -5.063) 7.305 30.683 ( -3.990 -3.436 5.063) 7.305 32.773 ( -6.441 1.295 -7.792) 10.192 32.773 ( 6.441 1.295 7.792) 10.192 ======================= Grid point 435 (212/227) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 18.097 -0.000 -22.272) 28.698 2.323 ( 19.577 -0.000 -6.812) 20.728 3.148 ( 16.187 -0.000 -12.701) 20.575 3.952 ( 30.321 -0.000 6.591) 31.030 4.012 ( -1.019 0.000 1.084) 1.488 4.660 ( 21.588 -0.000 -19.333) 28.979 4.966 ( 6.667 -0.000 -3.127) 7.364 5.499 ( 8.978 -0.000 3.180) 9.525 5.806 ( -3.517 0.000 -2.729) 4.451 6.154 ( -16.357 0.000 24.320) 29.309 6.327 ( 1.140 -0.000 -6.894) 6.988 6.964 ( -9.548 0.000 -10.150) 13.935 7.656 ( 6.374 -0.000 7.459) 9.812 7.689 ( -0.561 0.000 2.368) 2.434 8.546 ( -17.277 0.000 -10.308) 20.118 8.932 ( -1.545 0.000 10.760) 10.870 9.377 ( -3.630 0.000 2.064) 4.176 9.484 ( 4.137 -0.000 -4.706) 6.266 10.341 ( -2.243 0.000 -1.286) 2.585 10.758 ( -5.184 0.000 -9.871) 11.149 10.943 ( -2.397 0.000 7.754) 8.116 11.093 ( 9.113 -0.000 8.662) 12.573 13.338 ( -6.318 0.000 19.179) 20.193 13.410 ( 15.371 -0.000 -19.176) 24.576 15.362 ( -0.372 0.000 -1.148) 1.207 15.617 ( -0.590 0.000 3.955) 3.999 15.931 ( -12.772 0.000 -13.507) 18.589 16.269 ( -2.461 0.000 -1.950) 3.140 16.536 ( 4.082 -0.000 2.492) 4.783 17.126 ( 4.991 -0.000 2.198) 5.453 18.412 ( 3.643 -0.000 -4.229) 5.582 18.843 ( 2.574 -0.000 5.873) 6.413 23.368 ( 6.382 -0.000 -17.890) 18.994 24.351 ( -20.469 0.000 15.924) 25.933 28.957 ( -1.286 0.000 -2.729) 3.017 29.581 ( 1.577 -0.000 -3.300) 3.657 29.742 ( 7.292 -0.000 -2.665) 7.764 30.055 ( -6.364 0.000 -0.769) 6.410 30.509 ( -0.245 0.000 0.045) 0.249 30.650 ( 0.996 -0.000 8.095) 8.156 32.191 ( 11.792 -0.000 19.750) 23.003 33.008 ( 4.252 -0.000 -23.301) 23.686 ======================= Grid point 436 (213/227) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 15.265 0.358 -14.524) 21.073 2.606 ( 18.944 2.286 1.399) 19.132 3.177 ( 8.826 9.236 -12.107) 17.601 4.079 ( 3.764 -6.557 3.664) 8.401 4.419 ( 28.549 5.697 0.279) 29.113 4.842 ( 21.848 -0.486 -20.588) 30.024 5.119 ( 7.838 -9.321 -0.330) 12.183 5.586 ( 0.951 -0.013 1.236) 1.560 5.694 ( -4.859 1.527 -2.302) 5.590 6.128 ( -13.380 -4.089 23.214) 27.104 6.406 ( 12.291 0.352 -5.791) 13.592 6.779 ( -4.993 -2.103 -9.602) 11.025 7.643 ( -2.828 1.053 0.366) 3.039 7.734 ( -4.094 -3.981 -1.776) 5.980 8.269 ( -11.883 4.755 0.653) 12.815 8.965 ( -5.610 -2.737 11.396) 12.994 9.386 ( 0.825 2.999 4.462) 5.439 9.508 ( 3.685 -0.415 -4.943) 6.179 10.296 ( -2.818 -1.043 -1.935) 3.574 10.595 ( -7.044 -0.101 -9.406) 11.751 10.968 ( 0.035 2.416 7.831) 8.196 11.240 ( 7.609 7.419 8.049) 13.331 13.394 ( -7.090 -2.054 19.753) 21.087 13.500 ( 15.081 -0.270 -19.552) 24.693 15.359 ( 0.624 -0.037 -0.521) 0.814 15.613 ( -6.621 2.346 -4.057) 8.112 15.656 ( -4.335 -0.860 -4.937) 6.626 16.259 ( -0.636 -4.292 -3.540) 5.600 16.610 ( 3.316 -0.062 2.912) 4.413 17.180 ( 1.197 0.507 0.161) 1.310 18.452 ( 3.468 -2.223 -3.212) 5.224 18.902 ( 0.434 0.193 4.281) 4.307 23.348 ( 7.334 0.253 -15.722) 17.350 24.128 ( -20.719 0.169 10.363) 23.167 28.957 ( 1.294 -2.204 -0.666) 2.641 29.557 ( 0.212 1.275 -3.569) 3.796 29.805 ( 3.989 0.166 -2.706) 4.823 29.932 ( -7.614 0.254 -1.060) 7.692 30.551 ( 4.266 1.845 2.222) 5.151 30.762 ( 5.063 -0.708 7.135) 8.778 32.331 ( 8.007 20.188 12.151) 24.886 33.065 ( 2.265 -20.552 -11.053) 23.446 ======================= Grid point 437 (214/227) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 3.900 -3.279 -7.045) 8.694 2.794 ( 14.547 9.948 5.555) 18.478 3.121 ( 14.054 11.668 -5.880) 19.190 4.250 ( 0.910 -5.054 5.071) 7.217 4.622 ( 19.076 12.944 -5.017) 23.593 5.007 ( 18.413 0.696 -17.389) 25.336 5.306 ( 3.150 -0.890 0.846) 3.381 5.593 ( -0.933 -4.537 -3.414) 5.754 5.670 ( 4.614 -1.414 -0.375) 4.840 6.163 ( -13.118 -5.956 20.596) 25.134 6.504 ( 9.805 3.278 -6.049) 11.978 6.794 ( 6.582 -5.505 -4.454) 9.668 7.622 ( -1.786 -3.992 0.051) 4.373 7.669 ( -7.247 -6.076 -4.392) 10.427 8.046 ( -10.689 8.125 3.506) 13.877 9.023 ( -5.589 -7.514 9.825) 13.573 9.351 ( 0.240 8.381 3.455) 9.068 9.529 ( 2.258 -0.654 -3.221) 3.987 10.259 ( -3.759 -3.306 -2.917) 5.794 10.438 ( -6.630 -1.724 -7.900) 10.457 10.989 ( 1.024 4.344 6.926) 8.240 11.234 ( 3.770 13.196 2.879) 14.023 13.455 ( -8.127 -2.272 20.072) 21.774 13.569 ( 13.521 0.478 -20.068) 24.202 15.370 ( 1.208 0.112 -0.581) 1.345 15.464 ( -3.166 -2.392 -3.946) 5.596 15.656 ( 0.096 0.278 1.189) 1.225 16.297 ( 2.258 -4.288 -3.943) 6.248 16.681 ( 1.830 -1.709 3.150) 4.024 17.145 ( -2.668 2.340 -1.849) 4.001 18.513 ( 3.056 -2.965 -2.741) 5.064 18.915 ( -1.418 0.563 3.092) 3.447 23.346 ( 6.115 0.411 -11.346) 12.895 23.925 ( -16.509 -2.743 6.615) 17.996 29.037 ( 3.651 -3.952 1.948) 5.722 29.523 ( 0.366 1.334 -1.634) 2.141 29.770 ( -5.448 1.928 -1.825) 6.060 29.878 ( 1.196 -0.788 0.237) 1.452 30.588 ( 4.127 4.356 0.226) 6.005 30.886 ( 4.053 -0.414 4.627) 6.165 32.222 ( 7.300 19.518 0.796) 20.854 33.286 ( -2.534 -17.929 0.711) 18.122 ======================= Grid point 438 (215/227) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -3.178 1.989 3.822) 5.354 2.975 ( 18.528 7.204 8.414) 21.587 3.222 ( 21.055 13.580 0.611) 25.062 4.220 ( -7.619 6.441 2.726) 10.342 4.640 ( 7.796 12.567 -0.461) 14.796 5.050 ( 0.240 5.247 -4.668) 7.027 5.291 ( 8.112 -1.398 -19.925) 21.558 5.588 ( 1.100 1.928 -5.884) 6.289 5.791 ( 4.497 0.914 1.752) 4.912 6.186 ( -13.117 -8.357 14.833) 21.493 6.547 ( 8.347 5.823 -0.976) 10.224 6.969 ( 8.904 -4.925 -1.335) 10.263 7.650 ( -4.944 -4.164 -0.993) 6.540 7.680 ( -1.924 -10.223 -2.061) 10.605 7.844 ( -3.197 5.066 3.855) 7.124 9.112 ( -5.522 -10.518 5.993) 13.306 9.263 ( 0.387 9.296 3.606) 9.979 9.549 ( 1.211 -1.329 -1.665) 2.451 10.214 ( -4.244 -3.819 -4.950) 7.556 10.337 ( -5.867 -4.267 -5.392) 9.039 10.982 ( 0.074 5.243 4.560) 6.949 11.113 ( 1.884 12.446 0.220) 12.590 13.490 ( -8.608 -0.541 18.666) 20.562 13.592 ( 10.779 1.482 -19.875) 22.658 15.394 ( 2.964 0.162 -0.017) 2.968 15.518 ( 3.840 -4.509 3.153) 6.710 15.654 ( -0.224 0.876 0.353) 0.971 16.371 ( 5.482 -2.722 -3.616) 7.109 16.750 ( -0.068 -3.574 2.961) 4.642 17.021 ( -6.464 3.694 -3.437) 8.200 18.567 ( 3.142 -1.830 -3.567) 5.093 18.895 ( -3.337 0.643 3.248) 4.701 23.356 ( 3.246 0.012 -3.871) 5.052 23.810 ( -10.673 -6.114 1.358) 12.375 29.181 ( 5.951 -4.126 3.730) 8.146 29.519 ( 1.141 0.528 0.221) 1.276 29.647 ( -4.924 2.569 -1.200) 5.682 29.923 ( 1.059 -1.940 1.778) 2.836 30.565 ( 2.342 6.147 -1.664) 6.786 30.925 ( -2.663 -0.217 0.339) 2.693 32.136 ( 12.892 16.602 -1.331) 21.062 33.403 ( -7.909 -11.143 3.190) 14.032 ======================= Grid point 439 (216/227) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 5.022 3.940 14.467) 15.812 3.246 ( 17.148 3.234 6.074) 18.478 3.370 ( 23.608 21.385 7.867) 32.811 3.958 ( -11.121 12.570 1.517) 16.852 4.520 ( -2.688 16.679 3.213) 17.197 4.858 ( -8.309 6.797 -5.861) 12.231 5.266 ( -0.645 2.823 -9.230) 9.673 5.528 ( 6.834 0.472 -19.064) 20.257 5.721 ( -4.124 8.415 -0.842) 9.409 6.122 ( -13.174 -2.012 3.557) 13.793 6.661 ( 6.349 0.330 9.777) 11.662 7.061 ( 0.024 -1.464 -6.555) 6.717 7.552 ( -2.773 1.713 2.216) 3.941 7.779 ( 0.518 -4.084 -3.351) 5.308 8.016 ( 12.983 -12.711 8.360) 20.000 9.192 ( -6.450 -12.870 -1.617) 14.486 9.212 ( 2.954 7.345 5.710) 9.761 9.560 ( -1.831 -1.208 0.146) 2.199 10.179 ( -2.135 -5.140 -5.142) 7.578 10.284 ( -5.692 -5.921 -2.748) 8.660 10.939 ( -0.199 3.906 2.242) 4.508 11.026 ( 1.787 7.327 0.966) 7.603 13.484 ( -8.251 1.727 16.724) 18.729 13.565 ( 7.972 2.518 -18.804) 20.579 15.444 ( 3.843 0.583 0.587) 3.931 15.630 ( -1.172 0.752 -0.194) 1.406 15.714 ( 9.615 -3.805 6.887) 12.424 16.469 ( 7.575 -1.077 -2.923) 8.191 16.793 ( -5.340 -4.387 0.384) 6.922 16.825 ( -7.422 4.444 -2.941) 9.137 18.598 ( 4.156 0.460 -4.819) 6.380 18.843 ( -5.731 1.416 3.942) 7.099 23.397 ( 1.183 -1.567 4.426) 4.842 23.767 ( -5.936 -8.387 -5.244) 11.536 29.344 ( 7.365 -0.127 4.283) 8.520 29.536 ( 1.350 0.509 0.664) 1.588 29.566 ( -1.953 0.313 -1.306) 2.370 29.970 ( -1.783 -2.980 2.353) 4.195 30.494 ( 0.171 6.005 -0.694) 6.047 30.817 ( -8.804 0.149 -4.462) 9.872 32.204 ( 21.789 13.005 0.324) 25.377 33.370 ( -13.555 -5.265 3.287) 14.908 ======================= Grid point 440 (217/227) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 12.566 1.153 18.913) 22.736 3.329 ( 1.719 4.915 -14.425) 15.336 3.456 ( 12.363 27.955 15.091) 34.089 3.820 ( 14.797 13.145 15.572) 25.184 4.137 ( -16.353 26.027 -0.589) 30.743 4.568 ( -10.677 7.549 -14.140) 19.259 5.117 ( -5.267 6.101 3.099) 8.636 5.302 ( -8.675 12.361 -11.649) 19.072 5.704 ( 9.167 -2.964 -7.405) 12.151 5.967 ( -10.675 -1.346 -0.339) 10.765 6.795 ( 3.025 -0.156 7.930) 8.489 6.982 ( -4.113 -1.049 -5.340) 6.822 7.574 ( 4.222 1.157 0.307) 4.389 7.729 ( -2.732 3.621 -3.904) 5.985 8.554 ( 19.019 -18.706 13.371) 29.839 9.166 ( -6.319 -7.011 -7.573) 12.101 9.283 ( 4.666 -1.455 1.951) 5.263 9.521 ( -7.459 -2.728 2.188) 8.238 10.216 ( 0.602 -6.883 -2.409) 7.317 10.282 ( -4.228 -7.363 -0.499) 8.505 10.935 ( 0.646 0.744 3.066) 3.221 10.981 ( 0.946 3.318 -1.013) 3.596 13.453 ( -7.366 3.510 16.035) 17.992 13.500 ( 6.428 3.750 -17.642) 19.148 15.496 ( 3.453 0.690 1.002) 3.661 15.591 ( -1.828 0.955 -1.032) 2.306 15.980 ( 13.358 -2.136 8.091) 15.763 16.524 ( -9.103 0.243 -5.123) 10.448 16.611 ( 3.579 1.919 -3.547) 5.392 16.790 ( -5.413 -1.375 1.826) 5.876 18.613 ( 5.560 2.845 -5.169) 8.107 18.746 ( -7.390 3.269 4.295) 9.151 23.504 ( 1.361 -4.195 10.992) 11.844 23.747 ( -3.644 -8.893 -11.310) 14.842 29.424 ( 5.449 5.445 2.176) 8.005 29.537 ( -1.775 0.643 -1.158) 2.215 29.592 ( 5.504 0.021 2.675) 6.120 29.914 ( -8.425 1.586 -3.114) 9.121 30.468 ( 1.295 -0.087 4.547) 4.729 30.659 ( -7.113 -1.440 -5.447) 9.074 32.455 ( 28.012 7.284 0.655) 28.951 33.178 ( -20.547 -0.582 2.937) 20.764 ======================= Grid point 441 (218/227) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -8.632 2.510 -22.552) 24.278 3.042 ( 8.632 2.510 22.552) 24.278 3.429 ( -21.177 30.212 -10.616) 38.392 3.429 ( 21.177 30.212 10.616) 38.392 4.096 ( -19.199 12.506 -21.356) 31.322 4.096 ( 19.199 12.506 21.356) 31.322 5.036 ( 1.358 6.969 -8.979) 11.447 5.036 ( -1.358 6.969 8.979) 11.447 5.848 ( -0.774 -2.946 -7.688) 8.270 5.848 ( 0.774 -2.946 7.688) 8.270 6.891 ( -2.577 0.700 -7.346) 7.816 6.891 ( 2.577 0.700 7.346) 7.816 7.606 ( 3.879 4.226 -4.894) 7.540 7.606 ( -3.879 4.226 4.894) 7.540 9.067 ( -8.841 -7.212 -12.544) 16.957 9.067 ( 8.841 -7.212 12.544) 16.957 9.461 ( -4.765 -10.596 -1.367) 11.698 9.461 ( 4.765 -10.596 1.367) 11.698 10.320 ( 1.903 -6.973 -5.336) 8.984 10.320 ( -1.903 -6.973 5.336) 8.984 10.960 ( 0.881 -0.215 -3.040) 3.173 10.960 ( -0.881 -0.215 3.040) 3.173 13.417 ( 9.387 4.847 -21.797) 24.222 13.417 ( -9.387 4.847 21.797) 24.222 15.540 ( -1.558 0.812 -2.334) 2.922 15.540 ( 1.558 0.812 2.334) 2.922 16.255 ( -12.060 0.515 -9.058) 15.091 16.255 ( 12.060 0.515 9.058) 15.091 16.705 ( -4.218 0.382 -0.846) 4.319 16.705 ( 4.218 0.382 0.846) 4.319 18.621 ( 5.110 4.721 -7.155) 9.980 18.621 ( -5.110 4.721 7.155) 9.980 23.703 ( 0.202 -7.362 -19.399) 20.750 23.703 ( -0.202 -7.362 19.399) 20.750 29.444 ( -0.423 5.889 -5.827) 8.295 29.444 ( 0.423 5.889 5.827) 8.295 29.707 ( -7.204 2.066 -6.011) 9.607 29.707 ( 7.204 2.066 6.011) 9.607 30.578 ( -1.475 -4.106 -6.483) 7.814 30.578 ( 1.475 -4.106 6.483) 7.814 32.821 ( -7.912 2.480 -12.359) 14.883 32.821 ( 7.912 2.480 12.359) 14.883 ======================= Grid point 447 (219/227) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 4.787 -0.000 -9.239) 10.406 2.947 ( 17.965 -0.000 4.063) 18.418 3.269 ( 9.767 -0.000 -8.666) 13.057 4.150 ( 6.024 -0.000 7.517) 9.633 4.849 ( 26.641 -0.000 -20.777) 33.785 5.142 ( 8.024 -0.000 -4.057) 8.991 5.153 ( 28.562 -0.000 -0.092) 28.562 5.483 ( -8.913 0.000 -3.816) 9.696 5.682 ( 3.146 -0.000 -2.662) 4.121 6.072 ( -15.544 0.000 26.484) 30.708 6.613 ( 15.940 -0.000 -2.918) 16.205 6.653 ( 1.404 -0.000 -8.999) 9.108 7.576 ( -9.529 0.000 -3.739) 10.236 7.584 ( -3.419 0.000 -1.954) 3.938 8.177 ( -10.392 0.000 6.070) 12.035 8.907 ( -9.254 0.000 11.870) 15.051 9.466 ( 0.345 -0.000 5.140) 5.152 9.519 ( 4.329 -0.000 -7.186) 8.389 10.215 ( -4.415 0.000 -2.694) 5.172 10.407 ( -8.257 0.000 -9.483) 12.574 11.046 ( 0.527 -0.000 7.688) 7.706 11.430 ( 3.861 -0.000 4.710) 6.090 13.416 ( -7.501 0.000 19.745) 21.122 13.574 ( 14.076 -0.000 -20.194) 24.616 15.372 ( 1.120 -0.000 -0.579) 1.261 15.434 ( -4.391 0.000 -6.576) 7.908 15.659 ( 0.031 -0.000 2.470) 2.470 16.226 ( 2.588 -0.000 -2.865) 3.861 16.668 ( 2.403 -0.000 1.412) 2.787 17.174 ( -2.043 0.000 -1.482) 2.524 18.472 ( 3.895 -0.000 -2.927) 4.873 18.922 ( -1.705 0.000 3.358) 3.766 23.353 ( 8.336 -0.000 -15.782) 17.848 23.891 ( -20.188 0.000 10.215) 22.625 28.986 ( 3.582 -0.000 2.427) 4.327 29.543 ( 0.591 -0.000 -4.041) 4.084 29.823 ( 1.293 -0.000 -2.270) 2.612 29.835 ( -6.319 0.000 1.890) 6.596 30.648 ( 4.965 -0.000 0.914) 5.048 30.877 ( 4.613 -0.000 3.530) 5.809 32.737 ( 0.733 -0.000 24.478) 24.489 32.792 ( 5.326 -0.000 -21.339) 21.993 ======================= Grid point 448 (220/227) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 3.804 -1.066 1.622) 4.271 3.152 ( 12.128 5.568 4.047) 13.945 3.413 ( 17.413 2.957 -1.388) 17.716 4.301 ( 3.297 0.567 9.886) 10.437 4.976 ( 19.693 8.810 -21.214) 30.257 5.154 ( 2.558 6.050 -2.686) 7.097 5.270 ( -0.939 -1.072 -13.634) 13.708 5.583 ( 6.588 -2.875 -1.231) 7.293 5.780 ( 15.706 0.064 -1.086) 15.744 6.027 ( -17.283 -3.831 21.043) 27.499 6.665 ( 10.036 2.945 -3.163) 10.927 6.845 ( 10.996 -4.090 -0.464) 11.741 7.454 ( -6.313 -4.870 -1.924) 8.202 7.555 ( -1.693 -2.735 -0.175) 3.221 8.024 ( -9.984 5.572 5.800) 12.821 8.888 ( -9.040 -6.097 9.180) 14.254 9.451 ( -2.301 4.704 3.926) 6.545 9.529 ( 3.401 -0.346 -6.911) 7.710 10.136 ( -4.968 -1.934 -3.386) 6.316 10.239 ( -7.686 -2.775 -8.081) 11.492 11.083 ( -0.475 2.371 6.191) 6.647 11.405 ( -0.622 8.142 -2.207) 8.459 13.455 ( -8.090 -1.466 20.079) 21.697 13.612 ( 11.503 0.319 -21.165) 24.091 15.394 ( 3.989 -0.232 1.166) 4.162 15.444 ( 4.235 -1.316 2.098) 4.906 15.669 ( -0.460 0.309 1.354) 1.463 16.284 ( 4.940 -2.877 -2.219) 6.132 16.704 ( 1.155 -0.501 0.618) 1.403 17.090 ( -5.682 1.595 -3.558) 6.892 18.520 ( 4.066 -1.335 -2.620) 5.018 18.902 ( -3.593 0.047 2.482) 4.368 23.363 ( 7.658 0.305 -13.731) 15.725 23.706 ( -16.366 -2.211 10.219) 19.421 29.094 ( 5.471 -2.107 5.282) 7.891 29.528 ( 1.492 0.223 -3.075) 3.426 29.731 ( -4.677 4.012 1.232) 6.284 29.854 ( -0.769 -3.827 0.297) 3.915 30.693 ( 3.640 3.258 -1.274) 5.049 30.919 ( -0.401 -0.126 -1.809) 1.857 32.576 ( 8.164 18.466 -2.780) 20.380 33.050 ( -3.131 -16.789 7.354) 18.595 ======================= Grid point 449 (221/227) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 10.244 3.460 10.465) 15.047 3.283 ( 7.547 1.282 4.309) 8.784 3.666 ( 21.115 4.548 4.392) 22.041 4.317 ( 0.568 12.750 9.968) 16.195 4.884 ( -0.662 10.440 -6.956) 12.563 5.027 ( -1.764 7.484 -7.427) 10.690 5.270 ( 9.864 -0.610 -14.270) 17.358 5.564 ( 2.093 2.062 -13.744) 14.054 5.912 ( 3.781 6.118 -4.213) 8.335 5.977 ( -16.039 -7.083 15.709) 23.541 6.759 ( 8.893 5.226 2.891) 10.712 7.009 ( 4.432 -2.315 -1.989) 5.381 7.522 ( 3.434 -10.849 -1.082) 11.431 7.559 ( -3.726 -1.464 2.512) 4.726 7.942 ( 2.516 2.007 8.822) 9.390 8.899 ( -9.776 -9.845 3.072) 14.210 9.376 ( -2.255 5.451 5.384) 7.986 9.530 ( 2.069 -1.069 -6.652) 7.048 10.071 ( -4.124 -3.400 -4.266) 6.838 10.138 ( -6.597 -5.454 -5.285) 10.060 11.062 ( -1.311 4.627 4.043) 6.283 11.243 ( -1.542 9.151 -4.346) 10.247 13.493 ( -8.435 -0.803 19.680) 21.426 13.602 ( 9.007 0.745 -21.243) 23.085 15.461 ( 4.394 0.696 0.307) 4.459 15.626 ( 7.431 -0.899 7.730) 10.760 15.666 ( 3.212 -0.327 2.514) 4.092 16.397 ( 5.925 -4.118 -1.883) 7.457 16.720 ( -1.051 -1.275 -0.326) 1.684 16.920 ( -8.843 3.020 -4.893) 10.548 18.581 ( 4.621 -1.320 -3.001) 5.666 18.855 ( -5.263 -0.159 2.525) 5.840 23.377 ( 5.074 -0.132 -7.216) 8.823 23.609 ( -10.659 -4.469 5.827) 12.943 29.270 ( 7.127 -3.672 7.123) 10.725 29.541 ( 2.898 -0.171 -2.434) 3.788 29.624 ( -3.609 3.905 0.416) 5.333 29.889 ( -2.784 -4.277 1.800) 5.411 30.657 ( 1.465 6.117 -2.368) 6.721 30.839 ( -5.288 1.369 -5.732) 7.918 32.532 ( 14.188 13.427 -0.690) 19.546 33.176 ( -8.490 -10.071 5.565) 14.299 ======================= Grid point 450 (222/227) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 14.641 5.553 12.493) 20.032 3.324 ( -6.183 -0.794 -3.055) 6.943 3.981 ( 22.657 6.356 12.107) 26.463 4.230 ( 10.709 22.690 9.769) 26.925 4.650 ( -11.891 6.959 -3.794) 14.290 4.768 ( -7.185 16.707 -8.810) 20.207 5.279 ( 2.034 5.591 -1.424) 6.117 5.484 ( 6.076 1.783 -21.934) 22.830 5.748 ( -2.532 7.412 -5.456) 9.545 5.905 ( -16.008 -4.525 10.094) 19.459 6.834 ( 4.807 4.254 5.399) 8.388 6.983 ( -2.339 1.389 -5.425) 6.068 7.572 ( 0.265 -1.355 6.353) 6.502 7.681 ( 1.500 -7.452 -5.413) 9.331 8.211 ( 17.358 -7.785 12.253) 22.628 8.857 ( -13.923 -11.977 -4.690) 18.955 9.362 ( 1.060 3.341 8.241) 8.955 9.509 ( -0.316 -0.606 -6.739) 6.773 10.055 ( -1.003 -5.534 -3.513) 6.631 10.103 ( -4.938 -6.956 -1.832) 8.725 11.013 ( 0.474 5.000 2.541) 5.628 11.102 ( -1.669 6.059 -2.790) 6.876 13.508 ( -8.090 0.940 18.772) 20.463 13.561 ( 7.545 1.394 -20.033) 21.452 15.515 ( 3.981 0.835 0.273) 4.077 15.614 ( -2.425 0.933 0.114) 2.601 15.944 ( 15.662 -0.791 11.054) 19.186 16.483 ( -2.710 -3.460 -4.804) 6.511 16.659 ( -2.335 1.758 -4.439) 5.315 16.763 ( -5.170 -0.308 0.469) 5.201 18.643 ( 5.848 -0.179 -3.831) 6.993 18.787 ( -6.735 0.287 3.344) 7.525 23.425 ( 3.108 -2.142 0.864) 3.872 23.570 ( -5.816 -5.469 -1.123) 8.062 29.460 ( 3.843 -2.216 7.265) 8.512 29.546 ( -1.697 2.125 -0.375) 2.746 29.596 ( 8.411 -0.800 -3.352) 9.089 29.882 ( -7.483 -3.669 1.832) 8.533 30.572 ( 0.182 6.740 -0.155) 6.744 30.680 ( -5.238 3.071 -6.320) 8.764 32.646 ( 18.923 7.819 -0.017) 20.474 33.124 ( -14.433 -3.643 3.181) 15.222 ======================= Grid point 451 (223/227) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -12.545 2.304 -14.925) 19.633 3.073 ( 12.545 2.304 14.925) 19.633 4.202 ( -14.334 28.541 -9.319) 33.270 4.202 ( 14.334 28.541 9.319) 33.270 4.326 ( -17.370 5.805 -16.747) 24.817 4.326 ( 17.370 5.805 16.747) 24.817 5.251 ( -5.081 9.722 -8.687) 13.993 5.251 ( 5.081 9.722 8.687) 13.993 5.787 ( 9.996 -2.165 -8.202) 13.110 5.787 ( -9.996 -2.165 8.202) 13.110 6.890 ( -2.536 0.971 -5.046) 5.730 6.890 ( 2.536 0.971 5.046) 5.730 7.665 ( -0.537 -0.647 -8.261) 8.304 7.665 ( 0.537 -0.647 8.261) 8.304 8.721 ( -15.251 -14.772 -13.097) 24.947 8.721 ( 15.251 -14.772 13.097) 24.947 9.424 ( -1.482 1.964 -8.913) 9.246 9.424 ( 1.482 1.964 8.913) 9.246 10.135 ( 2.249 -7.639 -4.374) 9.085 10.135 ( -2.249 -7.639 4.374) 9.085 10.999 ( -0.603 3.521 -3.593) 5.067 10.999 ( 0.603 3.521 3.593) 5.067 13.507 ( 9.037 2.427 -21.522) 23.468 13.507 ( -9.037 2.427 21.522) 23.468 15.560 ( -2.282 0.873 -1.068) 2.667 15.560 ( 2.282 0.873 1.068) 2.667 16.260 ( -14.652 0.011 -10.529) 18.042 16.260 ( 14.652 0.011 10.529) 18.042 16.701 ( -5.855 -0.655 1.511) 6.083 16.701 ( 5.855 -0.655 -1.511) 6.083 18.700 ( 5.355 1.577 -6.813) 8.808 18.700 ( -5.355 1.577 6.813) 8.808 23.543 ( 4.814 -5.306 -16.801) 18.265 23.543 ( -4.814 -5.306 16.801) 18.265 29.512 ( 0.356 0.783 -2.728) 2.861 29.512 ( -0.356 0.783 2.728) 2.861 29.762 ( -11.669 0.203 -0.762) 11.695 29.762 ( 11.669 0.203 0.762) 11.695 30.546 ( -2.582 2.389 -5.257) 6.326 30.546 ( 2.582 2.389 5.257) 6.326 32.883 ( -0.769 2.318 -15.450) 15.642 32.883 ( 0.769 2.318 15.450) 15.642 ======================= Grid point 459 (224/227) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 13.805 -0.000 10.640) 17.430 3.313 ( 3.735 -0.000 1.473) 4.015 3.704 ( 18.915 -0.000 3.737) 19.280 4.477 ( 6.551 -0.000 13.578) 15.076 4.988 ( -10.395 0.000 -16.690) 19.662 5.137 ( 12.374 -0.000 -15.544) 19.867 5.296 ( 5.785 -0.000 -0.821) 5.843 5.582 ( 2.541 -0.000 -12.361) 12.620 5.881 ( -18.164 0.000 19.450) 26.613 6.000 ( 10.666 -0.000 -8.382) 13.565 6.821 ( 10.021 -0.000 0.665) 10.043 6.981 ( 7.624 -0.000 2.287) 7.959 7.380 ( 2.905 -0.000 -0.613) 2.969 7.528 ( -1.385 0.000 2.957) 3.266 7.982 ( -4.804 0.000 8.816) 10.040 8.766 ( -9.223 0.000 4.399) 10.218 9.452 ( -4.806 0.000 4.153) 6.352 9.514 ( 2.338 -0.000 -8.482) 8.799 10.027 ( -4.705 0.000 -3.195) 5.687 10.060 ( -6.278 0.000 -6.483) 9.025 11.123 ( -1.673 0.000 5.479) 5.729 11.376 ( -3.913 0.000 -7.485) 8.446 13.475 ( -7.992 0.000 20.624) 22.118 13.611 ( 9.239 -0.000 -21.747) 23.628 15.471 ( 4.489 -0.000 0.123) 4.491 15.614 ( 13.222 -0.000 11.505) 17.526 15.664 ( -1.497 0.000 0.694) 1.650 16.333 ( 5.545 -0.000 -1.480) 5.739 16.709 ( 0.139 -0.000 -1.071) 1.080 16.960 ( -8.964 0.000 -5.543) 10.539 18.560 ( 4.841 -0.000 -2.281) 5.352 18.850 ( -5.310 0.000 1.845) 5.621 23.379 ( 8.646 -0.000 -15.624) 17.857 23.552 ( -14.398 0.000 13.978) 20.067 29.220 ( 6.983 -0.000 7.640) 10.350 29.537 ( 2.812 -0.000 -3.017) 4.125 29.716 ( -5.236 0.000 3.690) 6.406 29.789 ( -2.189 0.000 -2.110) 3.041 30.741 ( 1.758 -0.000 -2.399) 2.974 30.860 ( -3.222 0.000 -5.757) 6.597 32.801 ( 12.630 -0.000 -16.083) 20.449 32.947 ( -7.801 0.000 21.611) 22.976 ======================= Grid point 460 (225/227) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 16.046 3.227 10.229) 19.301 3.319 ( -3.497 0.312 -0.420) 3.535 4.028 ( 18.608 -0.254 9.257) 20.785 4.640 ( 7.995 8.985 8.907) 14.967 4.698 ( -11.756 0.387 -7.372) 13.882 5.115 ( -0.168 7.182 -10.644) 12.841 5.365 ( 5.930 2.714 2.254) 6.901 5.510 ( 5.409 0.080 -19.612) 20.344 5.791 ( -14.413 -3.008 16.932) 22.438 5.919 ( -4.478 4.356 -12.582) 14.048 6.943 ( 6.250 2.785 2.549) 7.301 7.038 ( 1.154 2.228 -1.291) 2.821 7.492 ( 6.479 -4.936 -3.249) 8.769 7.536 ( -2.270 -1.084 5.325) 5.890 8.108 ( 9.758 -2.015 14.259) 17.395 8.649 ( -11.627 -4.434 -4.216) 13.139 9.411 ( -3.490 0.938 6.705) 7.617 9.482 ( 1.039 -1.169 -9.070) 9.204 9.961 ( -2.664 -1.976 -2.549) 4.184 9.972 ( -3.756 -3.027 -3.004) 5.682 11.121 ( -1.109 2.722 5.172) 5.949 11.238 ( -2.905 3.742 -7.480) 8.854 13.510 ( -8.014 -0.314 20.769) 22.263 13.579 ( 8.135 0.287 -21.465) 22.956 15.532 ( 4.197 0.431 -0.000) 4.219 15.634 ( -2.573 0.517 0.289) 2.640 15.936 ( 16.132 -0.009 14.073) 21.407 16.395 ( 1.037 -2.525 -4.108) 4.932 16.689 ( -1.059 0.606 -2.503) 2.785 16.771 ( -8.867 0.488 -4.144) 9.800 18.626 ( 5.685 -0.653 -2.278) 6.159 18.780 ( -6.282 -0.432 1.909) 6.580 23.397 ( 7.551 -0.346 -12.250) 14.395 23.478 ( -10.344 -1.959 11.810) 15.821 29.401 ( 7.634 -1.621 8.337) 11.420 29.572 ( 4.648 -0.650 -2.944) 5.540 29.625 ( -4.044 4.063 0.473) 5.752 29.761 ( -6.360 -5.403 -0.999) 8.404 30.714 ( 0.135 3.584 -1.678) 3.960 30.760 ( -2.759 2.207 -5.029) 6.146 32.826 ( 11.514 6.420 -5.936) 14.458 33.010 ( -8.270 -5.172 9.509) 13.622 ======================= Grid point 461 (226/227) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -11.750 3.584 -6.994) 14.136 3.154 ( 11.750 3.584 6.994) 14.136 4.378 ( -16.539 -0.314 -12.282) 20.604 4.378 ( 16.539 -0.314 12.282) 20.604 4.771 ( -12.303 16.597 -12.694) 24.248 4.771 ( 12.303 16.597 12.694) 24.248 5.435 ( 0.009 3.832 -13.947) 14.463 5.435 ( -0.009 3.832 13.947) 14.463 5.760 ( 6.877 0.511 -12.883) 14.613 5.760 ( -6.877 0.511 12.883) 14.613 6.968 ( -1.572 4.645 -3.523) 6.038 6.968 ( 1.572 4.645 3.523) 6.038 7.582 ( 2.359 -4.583 -8.292) 9.764 7.582 ( -2.359 -4.583 8.292) 9.764 8.458 ( -14.434 -6.707 -12.183) 20.043 8.458 ( 14.434 -6.707 12.183) 20.043 9.442 ( 0.508 -0.612 -9.044) 9.079 9.442 ( -0.508 -0.612 9.044) 9.079 9.976 ( 1.156 -4.726 -2.229) 5.351 9.976 ( -1.156 -4.726 2.229) 5.351 11.111 ( -0.250 4.666 -5.847) 7.485 11.111 ( 0.250 4.666 5.847) 7.485 13.540 ( 8.307 0.504 -21.216) 22.790 13.540 ( -8.307 0.504 21.216) 22.790 15.582 ( -3.194 0.789 -0.142) 3.293 15.582 ( 3.194 0.789 0.142) 3.293 16.256 ( -13.224 -0.314 -11.913) 17.802 16.256 ( 13.224 -0.314 11.913) 17.802 16.683 ( -1.473 -0.562 -0.693) 1.722 16.683 ( 1.473 -0.562 0.693) 1.722 18.707 ( 2.838 -0.561 -4.143) 5.053 18.707 ( -2.838 -0.561 4.143) 5.053 23.449 ( 8.625 -2.431 -16.121) 18.444 23.449 ( -8.625 -2.431 16.121) 18.444 29.531 ( -2.433 1.233 -3.453) 4.401 29.531 ( 2.433 1.233 3.453) 4.401 29.697 ( -8.267 -4.313 -0.664) 9.348 29.697 ( 8.267 -4.313 0.664) 9.348 30.661 ( -0.916 5.203 -2.130) 5.696 30.661 ( 0.916 5.203 2.130) 5.696 32.926 ( 7.602 1.163 -17.002) 18.660 32.926 ( -7.602 1.163 17.002) 18.660 ======================= Grid point 472 (227/227) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -10.231 -0.000 -4.907) 11.346 3.206 ( 10.231 -0.000 4.907) 11.346 4.363 ( -16.394 -0.000 -13.241) 21.073 4.363 ( 16.394 -0.000 13.241) 21.073 4.984 ( -10.944 -0.000 -14.095) 17.845 4.984 ( 10.944 0.000 14.095) 17.845 5.463 ( 5.657 -0.000 -17.082) 17.995 5.463 ( -5.657 -0.000 17.082) 17.995 5.781 ( -0.233 -0.000 -15.134) 15.136 5.781 ( 0.233 -0.000 15.134) 15.136 7.041 ( -2.372 -0.000 -1.476) 2.794 7.041 ( 2.372 -0.000 1.476) 2.794 7.516 ( 4.800 -0.000 -5.735) 7.479 7.516 ( -4.800 -0.000 5.735) 7.479 8.376 ( -13.508 -0.000 -12.578) 18.457 8.376 ( 13.508 -0.000 12.578) 18.457 9.425 ( 2.025 -0.000 -8.969) 9.194 9.425 ( -2.025 -0.000 8.969) 9.194 9.917 ( 0.148 -0.000 -0.245) 0.287 9.917 ( -0.148 -0.000 0.245) 0.287 11.177 ( -0.703 -0.000 -6.987) 7.023 11.177 ( 0.703 -0.000 6.987) 7.023 13.544 ( 7.821 -0.000 -21.212) 22.608 13.544 ( -7.821 -0.000 21.212) 22.608 15.593 ( -3.570 -0.000 0.070) 3.570 15.593 ( 3.570 -0.000 -0.070) 3.570 16.251 ( -11.195 -0.000 -12.460) 16.750 16.251 ( 11.195 -0.000 12.460) 16.750 16.676 ( 1.471 -0.000 -1.016) 1.788 16.676 ( -1.471 -0.000 1.016) 1.788 18.696 ( -6.284 -0.000 1.842) 6.549 18.696 ( 6.284 -0.000 -1.842) 6.549 23.420 ( 10.052 -0.000 -16.026) 18.918 23.420 ( -10.052 -0.000 16.026) 18.918 29.569 ( -7.859 -0.000 -7.284) 10.716 29.569 ( 7.859 -0.000 7.284) 10.716 29.614 ( 4.883 -0.000 -3.037) 5.751 29.614 ( -4.883 -0.000 3.037) 5.751 30.733 ( -0.284 -0.000 -1.095) 1.132 30.733 ( 0.284 -0.000 1.095) 1.132 32.940 ( 11.632 -0.000 -17.543) 21.049 32.940 ( -11.632 -0.000 17.543) 21.049 =================== 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 3/33600 10.0 1021.837 805.078 723.454 -0.000 371.016 -0.000 3/33600 20.0 318.340 265.766 508.679 -0.000 -8.472 -0.000 3/33600 30.0 152.069 126.814 265.200 -0.000 -24.098 -0.000 3/33600 40.0 90.730 74.457 154.439 -0.000 -17.076 -0.000 3/33600 50.0 61.948 50.287 102.312 -0.000 -12.169 -0.000 3/33600 60.0 46.098 37.154 74.298 -0.000 -9.111 -0.000 3/33600 70.0 36.349 29.144 57.505 -0.000 -7.129 -0.000 3/33600 80.0 29.859 23.846 46.575 -0.000 -5.778 -0.000 3/33600 90.0 25.276 20.123 39.000 -0.000 -4.817 -0.000 3/33600 100.0 21.887 17.383 33.490 -0.000 -4.108 -0.000 3/33600 110.0 19.290 15.292 29.324 -0.000 -3.570 -0.000 3/33600 120.0 17.242 13.646 26.076 -0.000 -3.152 -0.000 3/33600 130.0 15.587 12.320 23.479 -0.000 -2.820 -0.000 3/33600 140.0 14.225 11.229 21.358 -0.000 -2.550 -0.000 3/33600 150.0 13.085 10.318 19.597 -0.000 -2.329 -0.000 3/33600 160.0 12.117 9.545 18.111 -0.000 -2.144 -0.000 3/33600 170.0 11.287 8.881 16.842 -0.000 -1.987 -0.000 3/33600 180.0 10.567 8.306 15.747 -0.000 -1.853 -0.000 3/33600 190.0 9.937 7.803 14.791 -0.000 -1.737 -0.000 3/33600 200.0 9.381 7.359 13.951 -0.000 -1.636 -0.000 3/33600 210.0 8.888 6.964 13.206 -0.000 -1.546 -0.000 3/33600 220.0 8.447 6.611 12.542 -0.000 -1.467 -0.000 3/33600 230.0 8.050 6.294 11.945 -0.000 -1.396 -0.000 3/33600 240.0 7.691 6.008 11.406 -0.000 -1.332 -0.000 3/33600 250.0 7.365 5.747 10.917 -0.000 -1.275 -0.000 3/33600 260.0 7.068 5.510 10.470 -0.000 -1.222 -0.000 3/33600 270.0 6.796 5.292 10.062 -0.000 -1.174 -0.000 3/33600 280.0 6.545 5.092 9.686 -0.000 -1.130 -0.000 3/33600 290.0 6.314 4.907 9.339 -0.000 -1.089 -0.000 3/33600 300.0 6.100 4.736 9.018 -0.000 -1.052 -0.000 3/33600 310.0 5.901 4.578 8.719 -0.000 -1.017 -0.000 3/33600 320.0 5.716 4.430 8.441 -0.000 -0.984 -0.000 3/33600 330.0 5.543 4.292 8.181 -0.000 -0.954 -0.000 3/33600 340.0 5.381 4.163 7.938 -0.000 -0.925 -0.000 3/33600 350.0 5.229 4.041 7.710 -0.000 -0.898 -0.000 3/33600 360.0 5.086 3.927 7.495 -0.000 -0.873 -0.000 3/33600 370.0 4.951 3.820 7.292 -0.000 -0.850 -0.000 3/33600 380.0 4.824 3.719 7.101 -0.000 -0.827 -0.000 3/33600 390.0 4.703 3.623 6.920 -0.000 -0.806 -0.000 3/33600 400.0 4.589 3.532 6.748 -0.000 -0.786 -0.000 3/33600 410.0 4.480 3.446 6.585 -0.000 -0.767 -0.000 3/33600 420.0 4.377 3.364 6.430 -0.000 -0.748 -0.000 3/33600 430.0 4.278 3.286 6.283 -0.000 -0.731 -0.000 3/33600 440.0 4.185 3.212 6.142 -0.000 -0.715 -0.000 3/33600 450.0 4.095 3.141 6.008 -0.000 -0.699 -0.000 3/33600 460.0 4.009 3.074 5.879 -0.000 -0.684 -0.000 3/33600 470.0 3.928 3.009 5.757 -0.000 -0.669 -0.000 3/33600 480.0 3.849 2.947 5.639 -0.000 -0.656 -0.000 3/33600 490.0 3.774 2.888 5.526 -0.000 -0.642 -0.000 3/33600 500.0 3.701 2.831 5.418 -0.000 -0.630 -0.000 3/33600 510.0 3.632 2.776 5.314 -0.000 -0.617 -0.000 3/33600 520.0 3.565 2.724 5.214 -0.000 -0.606 -0.000 3/33600 530.0 3.500 2.673 5.118 -0.000 -0.594 -0.000 3/33600 540.0 3.438 2.624 5.025 -0.000 -0.583 -0.000 3/33600 550.0 3.379 2.578 4.936 -0.000 -0.573 -0.000 3/33600 560.0 3.321 2.532 4.850 -0.000 -0.563 -0.000 3/33600 570.0 3.265 2.489 4.767 -0.000 -0.553 -0.000 3/33600 580.0 3.211 2.447 4.686 -0.000 -0.544 -0.000 3/33600 590.0 3.159 2.406 4.609 -0.000 -0.535 -0.000 3/33600 600.0 3.109 2.367 4.534 -0.000 -0.526 -0.000 3/33600 610.0 3.060 2.329 4.461 -0.000 -0.517 -0.000 3/33600 620.0 3.013 2.292 4.391 -0.000 -0.509 -0.000 3/33600 630.0 2.967 2.256 4.323 -0.000 -0.501 -0.000 3/33600 640.0 2.922 2.222 4.257 -0.000 -0.493 -0.000 3/33600 650.0 2.879 2.188 4.193 -0.000 -0.486 -0.000 3/33600 660.0 2.837 2.156 4.131 -0.000 -0.479 -0.000 3/33600 670.0 2.797 2.124 4.070 -0.000 -0.472 -0.000 3/33600 680.0 2.757 2.093 4.012 -0.000 -0.465 -0.000 3/33600 690.0 2.719 2.064 3.955 -0.000 -0.458 -0.000 3/33600 700.0 2.682 2.035 3.900 -0.000 -0.452 -0.000 3/33600 710.0 2.645 2.007 3.846 -0.000 -0.445 -0.000 3/33600 720.0 2.610 1.979 3.794 -0.000 -0.439 -0.000 3/33600 730.0 2.576 1.953 3.743 -0.000 -0.433 -0.000 3/33600 740.0 2.542 1.927 3.694 -0.000 -0.427 -0.000 3/33600 750.0 2.509 1.902 3.645 -0.000 -0.422 -0.000 3/33600 760.0 2.478 1.877 3.598 -0.000 -0.416 -0.000 3/33600 770.0 2.447 1.853 3.553 -0.000 -0.411 -0.000 3/33600 780.0 2.416 1.830 3.508 -0.000 -0.406 -0.000 3/33600 790.0 2.387 1.807 3.465 -0.000 -0.401 -0.000 3/33600 800.0 2.358 1.785 3.422 -0.000 -0.396 -0.000 3/33600 810.0 2.330 1.763 3.381 -0.000 -0.391 -0.000 3/33600 820.0 2.303 1.742 3.340 -0.000 -0.386 -0.000 3/33600 830.0 2.276 1.722 3.301 -0.000 -0.382 -0.000 3/33600 840.0 2.250 1.702 3.262 -0.000 -0.377 -0.000 3/33600 850.0 2.224 1.682 3.225 -0.000 -0.373 -0.000 3/33600 860.0 2.199 1.663 3.188 -0.000 -0.368 -0.000 3/33600 870.0 2.175 1.644 3.152 -0.000 -0.364 -0.000 3/33600 880.0 2.151 1.626 3.117 -0.000 -0.360 -0.000 3/33600 890.0 2.127 1.608 3.082 -0.000 -0.356 -0.000 3/33600 900.0 2.104 1.590 3.049 -0.000 -0.352 -0.000 3/33600 910.0 2.082 1.573 3.016 -0.000 -0.348 -0.000 3/33600 920.0 2.060 1.556 2.984 -0.000 -0.345 -0.000 3/33600 930.0 2.038 1.540 2.952 -0.000 -0.341 -0.000 3/33600 940.0 2.017 1.524 2.921 -0.000 -0.337 -0.000 3/33600 950.0 1.997 1.508 2.891 -0.000 -0.334 -0.000 3/33600 960.0 1.977 1.492 2.861 -0.000 -0.330 -0.000 3/33600 970.0 1.957 1.477 2.832 -0.000 -0.327 -0.000 3/33600 980.0 1.937 1.462 2.804 -0.000 -0.324 -0.000 3/33600 990.0 1.918 1.448 2.776 -0.000 -0.320 -0.000 3/33600 1000.0 1.900 1.434 2.749 -0.000 -0.317 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:34:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|